lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): CCOC(=O)c1sc(N(Cc2cncn2Cc2ccc(C#N)cc2)C(=O)OC(C)(C)C)c(C#N)c1-c1ccc(Cl)cc1
InChIKey: ZABYRPJDECIZCI-UHFFFAOYSA-N
Target: Protein farnesyltransferase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49356
Assay: Inhibition of human recombinant farnesyltransferase using farnesyl pyrophosphate and Dansyl-GCVLS peptide after 15 mins by fluorescence assay
Measurement: IC50 = 290 nM (pChEMBL 6.539999961853027)
Descriptors: MW 602.12, ALogP 7.18, HBA 9, HBD 0, PSA 121.24, QED 0.2
Compound (SMILES): CCOC(=O)c1sc(N(Cc2cncn2Cc2ccc([N+](=O)[O-])cc2)C(=O)OC(C)(C)C)c(C#N)c1-c1ccc(Cl)cc1
InChIKey: DFXRNQLHOUWLNW-UHFFFAOYSA-N
Target: Protein farnesyltransferase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49356
Assay: Inhibition of human recombinant farnesyltransferase using farnesyl pyrophosphate and Dansyl-GCVLS peptide after 15 mins by fluorescence assay
Measurement: IC50 = 2100 nM (pChEMBL 5.679999828338623)
Descriptors: MW 622.1, ALogP 7.21, HBA 10, HBD 0, PSA 140.59, QED 0.11
Compound (SMILES): CCOC(=O)c1sc(N(Cc2cn(Cc3ccc(C#N)cc3)cn2)C(=O)OC(C)(C)C)c(C#N)c1-c1ccc(Cl)cc1
InChIKey: YWCUUZWIODXZPK-UHFFFAOYSA-N
Target: Protein farnesyltransferase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49356
Assay: Inhibition of human recombinant farnesyltransferase using farnesyl pyrophosphate and Dansyl-GCVLS peptide after 15 mins by fluorescence assay
Measurement: IC50 = 330 nM (pChEMBL 6.480000019073486)
Descriptors: MW 602.12, ALogP 7.18, HBA 9, HBD 0, PSA 121.24, QED 0.2
Compound (SMILES): CC(C)(C)OC(=O)N(Cc1cncn1Cc1ccc(C#N)cc1)c1sc(C(=O)O)c(-c2ccc(Cl)cc2)c1C#N
InChIKey: XRIYELGXTNWKPU-UHFFFAOYSA-N
Target: Protein farnesyltransferase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49356
Assay: Inhibition of human recombinant farnesyltransferase using farnesyl pyrophosphate and Dansyl-GCVLS peptide after 15 mins by fluorescence assay
Measurement: IC50 = 640 nM (pChEMBL 6.190000057220459)
Descriptors: MW 574.06, ALogP 6.7, HBA 8, HBD 1, PSA 132.24, QED 0.26
Compound (SMILES): CC(C)(C)OC(=O)N(Cc1cncn1Cc1ccc([N+](=O)[O-])cc1)c1sc(C(=O)O)c(-c2ccc(Cl)cc2)c1C#N
InChIKey: HPHGMOYDIRLTCA-UHFFFAOYSA-N
Target: Protein farnesyltransferase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49356
Assay: Inhibition of human recombinant farnesyltransferase using farnesyl pyrophosphate and Dansyl-GCVLS peptide after 15 mins by fluorescence assay
Measurement: IC50 = 980 nM (pChEMBL 6.010000228881836)
Descriptors: MW 594.05, ALogP 6.73, HBA 9, HBD 1, PSA 151.59, QED 0.17
Compound (SMILES): CC(C)(C)OC(=O)N(Cc1cn(Cc2ccc(C#N)cc2)cn1)c1sc(C(=O)O)c(-c2ccc(Cl)cc2)c1C#N
InChIKey: GTSDCDBHALJEJN-UHFFFAOYSA-N
Target: Protein farnesyltransferase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49356
Assay: Inhibition of human recombinant farnesyltransferase using farnesyl pyrophosphate and Dansyl-GCVLS peptide after 15 mins by fluorescence assay
Measurement: IC50 = 380 nM (pChEMBL 6.420000076293945)
Descriptors: MW 574.06, ALogP 6.7, HBA 8, HBD 1, PSA 132.24, QED 0.26
Compound (SMILES): N#Cc1ccc(Cn2cncc2CNc2scc(-c3ccc(Cl)cc3)c2C#N)cc1
InChIKey: OJPCADPVISIEDM-UHFFFAOYSA-N
Target: Protein farnesyltransferase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49356
Assay: Inhibition of human recombinant farnesyltransferase using farnesyl pyrophosphate and Dansyl-GCVLS peptide after 15 mins by fluorescence assay
Measurement: IC50 = 370 nM (pChEMBL 6.429999828338623)
Descriptors: MW 429.94, ALogP 5.67, HBA 6, HBD 1, PSA 77.43, QED 0.43
Compound (SMILES): N#Cc1c(-c2ccc(Cl)cc2)csc1NCc1cncn1Cc1ccc([N+](=O)[O-])cc1
InChIKey: BVDBXZCOEACWLX-UHFFFAOYSA-N
Target: Protein farnesyltransferase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49356
Assay: Inhibition of human recombinant farnesyltransferase using farnesyl pyrophosphate and Dansyl-GCVLS peptide after 15 mins by fluorescence assay
Measurement: IC50 = 10 nM (pChEMBL 8)
Descriptors: MW 449.92, ALogP 5.71, HBA 7, HBD 1, PSA 96.78, QED 0.29
Compound (SMILES): N#Cc1ccc(Cn2cnc(CNc3scc(-c4ccc(Cl)cc4)c3C#N)c2)cc1
InChIKey: GTWJDPOBPWEGMS-UHFFFAOYSA-N
Target: Protein farnesyltransferase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49356
Assay: Inhibition of human recombinant farnesyltransferase using farnesyl pyrophosphate and Dansyl-GCVLS peptide after 15 mins by fluorescence assay
Measurement: IC50 = 5100 nM (pChEMBL 5.289999961853027)
Descriptors: MW 429.94, ALogP 5.67, HBA 6, HBD 1, PSA 77.43, QED 0.43
Compound (SMILES): CCOC(=O)c1sc(N(Cc2cncn2Cc2ccc(C#N)cc2)Cc2cncn2Cc2ccc(C#N)cc2)c(C#N)c1-c1ccc(Cl)cc1
InChIKey: VSZUAPYSZPDEHJ-UHFFFAOYSA-N
Target: Protein farnesyltransferase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49356
Assay: Inhibition of human recombinant farnesyltransferase using farnesyl pyrophosphate and Dansyl-GCVLS peptide after 15 mins by fluorescence assay
Measurement: IC50 = 13 nM (pChEMBL 7.889999866485596)
Descriptors: MW 697.22, ALogP 7.56, HBA 11, HBD 0, PSA 136.55, QED 0.12
Compound (SMILES): CCOC(=O)c1sc(NC(=O)Cc2c[nH]cn2)c(C#N)c1-c1ccc(Cl)cc1
InChIKey: OQGKNOILXLDTOX-UHFFFAOYSA-N
Target: Protein farnesyltransferase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49356
Assay: Inhibition of human recombinant farnesyltransferase using farnesyl pyrophosphate and Dansyl-GCVLS peptide after 15 mins by fluorescence assay
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 414.87, ALogP 4.02, HBA 6, HBD 2, PSA 107.87, QED 0.59
Compound (SMILES): c1cnc2[nH]cc(CCn3cc(-c4c[nH]c5ncccc45)nn3)c2c1
