lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): CCc1cc2c(cc1NC(=O)N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O
InChIKey: AOAXUGGDGDGBTP-UHFFFAOYSA-N
Target: ALK tyrosine kinase receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UM73
Assay: Inhibition of recombinant ALK (unknown origin) using poly (Glu, Tyr)4:1 substrate incubated for 60 mins by ELISA
Measurement: IC50 = 32 nM (pChEMBL 7.5)
Descriptors: MW 525.65, ALogP 4.8, HBA 5, HBD 2, PSA 101.46, QED 0.51
Compound (SMILES): CCc1cc2c(cc1NC(=O)N1CCC(C(C)(C)O)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O
InChIKey: FBLGPCBAQNJRKE-UHFFFAOYSA-N
Target: ALK tyrosine kinase receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UM73
Assay: Inhibition of recombinant ALK (unknown origin) using poly (Glu, Tyr)4:1 substrate incubated for 60 mins by ELISA
Measurement: IC50 = 21 nM (pChEMBL 7.679999828338623)
Descriptors: MW 498.63, ALogP 5.49, HBA 4, HBD 3, PSA 109.22, QED 0.44
Compound (SMILES): CCc1cc2c(cc1NC(=O)C1CCn3c(nnc3C(F)(F)F)C1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O
InChIKey: UHQWTERDVQXMIQ-UHFFFAOYSA-N
Target: ALK tyrosine kinase receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UM73
Assay: Inhibition of recombinant ALK (unknown origin) using poly (Glu, Tyr)4:1 substrate incubated for 60 mins by ELISA
Measurement: IC50 = 38 nM (pChEMBL 7.420000076293945)
Descriptors: MW 546.55, ALogP 5.28, HBA 6, HBD 2, PSA 116.46, QED 0.36
Compound (SMILES): CCc1cc2c(cc1NC(=O)N1CC(N3CCOCC3)C1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O
InChIKey: UMLDQPBOEPOOON-UHFFFAOYSA-N
Target: ALK tyrosine kinase receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UM73
Assay: Inhibition of recombinant ALK (unknown origin) using poly (Glu, Tyr)4:1 substrate incubated for 60 mins by ELISA
Measurement: IC50 = 381 nM (pChEMBL 6.420000076293945)
Descriptors: MW 497.6, ALogP 4.02, HBA 5, HBD 2, PSA 101.46, QED 0.57
Compound (SMILES): CCc1cc2c(cc1NC(=O)N1C[C@@H]3C(CO)[C@@H]3C1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O
InChIKey: JJJLEQQPLIIXBW-YOFSQIOKSA-N
Target: ALK tyrosine kinase receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UM73
Assay: Inhibition of recombinant ALK (unknown origin) using poly (Glu, Tyr)4:1 substrate incubated for 60 mins by ELISA
Measurement: IC50 = 182 nM (pChEMBL 6.739999771118164)
Descriptors: MW 468.56, ALogP 4.17, HBA 4, HBD 3, PSA 109.22, QED 0.54
Compound (SMILES): CCc1cc2c(cc1NC(=O)CN1C[C@@H]3C(CO)[C@@H]3C1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O
InChIKey: ZNHLAVUDPKFTHR-WCRBZPEASA-N
Target: ALK tyrosine kinase receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UM73
Assay: Inhibition of recombinant ALK (unknown origin) using poly (Glu, Tyr)4:1 substrate incubated for 60 mins by ELISA
Measurement: IC50 = 23 nM (pChEMBL 7.639999866485596)
Descriptors: MW 482.58, ALogP 3.58, HBA 5, HBD 3, PSA 109.22, QED 0.52
Compound (SMILES): CCc1cc2c(cc1NC(=O)CN1CC3CN(C)CC3C1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O
InChIKey: BFZZSRLJILJJFW-UHFFFAOYSA-N
Target: ALK tyrosine kinase receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UM73