InChIKey: WFWWJSRBUFKYDL-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 2/cyclin E1 (PROTEIN COMPLEX), Homo sapiens
UniProt: P24941
Assay: Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-33P]ATP
Measurement: IC50 = 7200 nM (pChEMBL 5.139999866485596)
Descriptors: MW 329.37, ALogP 2.94, HBA 5, HBD 2, PSA 88.07, QED 0.53
Compound (SMILES): c1ccc(-c2cn(CCc3c[nH]c4ncccc34)nn2)cc1
InChIKey: UXNUPQDTPWKSKA-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 2/cyclin E1 (PROTEIN COMPLEX), Homo sapiens
UniProt: P24941
Assay: Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-33P]ATP
Measurement: IC50 > 50000 nM (pChEMBL 4.301000118255615)
Descriptors: MW 289.34, ALogP 3.06, HBA 4, HBD 1, PSA 59.39, QED 0.63
Compound (SMILES): O=C(Cn1cc(-c2c[nH]c3ncccc23)nn1)c1c[nH]c2ncccc12
InChIKey: YBWKNCSMTABEKR-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 2/cyclin E1 (PROTEIN COMPLEX), Homo sapiens
UniProt: P24941
Assay: Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-33P]ATP
Measurement: IC50 = 29300 nM (pChEMBL 4.53000020980835)
Descriptors: MW 343.35, ALogP 2.58, HBA 6, HBD 2, PSA 105.14, QED 0.49
Compound (SMILES): O=C(Cn1cc(-c2ccccc2)nn1)c1c[nH]c2ncccc12
InChIKey: SQPXTVBSHRRFRQ-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 2/cyclin E1 (PROTEIN COMPLEX), Homo sapiens
UniProt: P24941
Assay: Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-33P]ATP
Measurement: IC50 > 50000 nM (pChEMBL 4.301000118255615)
Descriptors: MW 303.33, ALogP 2.7, HBA 5, HBD 1, PSA 76.46, QED 0.59
Compound (SMILES): c1cnc2[nH]cc(CCCn3cc(-c4c[nH]c5ncccc45)nn3)c2c1
InChIKey: LHTZITFSNCFCEL-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 2/cyclin E1 (PROTEIN COMPLEX), Homo sapiens
UniProt: P24941
Assay: Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-33P]ATP
Measurement: IC50 = 6100 nM (pChEMBL 5.210000038146973)
Descriptors: MW 343.39, ALogP 3.33, HBA 5, HBD 2, PSA 88.07, QED 0.51
Compound (SMILES): O=C(CCn1cc(-c2c[nH]c3ncccc23)nn1)c1c[nH]c2ncccc12
InChIKey: DXYKCEZXJRYHBE-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 2/cyclin E1 (PROTEIN COMPLEX), Homo sapiens
UniProt: P24941
Assay: Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-33P]ATP
Measurement: IC50 = 17800 nM (pChEMBL 4.75)
Descriptors: MW 357.38, ALogP 2.97, HBA 6, HBD 2, PSA 105.14, QED 0.47
Compound (SMILES): O=S(=O)(c1ccccc1)n1cc(Cn2cc(-c3c[nH]c4ncccc34)nn2)c2cccnc21
InChIKey: LIBPWVWLVFQSRS-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 2/cyclin E1 (PROTEIN COMPLEX), Homo sapiens
UniProt: P24941
Assay: Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-33P]ATP
Measurement: IC50 = 25800 nM (pChEMBL 4.590000152587891)
Descriptors: MW 455.5, ALogP 3.46, HBA 8, HBD 1, PSA 111.35, QED 0.43
Compound (SMILES): c1cnc2[nH]c(Cn3cc(-c4c[nH]c5ncccc45)nn3)cc2c1
InChIKey: JVHCULKFMKKVRL-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 2/cyclin E1 (PROTEIN COMPLEX), Homo sapiens
UniProt: P24941
Assay: Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-33P]ATP
Measurement: IC50 = 18400 nM (pChEMBL 4.739999771118164)
Descriptors: MW 315.34, ALogP 2.75, HBA 5, HBD 2, PSA 88.07, QED 0.54
Compound (SMILES): O=S(=O)(c1ccccc1)n1c(-c2cn(CCc3c[nH]c4ncccc34)nn2)cc2cccnc21
InChIKey: WHJNGVXOXIXVAO-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 2/cyclin E1 (PROTEIN COMPLEX), Homo sapiens
UniProt: P24941
Assay: Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-33P]ATP
Measurement: IC50 > 25000 nM (pChEMBL 4.6020002365112305)
Descriptors: MW 469.53, ALogP 3.65, HBA 8, HBD 1, PSA 111.35, QED 0.4
Compound (SMILES): c1cnc2[nH]c(-c3cn(CCc4c[nH]c5ncccc45)nn3)cc2c1
InChIKey: JTKUHNAZLNVMAJ-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 2/cyclin E1 (PROTEIN COMPLEX), Homo sapiens
UniProt: P24941
Assay: Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-33P]ATP
Measurement: IC50 = 30000 nM (pChEMBL 4.519999980926514)
Descriptors: MW 329.37, ALogP 2.94, HBA 5, HBD 2, PSA 88.07, QED 0.53
Compound (SMILES): O=C(Cn1cc(-c2cc3cccnc3[nH]2)nn1)c1c[nH]c2ncccc12
InChIKey: FLPBDCQBEZGBFJ-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 2/cyclin E1 (PROTEIN COMPLEX), Homo sapiens
UniProt: P24941
Assay: Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-33P]ATP
Measurement: IC50 = 9200 nM (pChEMBL 5.039999961853027)
Descriptors: MW 343.35, ALogP 2.58, HBA 6, HBD 2, PSA 105.14, QED 0.49
Compound (SMILES): O=S(=O)(c1ccccc1)n1c(-c2cn(CCCc3c[nH]c4ncccc34)nn2)cc2cccnc21
InChIKey: YZULZZBARCLHJG-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 2/cyclin E1 (PROTEIN COMPLEX), Homo sapiens
UniProt: P24941
Assay: Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-33P]ATP
Measurement: IC50 = 18000 nM (pChEMBL 4.75)
Descriptors: MW 483.56, ALogP 4.04, HBA 8, HBD 1, PSA 111.35, QED 0.37
Compound (SMILES): c1cnc2[nH]c(-c3cn(CCCc4c[nH]c5ncccc45)nn3)cc2c1
InChIKey: UVONKOCPIBQBEG-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 2/cyclin E1 (PROTEIN COMPLEX), Homo sapiens
UniProt: P24941
Assay: Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-33P]ATP
Measurement: IC50 = 8700 nM (pChEMBL 5.059999942779541)
Descriptors: MW 343.39, ALogP 3.33, HBA 5, HBD 2, PSA 88.07, QED 0.51
Compound (SMILES): O=C(CCn1cc(-c2cc3cccnc3[nH]2)nn1)c1c[nH]c2ncccc12
InChIKey: VLBPOGZUYDPDIQ-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 2/cyclin E1 (PROTEIN COMPLEX), Homo sapiens
UniProt: P24941
Assay: Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-33P]ATP
Measurement: IC50 = 3600 nM (pChEMBL 5.440000057220459)
Descriptors: MW 357.38, ALogP 2.97, HBA 6, HBD 2, PSA 105.14, QED 0.47
Compound (SMILES): O=S(=O)(c1ccccc1)n1cc(Cn2cc(-c3cc4cccnc4[nH]3)nn2)c2cccnc21
InChIKey: NFVLYONPIXFBBA-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 2/cyclin E1 (PROTEIN COMPLEX), Homo sapiens
UniProt: P24941
Assay: Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-33P]ATP
Measurement: IC50 > 25000 nM (pChEMBL 4.6020002365112305)
Descriptors: MW 455.5, ALogP 3.46, HBA 8, HBD 1, PSA 111.35, QED 0.43
Compound (SMILES): c1cnc2[nH]c(Cn3cc(-c4cc5cccnc5[nH]4)nn3)cc2c1
InChIKey: AUIXWRGNKGACOG-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 2/cyclin E1 (PROTEIN COMPLEX), Homo sapiens
UniProt: P24941
Assay: Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-33P]ATP
Measurement: IC50 = 1900 nM (pChEMBL 5.71999979019165)
Descriptors: MW 315.34, ALogP 2.75, HBA 5, HBD 2, PSA 88.07, QED 0.54
Compound (SMILES): c1cnc2[nH]cc(CCn3nncc3-c3c[nH]c4ncccc34)c2c1
InChIKey: DFSMTQHGYHRWDV-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 2/cyclin E1 (PROTEIN COMPLEX), Homo sapiens
UniProt: P24941
Assay: Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-33P]ATP
Measurement: IC50 = 9100 nM (pChEMBL 5.039999961853027)
Descriptors: MW 329.37, ALogP 2.94, HBA 5, HBD 2, PSA 88.07, QED 0.53
Compound (SMILES): O=C(Cn1nncc1-c1c[nH]c2ncccc12)c1c[nH]c2ncccc12
InChIKey: HWMJWLWDQRNHGF-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 2/cyclin E1 (PROTEIN COMPLEX), Homo sapiens
UniProt: P24941
Assay: Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-33P]ATP
Measurement: IC50 = 1100 nM (pChEMBL 5.960000038146973)
Descriptors: MW 343.35, ALogP 2.58, HBA 6, HBD 2, PSA 105.14, QED 0.49
Compound (SMILES): c1cnc2[nH]cc(CCCn3nncc3-c3c[nH]c4ncccc34)c2c1
InChIKey: WBEVWUSUHHBDCE-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 2/cyclin E1 (PROTEIN COMPLEX), Homo sapiens
UniProt: P24941
Assay: Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-33P]ATP
Measurement: IC50 = 2700 nM (pChEMBL 5.570000171661377)
Descriptors: MW 343.39, ALogP 3.33, HBA 5, HBD 2, PSA 88.07, QED 0.51
Compound (SMILES): O=C(CCn1nncc1-c1c[nH]c2ncccc12)c1c[nH]c2ncccc12
InChIKey: LAKFSEDRMBDVPX-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 2/cyclin E1 (PROTEIN COMPLEX), Homo sapiens
UniProt: P24941
Assay: Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-33P]ATP
Measurement: IC50 = 13400 nM (pChEMBL 4.869999885559082)
Descriptors: MW 357.38, ALogP 2.97, HBA 6, HBD 2, PSA 105.14, QED 0.47
Compound (SMILES): c1cnc2[nH]c(-c3cnnn3CCc3c[nH]c4ncccc34)cc2c1
InChIKey: YBFYSUDUYIDEEE-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 2/cyclin E1 (PROTEIN COMPLEX), Homo sapiens
UniProt: P24941
Assay: Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-33P]ATP
Measurement: IC50 = 27600 nM (pChEMBL 4.559999942779541)
Descriptors: MW 329.37, ALogP 2.94, HBA 5, HBD 2, PSA 88.07, QED 0.53
Compound (SMILES): O=C(Cn1nncc1-c1cc2cccnc2[nH]1)c1c[nH]c2ncccc12
InChIKey: MQCYBPXAXLKJLO-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 2/cyclin E1 (PROTEIN COMPLEX), Homo sapiens
UniProt: P24941
Assay: Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-33P]ATP
Measurement: IC50 = 3000 nM (pChEMBL 5.519999980926514)
Descriptors: MW 343.35, ALogP 2.58, HBA 6, HBD 2, PSA 105.14, QED 0.49
Compound (SMILES): c1cnc2[nH]c(-c3cnnn3CCCc3c[nH]c4ncccc34)cc2c1
InChIKey: XZHYCSATQUPVQG-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 2/cyclin E1 (PROTEIN COMPLEX), Homo sapiens
UniProt: P24941
Assay: Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-33P]ATP
Measurement: IC50 = 2000 nM (pChEMBL 5.699999809265137)
Descriptors: MW 343.39, ALogP 3.33, HBA 5, HBD 2, PSA 88.07, QED 0.51
Compound (SMILES): O=C(CCn1nncc1-c1cc2cccnc2[nH]1)c1c[nH]c2ncccc12
InChIKey: BTPDSHOSRBAEII-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 2/cyclin E1 (PROTEIN COMPLEX), Homo sapiens
UniProt: P24941
Assay: Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-33P]ATP
Measurement: IC50 = 36100 nM (pChEMBL 4.440000057220459)
Descriptors: MW 357.38, ALogP 2.97, HBA 6, HBD 2, PSA 105.14, QED 0.47
Compound (SMILES): CNc1nc(Nc2ccc(-n3cncn3)c(OC)c2)nc(-c2ccccc2)n1
InChIKey: HZFASAKJYOKIIY-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q9NZ42
Assay: Modulation of gamma secretase in human H4 cells transfected with APP751 SWE clone 8.20 mutant assessed as inhibition of amyloid beta (1 to 42) production after 19 hrs
Measurement: IC50 = 180 nM (pChEMBL 6.75)
Descriptors: MW 374.41, ALogP 2.91, HBA 9, HBD 2, PSA 102.67, QED 0.53
Compound (SMILES): CNc1nc(Cc2ccccc2)nc(Nc2ccc(-n3cnc(C)c3)c(OC)c2)n1
InChIKey: LGIGSZKPVVQDGA-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q9NZ42
Assay: Modulation of gamma secretase in human H4 cells transfected with APP751 SWE clone 8.20 mutant assessed as inhibition of amyloid beta (1 to 42) production after 19 hrs
Measurement: IC50 = 29 nM (pChEMBL 7.539999961853027)
Descriptors: MW 401.47, ALogP 3.75, HBA 8, HBD 2, PSA 89.78, QED 0.49
Compound (SMILES): Cc1cn(-c2ccc3c(c2)CCc2sc(Cc4ccccc4)nc2N3)cn1
InChIKey: ZHNDWSFRNPTACV-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q9NZ42
Assay: Modulation of gamma secretase in human H4 cells assessed as inhibition of amyloid beta (1 to 42) production
Measurement: IC50 = 35 nM (pChEMBL 7.460000038146973)
Descriptors: MW 372.5, ALogP 5.07, HBA 5, HBD 1, PSA 42.74, QED 0.55
Compound (SMILES): Cc1ncn(-c2ccc3c(c2)CCc2sc(Cc4ccccc4)nc2N3)n1
InChIKey: BIXGZXGNRYXDIM-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q9NZ42
Assay: Modulation of gamma secretase in human H4 cells assessed as inhibition of amyloid beta (1 to 42) production
Measurement: IC50 = 140 nM (pChEMBL 6.849999904632568)
Descriptors: MW 373.49, ALogP 4.47, HBA 6, HBD 1, PSA 55.63, QED 0.58
Compound (SMILES): Clc1cn(-c2ccc3c(c2)CCc2sc(Cc4ccccc4)nc2N3)cn1
InChIKey: AEUMVOPMWFWBKJ-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q9NZ42
Assay: Modulation of gamma secretase in human H4 cells assessed as inhibition of amyloid beta (1 to 42) production
Measurement: IC50 = 140 nM (pChEMBL 6.849999904632568)
Descriptors: MW 392.92, ALogP 5.42, HBA 5, HBD 1, PSA 42.74, QED 0.51
Compound (SMILES): N#Cc1ccc2c(c1)CCc1sc(Cc3ccccc3)nc1N2
InChIKey: PIIRLRCEPALJKZ-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q9NZ42
Assay: Modulation of gamma secretase in human H4 cells assessed as inhibition of amyloid beta (1 to 42) production
Measurement: IC50 = 1200 nM (pChEMBL 5.920000076293945)
Descriptors: MW 317.42, ALogP 4.45, HBA 4, HBD 1, PSA 48.71, QED 0.76
Compound (SMILES): Cc1cn(-c2ccc3c(c2)CCc2sc(Cc4ccc(F)cc4)nc2N3)cn1
InChIKey: MWURKMXQKGEUQZ-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q9NZ42
Assay: Modulation of gamma secretase in human H4 cells assessed as inhibition of amyloid beta (1 to 42) production
Measurement: IC50 = 20 nM (pChEMBL 7.699999809265137)
Descriptors: MW 390.49, ALogP 5.21, HBA 5, HBD 1, PSA 42.74, QED 0.52
Compound (SMILES): Cc1cncn1-c1ccc2c(c1)CCc1sc(Cc3ccc(F)cc3)nc1N2
InChIKey: IPVPDFKFNAWMMJ-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q9NZ42
Assay: Modulation of gamma secretase in human H4 cells assessed as inhibition of amyloid beta (1 to 42) production
Measurement: IC50 = 1800 nM (pChEMBL 5.75)
Descriptors: MW 390.49, ALogP 5.21, HBA 5, HBD 1, PSA 42.74, QED 0.52
Compound (SMILES): Cc1cc(-c2ccc3c(c2)CCc2sc(Cc4ccccc4)nc2N3)ccn1
InChIKey: GLGDBYLXQPBSPN-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q9NZ42
Assay: Modulation of gamma secretase in human H4 cells assessed as inhibition of amyloid beta (1 to 42) production
Measurement: IC50 = 50 nM (pChEMBL 7.300000190734863)
Descriptors: MW 383.52, ALogP 5.95, HBA 4, HBD 1, PSA 37.81, QED 0.48
Compound (SMILES): Cc1cc(-c2ccc3c(c2)CCc2sc(Cc4ccc(F)cc4)nc2N3)ccn1
InChIKey: VITAEXDDTRXBCC-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q9NZ42
Assay: Modulation of gamma secretase in human H4 cells assessed as inhibition of amyloid beta (1 to 42) production
Measurement: IC50 = 80 nM (pChEMBL 7.099999904632568)
Descriptors: MW 401.51, ALogP 6.09, HBA 4, HBD 1, PSA 37.81, QED 0.45
Compound (SMILES): Cc1cc(-c2ccc3c(c2)CCc2sc(Cc4ccc(F)c(F)c4)nc2N3)ccn1
InChIKey: PCMKFNFWVVOWJR-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q9NZ42
Assay: Modulation of gamma secretase in human H4 cells assessed as inhibition of amyloid beta (1 to 42) production
Measurement: IC50 = 120 nM (pChEMBL 6.920000076293945)
Descriptors: MW 419.5, ALogP 6.22, HBA 4, HBD 1, PSA 37.81, QED 0.43
Compound (SMILES): Cc1ncn(-c2ccc3c(c2)CCc2cn(Cc4ccccc4)nc2N3)n1
InChIKey: FRJIVXAVDLNZRE-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q9NZ42
Assay: Modulation of gamma secretase in human H4 cells assessed as inhibition of amyloid beta (1 to 42) production
Measurement: IC50 = 180 nM (pChEMBL 6.75)
Descriptors: MW 356.43, ALogP 3.66, HBA 6, HBD 1, PSA 60.56, QED 0.61
Compound (SMILES): Clc1cn(-c2ccc3c(c2)CCc2cn(Cc4ccccc4)nc2N3)cn1
InChIKey: GWIOSKNWHYKDKA-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q9NZ42
Assay: Modulation of gamma secretase in human H4 cells assessed as inhibition of amyloid beta (1 to 42) production
Measurement: IC50 = 40 nM (pChEMBL 7.400000095367432)
Descriptors: MW 375.86, ALogP 4.61, HBA 5, HBD 1, PSA 47.67, QED 0.57
Compound (SMILES): COc1ccc(Cc2nc3c(o2)CCc2cc(-c4ccnc(C)c4)ccc2C3=O)cc1
InChIKey: LGACBXRBHHAKSE-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q9NZ42
Assay: Modulation of gamma secretase in human H4 cells assessed as inhibition of amyloid beta (1 to 42) production
Measurement: IC50 = 300 nM (pChEMBL 6.519999980926514)
Descriptors: MW 410.47, ALogP 4.97, HBA 5, HBD 0, PSA 65.22, QED 0.48
Compound (SMILES): COc1ccc(Cc2nc3c(n2C)CCc2cc(-n4cnc(C)c4)ccc2C3=O)cc1
InChIKey: GGFWGRUHYCDYLI-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q9NZ42
Assay: Modulation of gamma secretase in human H4 cells assessed as inhibition of amyloid beta (1 to 42) production
Measurement: IC50 = 1100 nM (pChEMBL 5.960000038146973)
Descriptors: MW 412.49, ALogP 3.84, HBA 6, HBD 0, PSA 61.94, QED 0.51
Compound (SMILES): COc1ccc(Cc2nc3c(n2C)CCc2cc(-c4ccnc(C)c4)ccc2C3=O)cc1
InChIKey: SUMIJYNXFQNURM-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q9NZ42
Assay: Modulation of gamma secretase in human H4 cells assessed as inhibition of amyloid beta (1 to 42) production
Measurement: IC50 = 380 nM (pChEMBL 6.420000076293945)
Descriptors: MW 423.52, ALogP 4.72, HBA 5, HBD 0, PSA 57.01, QED 0.48
Compound (SMILES): Cc1cn(-c2ccc3c(c2)CCc2ccc(Cc4ccc(F)cc4)nc2C3=O)cn1
InChIKey: PIRCMEXOPRAHHM-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q9NZ42
Assay: Modulation of gamma secretase in human H4 cells assessed as inhibition of amyloid beta (1 to 42) production
Measurement: IC50 = 1000 nM (pChEMBL 6)
Descriptors: MW 397.45, ALogP 4.64, HBA 4, HBD 0, PSA 47.78, QED 0.51
Compound (SMILES): Cc1cn(-c2ccc3c(c2)NC(=O)c2ccc(Cc4ccccc4)nc2N3)cn1
InChIKey: GRMCXFXAFGCXTM-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q9NZ42
Assay: Modulation of gamma secretase in human H4 cells assessed as inhibition of amyloid beta (1 to 42) production
Measurement: IC50 = 50 nM (pChEMBL 7.300000190734863)
Descriptors: MW 381.44, ALogP 4.48, HBA 5, HBD 2, PSA 71.84, QED 0.55
Compound (SMILES): O=C1Nc2cc(-n3cnc(Cl)c3)ccc2Nc2nc(Cc3ccccc3)ccc21
InChIKey: HRNFQPBBICTXNQ-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q9NZ42
Assay: Modulation of gamma secretase in human H4 cells assessed as inhibition of amyloid beta (1 to 42) production
Measurement: IC50 = 190 nM (pChEMBL 6.71999979019165)
Descriptors: MW 401.86, ALogP 4.82, HBA 5, HBD 2, PSA 71.84, QED 0.52
Compound (SMILES): Cc1ncn(-c2ccc3c(c2)NC(=O)c2ccc(Cc4ccccc4)nc2N3)n1
InChIKey: BDVTZLVEUXPJQB-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q9NZ42
Assay: Modulation of gamma secretase in human H4 cells assessed as inhibition of amyloid beta (1 to 42) production
Measurement: IC50 = 460 nM (pChEMBL 6.340000152587891)
Descriptors: MW 382.43, ALogP 3.87, HBA 6, HBD 2, PSA 84.73, QED 0.56
Compound (SMILES): Cc1cn(-c2cc3c(cc2F)Nc2nc(Cc4ccccc4)ccc2C(=O)N3)cn1
InChIKey: MWDCICIYUHJDHF-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q9NZ42
Assay: Modulation of gamma secretase in human H4 cells assessed as inhibition of amyloid beta (1 to 42) production
Measurement: IC50 = 820 nM (pChEMBL 6.090000152587891)
Descriptors: MW 399.43, ALogP 4.61, HBA 5, HBD 2, PSA 71.84, QED 0.53
Compound (SMILES): Cc1cn(-c2ccc3c(c2)NC(=O)c2ccc(C(C)c4ccccc4)nc2N3)cn1
InChIKey: DLVJZWNPQHUEFZ-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q9NZ42
Assay: Modulation of gamma secretase in human H4 cells assessed as inhibition of amyloid beta (1 to 42) production
Measurement: IC50 = 100 nM (pChEMBL 7)
Descriptors: MW 395.47, ALogP 5.04, HBA 5, HBD 2, PSA 71.84, QED 0.51
Compound (SMILES): CC(c1ccccc1)c1ccc2c(n1)Nc1ccc(-n3cnc(Cl)c3)cc1NC2=O
InChIKey: HSPGPMSOFQXJKN-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q9NZ42
Assay: Modulation of gamma secretase in human H4 cells assessed as inhibition of amyloid beta (1 to 42) production
Measurement: IC50 = 200 nM (pChEMBL 6.699999809265137)
Descriptors: MW 415.88, ALogP 5.38, HBA 5, HBD 2, PSA 71.84, QED 0.47
Compound (SMILES): CNc1nc(Nc2ccc(-n3cnc(Cl)c3)c(OC)c2)nc2c1C=CCN=C2c1ccccc1
InChIKey: JCXJUPGTOXNJCK-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q9NZ42
Assay: Modulation of gamma-secretase activity (unknown origin) assessed as amyloid-beta(1-42) production by ELISA
Measurement: IC50 = 5 nM (pChEMBL 8.300000190734863)
Descriptors: MW 471.95, ALogP 4.97, HBA 8, HBD 2, PSA 89.25, QED 0.41
Compound (SMILES): COc1cc(Nc2nc3c(c(N(C)C)n2)C=CCN=C3c2ccccc2)ccc1-n1cnc(Cl)c1
InChIKey: GVZWJBACHKMERR-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q9NZ42
Assay: Modulation of gamma-secretase activity (unknown origin) assessed as amyloid-beta(1-42) production by ELISA
Measurement: IC50 = 21 nM (pChEMBL 7.679999828338623)
Descriptors: MW 485.98, ALogP 5, HBA 8, HBD 1, PSA 80.46, QED 0.41
Compound (SMILES): COc1cc(Nc2nc3c(c(N(C)C)n2)C=CCNC3c2ccccc2)ccc1-n1cnc(Cl)c1
InChIKey: KXRFLRBMOABABP-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q9NZ42
Assay: Modulation of gamma-secretase activity (unknown origin) assessed as amyloid-beta(1-42) production by ELISA
Measurement: IC50 = 36 nM (pChEMBL 7.440000057220459)
Descriptors: MW 488, ALogP 4.84, HBA 8, HBD 2, PSA 80.13, QED 0.4
Compound (SMILES): COc1cc(Nc2nc3c(c(N(C)C)n2)C=CCOC3c2ccccc2)ccc1-n1cnc(Cl)c1
InChIKey: LZOXZXDSTXEKGR-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q9NZ42
Assay: Modulation of gamma-secretase activity (unknown origin) assessed as amyloid-beta(1-42) production by ELISA
Measurement: IC50 = 56 nM (pChEMBL 7.25)
Descriptors: MW 488.98, ALogP 5.27, HBA 8, HBD 1, PSA 77.33, QED 0.4
Compound (SMILES): CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C(=O)c4ccc(OC)nc4)CC3)cc21
InChIKey: WPKGENDWZBWSCS-UHFFFAOYSA-N
Target: PI3-kinase p110-alpha/p85-alpha (PROTEIN COMPLEX), Homo sapiens
UniProt: P27986
Assay: Inhibition of human PI3K p110alpha/p85alpha by fluorescence-based immunoassay
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 454.46, ALogP 2.22, HBA 7, HBD 1, PSA 104.97, QED 0.63
Compound (SMILES): CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C(=O)c4cccnc4Cl)CC3)cc21
InChIKey: YFPGPJWFJFJKRB-UHFFFAOYSA-N
Target: PI3-kinase p110-alpha/p85-alpha (PROTEIN COMPLEX), Homo sapiens
UniProt: P27986
Assay: Inhibition of human PI3K p110alpha/p85alpha by fluorescence-based immunoassay
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 458.88, ALogP 2.87, HBA 6, HBD 1, PSA 95.74, QED 0.6
Compound (SMILES): COc1ccc(C(=O)N2CCN(c3cc4c(cc3F)c(=O)c(C(=O)O)cn4C3CC3)CC2)cn1
InChIKey: ZBTGDQJERMIKST-UHFFFAOYSA-N
Target: PI3-kinase p110-alpha/p85-alpha (PROTEIN COMPLEX), Homo sapiens
UniProt: P27986
Assay: Inhibition of human PI3K p110alpha/p85alpha by fluorescence-based immunoassay
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 466.47, ALogP 2.54, HBA 7, HBD 1, PSA 104.97, QED 0.62
Compound (SMILES): O=C(O)c1cn(C2CC2)c2cc(N3CCN(C(=O)c4cccnc4Cl)CC3)c(F)cc2c1=O
InChIKey: XZRGNFBQKATYLE-UHFFFAOYSA-N
Target: PI3-kinase p110-alpha/p85-alpha (PROTEIN COMPLEX), Homo sapiens
UniProt: P27986
Assay: Inhibition of human PI3K p110alpha/p85alpha by fluorescence-based immunoassay
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 470.89, ALogP 3.18, HBA 6, HBD 1, PSA 95.74, QED 0.59
Compound (SMILES): O=C(O)c1cn(C2CC2)c2cc(N3CCN(C(=O)c4cc(Cl)ccc4O)CC3)c(F)cc2c1=O
InChIKey: IDUQWBMGIBGNKI-UHFFFAOYSA-N
Target: PI3-kinase p110-alpha/p85-alpha (PROTEIN COMPLEX), Homo sapiens
UniProt: P27986
Assay: Inhibition of human PI3K p110alpha/p85alpha by fluorescence-based immunoassay
Measurement: IC50 = 963 nM (pChEMBL 6.019999980926514)
Descriptors: MW 485.9, ALogP 3.5, HBA 6, HBD 2, PSA 103.08, QED 0.59
Compound (SMILES): COc1ccc(C(=O)N2CCN(c3cc4c(cc3F)c(=O)c(C(=O)O)cn4C3CC3)CC2)c(O)c1
InChIKey: MSWTXGMZPIASCF-UHFFFAOYSA-N
Target: PI3-kinase p110-alpha/p85-alpha (PROTEIN COMPLEX), Homo sapiens
UniProt: P27986
Assay: Inhibition of human PI3K p110alpha/p85alpha by fluorescence-based immunoassay
Measurement: IC50 = 642 nM (pChEMBL 6.190000057220459)
Descriptors: MW 481.48, ALogP 2.85, HBA 7, HBD 2, PSA 112.31, QED 0.58
Compound (SMILES): O=C(O)c1cn(C2CC2)c2cc(N3CCN(C(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4O)CC3)c(F)cc2c1=O
InChIKey: XSDDRFBWIFPBGF-UHFFFAOYSA-N
Target: PI3-kinase p110-alpha/p85-alpha (PROTEIN COMPLEX), Homo sapiens
UniProt: P27986
Assay: Inhibition of human PI3K p110alpha/p85alpha by fluorescence-based immunoassay
Measurement: IC50 = 356 nM (pChEMBL 6.449999809265137)
Descriptors: MW 541.45, ALogP 2.66, HBA 10, HBD 2, PSA 189.36, QED 0.35
Compound (SMILES): O=C(O)c1cn(C2CC2)c2cc(N3CCN(C(=O)c4cc(Br)ccc4O)CC3)c(F)cc2c1=O
InChIKey: AMHVDPQRVZLYBK-UHFFFAOYSA-N
Target: PI3-kinase p110-alpha/p85-alpha (PROTEIN COMPLEX), Homo sapiens
UniProt: P27986
Assay: Inhibition of human PI3K p110alpha/p85alpha by fluorescence-based immunoassay
Measurement: IC50 = 894 nM (pChEMBL 6.050000190734863)
Descriptors: MW 530.35, ALogP 3.6, HBA 6, HBD 2, PSA 103.08, QED 0.53
Compound (SMILES): c1cnc2[nH]cc(CCn3cc(-c4c[nH]c5ncccc45)nn3)c2c1
InChIKey: WFWWJSRBUFKYDL-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 2/cyclin E1 (PROTEIN COMPLEX), Homo sapiens
UniProt: P24941
Assay: Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-33P]ATP
Measurement: IC50 = 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 329.37, ALogP 2.94, HBA 5, HBD 2, PSA 88.07, QED 0.53
Compound (SMILES): c1ccc(-c2cn(CCc3c[nH]c4ncccc34)nn2)cc1
InChIKey: UXNUPQDTPWKSKA-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 2/cyclin E1 (PROTEIN COMPLEX), Homo sapiens
UniProt: P24941
Assay: Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-33P]ATP
Measurement: IC50 = 100000 nM (pChEMBL 4)
Descriptors: MW 289.34, ALogP 3.06, HBA 4, HBD 1, PSA 59.39, QED 0.63
Compound (SMILES): O=C(Cn1cc(-c2c[nH]c3ncccc23)nn1)c1c[nH]c2ncccc12
InChIKey: YBWKNCSMTABEKR-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 2/cyclin E1 (PROTEIN COMPLEX), Homo sapiens
UniProt: P24941
Assay: Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-33P]ATP
Measurement: IC50 = 31622.78 nM (pChEMBL 4.5)
Descriptors: MW 343.35, ALogP 2.58, HBA 6, HBD 2, PSA 105.14, QED 0.49
Compound (SMILES): O=C(Cn1cc(-c2ccccc2)nn1)c1c[nH]c2ncccc12
InChIKey: SQPXTVBSHRRFRQ-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 2/cyclin E1 (PROTEIN COMPLEX), Homo sapiens
UniProt: P24941
Assay: Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-33P]ATP
Measurement: IC50 = 100000 nM (pChEMBL 4)
Descriptors: MW 303.33, ALogP 2.7, HBA 5, HBD 1, PSA 76.46, QED 0.59
Compound (SMILES): c1cnc2[nH]cc(CCCn3cc(-c4c[nH]c5ncccc45)nn3)c2c1
InChIKey: LHTZITFSNCFCEL-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 2/cyclin E1 (PROTEIN COMPLEX), Homo sapiens
UniProt: P24941
Assay: Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-33P]ATP
Measurement: IC50 = 6309.57 nM (pChEMBL 5.199999809265137)
Descriptors: MW 343.39, ALogP 3.33, HBA 5, HBD 2, PSA 88.07, QED 0.51
Compound (SMILES): O=C(CCn1cc(-c2c[nH]c3ncccc23)nn1)c1c[nH]c2ncccc12
InChIKey: DXYKCEZXJRYHBE-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 2/cyclin E1 (PROTEIN COMPLEX), Homo sapiens
UniProt: P24941
Assay: Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-33P]ATP
Measurement: IC50 = 19952.62 nM (pChEMBL 4.699999809265137)
Descriptors: MW 357.38, ALogP 2.97, HBA 6, HBD 2, PSA 105.14, QED 0.47
Compound (SMILES): O=S(=O)(c1ccccc1)n1cc(Cn2cc(-c3c[nH]c4ncccc34)nn2)c2cccnc21
InChIKey: LIBPWVWLVFQSRS-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 2/cyclin E1 (PROTEIN COMPLEX), Homo sapiens
UniProt: P24941
Assay: Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-33P]ATP
Measurement: IC50 = 25118.86 nM (pChEMBL 4.599999904632568)
Descriptors: MW 455.5, ALogP 3.46, HBA 8, HBD 1, PSA 111.35, QED 0.43
Compound (SMILES): c1cnc2[nH]c(Cn3cc(-c4c[nH]c5ncccc45)nn3)cc2c1
InChIKey: JVHCULKFMKKVRL-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 2/cyclin E1 (PROTEIN COMPLEX), Homo sapiens
UniProt: P24941
Assay: Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-33P]ATP
Measurement: IC50 = 19952.62 nM (pChEMBL 4.699999809265137)
Descriptors: MW 315.34, ALogP 2.75, HBA 5, HBD 2, PSA 88.07, QED 0.54
Compound (SMILES): O=S(=O)(c1ccccc1)n1c(-c2cn(CCc3c[nH]c4ncccc34)nn2)cc2cccnc21
InChIKey: WHJNGVXOXIXVAO-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 2/cyclin E1 (PROTEIN COMPLEX), Homo sapiens
UniProt: P24941
Assay: Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-33P]ATP
Measurement: IC50 = 25118.86 nM (pChEMBL 4.599999904632568)
Descriptors: MW 469.53, ALogP 3.65, HBA 8, HBD 1, PSA 111.35, QED 0.4
Compound (SMILES): c1cnc2[nH]c(-c3cn(CCc4c[nH]c5ncccc45)nn3)cc2c1
InChIKey: JTKUHNAZLNVMAJ-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 2/cyclin E1 (PROTEIN COMPLEX), Homo sapiens
UniProt: P24941
Assay: Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-33P]ATP
Measurement: IC50 = 31622.78 nM (pChEMBL 4.5)
Descriptors: MW 329.37, ALogP 2.94, HBA 5, HBD 2, PSA 88.07, QED 0.53
Compound (SMILES): O=C(Cn1cc(-c2cc3cccnc3[nH]2)nn1)c1c[nH]c2ncccc12
InChIKey: FLPBDCQBEZGBFJ-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 2/cyclin E1 (PROTEIN COMPLEX), Homo sapiens
UniProt: P24941
Assay: Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-33P]ATP
Measurement: IC50 = 10000 nM (pChEMBL 5)
Descriptors: MW 343.35, ALogP 2.58, HBA 6, HBD 2, PSA 105.14, QED 0.49
Compound (SMILES): O=S(=O)(c1ccccc1)n1c(-c2cn(CCCc3c[nH]c4ncccc34)nn2)cc2cccnc21
InChIKey: YZULZZBARCLHJG-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 2/cyclin E1 (PROTEIN COMPLEX), Homo sapiens
UniProt: P24941
Assay: Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-33P]ATP
Measurement: IC50 = 19952.62 nM (pChEMBL 4.699999809265137)
Descriptors: MW 483.56, ALogP 4.04, HBA 8, HBD 1, PSA 111.35, QED 0.37
Compound (SMILES): c1cnc2[nH]c(-c3cn(CCCc4c[nH]c5ncccc45)nn3)cc2c1
InChIKey: UVONKOCPIBQBEG-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 2/cyclin E1 (PROTEIN COMPLEX), Homo sapiens
UniProt: P24941
Assay: Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-33P]ATP
Measurement: IC50 = 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 343.39, ALogP 3.33, HBA 5, HBD 2, PSA 88.07, QED 0.51
Compound (SMILES): O=C(CCn1cc(-c2cc3cccnc3[nH]2)nn1)c1c[nH]c2ncccc12
InChIKey: VLBPOGZUYDPDIQ-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 2/cyclin E1 (PROTEIN COMPLEX), Homo sapiens
UniProt: P24941
Assay: Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-33P]ATP
Measurement: IC50 = 3981.07 nM (pChEMBL 5.400000095367432)
Descriptors: MW 357.38, ALogP 2.97, HBA 6, HBD 2, PSA 105.14, QED 0.47
Compound (SMILES): O=S(=O)(c1ccccc1)n1cc(Cn2cc(-c3cc4cccnc4[nH]3)nn2)c2cccnc21
InChIKey: NFVLYONPIXFBBA-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 2/cyclin E1 (PROTEIN COMPLEX), Homo sapiens
UniProt: P24941
Assay: Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-33P]ATP
Measurement: IC50 = 25118.86 nM (pChEMBL 4.599999904632568)
Descriptors: MW 455.5, ALogP 3.46, HBA 8, HBD 1, PSA 111.35, QED 0.43
Compound (SMILES): c1cnc2[nH]c(Cn3cc(-c4cc5cccnc5[nH]4)nn3)cc2c1
InChIKey: AUIXWRGNKGACOG-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 2/cyclin E1 (PROTEIN COMPLEX), Homo sapiens
UniProt: P24941
Assay: Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-33P]ATP
Measurement: IC50 = 1995.26 nM (pChEMBL 5.699999809265137)
Descriptors: MW 315.34, ALogP 2.75, HBA 5, HBD 2, PSA 88.07, QED 0.54
Compound (SMILES): c1cnc2[nH]cc(CCn3nncc3-c3c[nH]c4ncccc34)c2c1
InChIKey: DFSMTQHGYHRWDV-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 2/cyclin E1 (PROTEIN COMPLEX), Homo sapiens
UniProt: P24941
Assay: Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-33P]ATP
Measurement: IC50 = 10000 nM (pChEMBL 5)
Descriptors: MW 329.37, ALogP 2.94, HBA 5, HBD 2, PSA 88.07, QED 0.53
Compound (SMILES): O=C(Cn1nncc1-c1c[nH]c2ncccc12)c1c[nH]c2ncccc12
InChIKey: HWMJWLWDQRNHGF-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 2/cyclin E1 (PROTEIN COMPLEX), Homo sapiens
UniProt: P24941
Assay: Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-33P]ATP
Measurement: IC50 = 1000 nM (pChEMBL 6)
Descriptors: MW 343.35, ALogP 2.58, HBA 6, HBD 2, PSA 105.14, QED 0.49
Compound (SMILES): c1cnc2[nH]cc(CCCn3nncc3-c3c[nH]c4ncccc34)c2c1
InChIKey: WBEVWUSUHHBDCE-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 2/cyclin E1 (PROTEIN COMPLEX), Homo sapiens
UniProt: P24941
Assay: Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-33P]ATP
Measurement: IC50 = 2511.89 nM (pChEMBL 5.599999904632568)
Descriptors: MW 343.39, ALogP 3.33, HBA 5, HBD 2, PSA 88.07, QED 0.51
Compound (SMILES): O=C(CCn1nncc1-c1c[nH]c2ncccc12)c1c[nH]c2ncccc12
InChIKey: LAKFSEDRMBDVPX-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 2/cyclin E1 (PROTEIN COMPLEX), Homo sapiens
UniProt: P24941
Assay: Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-33P]ATP
Measurement: IC50 = 12589.25 nM (pChEMBL 4.900000095367432)
Descriptors: MW 357.38, ALogP 2.97, HBA 6, HBD 2, PSA 105.14, QED 0.47
Compound (SMILES): c1cnc2[nH]c(-c3cnnn3CCc3c[nH]c4ncccc34)cc2c1
InChIKey: YBFYSUDUYIDEEE-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 2/cyclin E1 (PROTEIN COMPLEX), Homo sapiens
UniProt: P24941
Assay: Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-33P]ATP
Measurement: IC50 = 25118.86 nM (pChEMBL 4.599999904632568)
Descriptors: MW 329.37, ALogP 2.94, HBA 5, HBD 2, PSA 88.07, QED 0.53
Compound (SMILES): O=C(Cn1nncc1-c1cc2cccnc2[nH]1)c1c[nH]c2ncccc12
InChIKey: MQCYBPXAXLKJLO-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 2/cyclin E1 (PROTEIN COMPLEX), Homo sapiens
UniProt: P24941
Assay: Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-33P]ATP
Measurement: IC50 = 3162.28 nM (pChEMBL 5.5)
Descriptors: MW 343.35, ALogP 2.58, HBA 6, HBD 2, PSA 105.14, QED 0.49
Compound (SMILES): c1cnc2[nH]c(-c3cnnn3CCCc3c[nH]c4ncccc34)cc2c1
InChIKey: XZHYCSATQUPVQG-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 1/cyclin B1 (PROTEIN COMPLEX), Homo sapiens
UniProt: P14635
Assay: Inhibition of CDK1/Cyclin B (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-33P]ATP
Measurement: IC50 = 11500 nM (pChEMBL 4.940000057220459)
Descriptors: MW 343.39, ALogP 3.33, HBA 5, HBD 2, PSA 88.07, QED 0.51
Compound (SMILES): O=C(CCn1nncc1-c1cc2cccnc2[nH]1)c1c[nH]c2ncccc12
InChIKey: BTPDSHOSRBAEII-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 2/cyclin E1 (PROTEIN COMPLEX), Homo sapiens
UniProt: P24941
Assay: Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-33P]ATP
Measurement: IC50 = 31622.78 nM (pChEMBL 4.5)
Descriptors: MW 357.38, ALogP 2.97, HBA 6, HBD 2, PSA 105.14, QED 0.47
Compound (SMILES): CNc1nc(Cc2ccccc2)nc(Nc2ccc(-n3cnc(C)c3)c(OC)c2)n1
InChIKey: LGIGSZKPVVQDGA-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q9NZ42
Assay: Modulation of gamma-secretase in human H4 cells expressing APP Swedish mutant assessed as inhibition of amyloid beta (1 to 42 residues) production
Measurement: EC50 = 29 nM (pChEMBL 7.539999961853027)
Descriptors: MW 401.47, ALogP 3.75, HBA 8, HBD 2, PSA 89.78, QED 0.49
Compound (SMILES): c1cnc2[nH]c(-c3cnnn3CCCc3c[nH]c4ncccc34)cc2c1
InChIKey: XZHYCSATQUPVQG-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 4/cyclin D1 (PROTEIN COMPLEX), Homo sapiens
UniProt: P11802
Assay: Inhibition of CDK4/Cyclin D1 (unknown origin) using RPPTLSPIPHIPR peptide as substrate in presence of [gamma-33P]ATP
Measurement: IC50 = 9000 nM (pChEMBL 5.050000190734863)
Descriptors: MW 343.39, ALogP 3.33, HBA 5, HBD 2, PSA 88.07, QED 0.51
Compound (SMILES): c1cnc2[nH]c(-c3cnnn3CCCc3c[nH]c4ncccc34)cc2c1
InChIKey: XZHYCSATQUPVQG-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 5/CDK5 activator 1 (PROTEIN COMPLEX), Homo sapiens
UniProt: Q00535
Assay: Inhibition of CDK5/p35NCK (unknown origin) using histone H1 as substrate in presence of [gamma-33P]ATP
Measurement: IC50 = 10700 nM (pChEMBL 4.96999979019165)
Descriptors: MW 343.39, ALogP 3.33, HBA 5, HBD 2, PSA 88.07, QED 0.51
Compound (SMILES): CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C(=O)c4ccc(OC)nc4)CC3)cc21
InChIKey: WPKGENDWZBWSCS-UHFFFAOYSA-N
Target: Phosphatidylinositol 3-kinase regulatory subunit beta/Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (PROTEIN COMPLEX), Homo sapiens
UniProt: P42338
Assay: Inhibition of human PI3K p110beta/p85beta by fluorescence-based immunoassay
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 454.46, ALogP 2.22, HBA 7, HBD 1, PSA 104.97, QED 0.63
Compound (SMILES): CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C(=O)c4cccnc4Cl)CC3)cc21
InChIKey: YFPGPJWFJFJKRB-UHFFFAOYSA-N
Target: Phosphatidylinositol 3-kinase regulatory subunit beta/Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (PROTEIN COMPLEX), Homo sapiens
UniProt: P42338
Assay: Inhibition of human PI3K p110beta/p85beta by fluorescence-based immunoassay
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 458.88, ALogP 2.87, HBA 6, HBD 1, PSA 95.74, QED 0.6
Compound (SMILES): COc1ccc(C(=O)N2CCN(c3cc4c(cc3F)c(=O)c(C(=O)O)cn4C3CC3)CC2)cn1
InChIKey: ZBTGDQJERMIKST-UHFFFAOYSA-N
Target: Phosphatidylinositol 3-kinase regulatory subunit beta/Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (PROTEIN COMPLEX), Homo sapiens
UniProt: P42338
Assay: Inhibition of human PI3K p110beta/p85beta by fluorescence-based immunoassay
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 466.47, ALogP 2.54, HBA 7, HBD 1, PSA 104.97, QED 0.62
Compound (SMILES): O=C(O)c1cn(C2CC2)c2cc(N3CCN(C(=O)c4cccnc4Cl)CC3)c(F)cc2c1=O
InChIKey: XZRGNFBQKATYLE-UHFFFAOYSA-N
Target: Phosphatidylinositol 3-kinase regulatory subunit beta/Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (PROTEIN COMPLEX), Homo sapiens
UniProt: P42338
Assay: Inhibition of human PI3K p110beta/p85beta by fluorescence-based immunoassay
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 470.89, ALogP 3.18, HBA 6, HBD 1, PSA 95.74, QED 0.59
Compound (SMILES): O=C(O)c1cn(C2CC2)c2cc(N3CCN(C(=O)c4cc(Cl)ccc4O)CC3)c(F)cc2c1=O
InChIKey: IDUQWBMGIBGNKI-UHFFFAOYSA-N
Target: Phosphatidylinositol 3-kinase regulatory subunit beta/Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (PROTEIN COMPLEX), Homo sapiens
UniProt: P42338
Assay: Inhibition of human PI3K p110beta/p85beta by fluorescence-based immunoassay
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 485.9, ALogP 3.5, HBA 6, HBD 2, PSA 103.08, QED 0.59
Compound (SMILES): COc1ccc(C(=O)N2CCN(c3cc4c(cc3F)c(=O)c(C(=O)O)cn4C3CC3)CC2)c(O)c1
InChIKey: MSWTXGMZPIASCF-UHFFFAOYSA-N
Target: Phosphatidylinositol 3-kinase regulatory subunit beta/Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (PROTEIN COMPLEX), Homo sapiens
UniProt: P42338
Assay: Inhibition of human PI3K p110beta/p85beta by fluorescence-based immunoassay
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 481.48, ALogP 2.85, HBA 7, HBD 2, PSA 112.31, QED 0.58
Compound (SMILES): O=C(O)c1cn(C2CC2)c2cc(N3CCN(C(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4O)CC3)c(F)cc2c1=O
InChIKey: XSDDRFBWIFPBGF-UHFFFAOYSA-N
Target: Phosphatidylinositol 3-kinase regulatory subunit beta/Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (PROTEIN COMPLEX), Homo sapiens
UniProt: P42338
Assay: Inhibition of human PI3K p110beta/p85beta by fluorescence-based immunoassay
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 541.45, ALogP 2.66, HBA 10, HBD 2, PSA 189.36, QED 0.35
Compound (SMILES): O=C(O)c1cn(C2CC2)c2cc(N3CCN(C(=O)c4cc(Br)ccc4O)CC3)c(F)cc2c1=O
InChIKey: AMHVDPQRVZLYBK-UHFFFAOYSA-N
Target: Phosphatidylinositol 3-kinase regulatory subunit beta/Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (PROTEIN COMPLEX), Homo sapiens
UniProt: P42338
Assay: Inhibition of human PI3K p110beta/p85beta by fluorescence-based immunoassay
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 530.35, ALogP 3.6, HBA 6, HBD 2, PSA 103.08, QED 0.53
Compound (SMILES): c1cnc2[nH]c(-c3cnnn3CCCc3c[nH]c4ncccc34)cc2c1
InChIKey: XZHYCSATQUPVQG-UHFFFAOYSA-N
Target: CDK7/Cyclin H/MNAT1 (PROTEIN COMPLEX), Homo sapiens
UniProt: P51946
Assay: Inhibition of CDK7/Cyclin H/MAT1 (unknown origin) using (YSPTSPS)2KK peptide as substrate in presence of [gamma-33P]ATP
Measurement: IC50 > 50000 nM (pChEMBL 4.301000118255615)
Descriptors: MW 343.39, ALogP 3.33, HBA 5, HBD 2, PSA 88.07, QED 0.51