Assay: Inhibition of recombinant ALK (unknown origin) using poly (Glu, Tyr)4:1 substrate incubated for 60 mins by ELISA
Measurement: IC50 = 24 nM (pChEMBL 7.619999885559082)
Descriptors: MW 495.63, ALogP 3.9, HBA 5, HBD 2, PSA 92.23, QED 0.57
Compound (SMILES): C[C@@H](Oc1cc(-c2ccn(C3CCNCC3)n2)cnc1N)c1c(Cl)ccc(F)c1Cl
InChIKey: CCASRZWPCOLUMW-GFCCVEGCSA-N
Target: NPM/ALK (Nucleophosmin/ALK tyrosine kinase receptor) (CHIMERIC PROTEIN), Homo sapiens
UniProt: P06748
Assay: Inhibition of NMP-ALK (unknown origin) expressed in mouse BaF3 cells assessed as reduction in cell proliferation incubated for 2 to 3 days by Bright-Glo luciferase assay
Measurement: IC50 = 151 nM (pChEMBL 6.820000171661377)
Descriptors: MW 450.35, ALogP 5.04, HBA 6, HBD 2, PSA 77.99, QED 0.53
Compound (SMILES): COc1cccc(-c2nc3ccc(N4CCN(C)CC4)nn3c2-c2ccncc2)c1
InChIKey: PGJNVECBMPJQRU-UHFFFAOYSA-N
Target: Receptor-interacting serine/threonine-protein kinase 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y572
Assay: Inhibition of full length human GST-tagged RIPK3 expressed in Spodoptera frugiperda Sf9 cells after 30 mins by scintillation and luminescence counting method in the presence of [gamma-33P]ATP
Measurement: IC50 >= 10000 nM (pChEMBL 5)
Descriptors: MW 400.49, ALogP 3.22, HBA 7, HBD 0, PSA 58.79, QED 0.52
Compound (SMILES): CN1CCN(c2ccc3nc(-c4cccc5c4OCO5)c(-c4ccncc4)n3n2)CC1
InChIKey: ZDPFVYBULQUGBM-UHFFFAOYSA-N
Target: Receptor-interacting serine/threonine-protein kinase 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y572
Assay: Inhibition of full length human GST-tagged RIPK3 expressed in Spodoptera frugiperda Sf9 cells after 30 mins by scintillation and luminescence counting method in the presence of [gamma-33P]ATP
Measurement: IC50 = 2500 nM (pChEMBL 5.599999904632568)
Descriptors: MW 414.47, ALogP 2.94, HBA 8, HBD 0, PSA 68.02, QED 0.51
Compound (SMILES): CN1CCN(c2ccc3nc(-c4ccc5c(c4)OCO5)c(-c4ccncc4)n3n2)CC1
InChIKey: YIIPWHGYGYYCFZ-UHFFFAOYSA-N
Target: Receptor-interacting serine/threonine-protein kinase 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y572
Assay: Inhibition of full length human GST-tagged RIPK3 expressed in Spodoptera frugiperda Sf9 cells after 30 mins by scintillation and luminescence counting method in the presence of [gamma-33P]ATP
Measurement: IC50 = 7600 nM (pChEMBL 5.119999885559082)
Descriptors: MW 414.47, ALogP 2.94, HBA 8, HBD 0, PSA 68.02, QED 0.51
Compound (SMILES): CN1CCN(c2ccc3nc(-c4cccc5c4OCCO5)c(-c4ccncc4)n3n2)CC1
InChIKey: KWLALUJSWZSEHQ-UHFFFAOYSA-N
Target: Receptor-interacting serine/threonine-protein kinase 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y572
Assay: Inhibition of full length human GST-tagged RIPK3 expressed in Spodoptera frugiperda Sf9 cells after 30 mins by scintillation and luminescence counting method in the presence of [gamma-33P]ATP
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 428.5, ALogP 2.98, HBA 8, HBD 0, PSA 68.02, QED 0.5
Compound (SMILES): CN1CCN(c2ccc3nc(-c4ccc5c(c4)OCCO5)c(-c4ccncc4)n3n2)CC1
InChIKey: HLPMOIBLQACUJJ-UHFFFAOYSA-N
Target: Receptor-interacting serine/threonine-protein kinase 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y572
Assay: Inhibition of full length human GST-tagged RIPK3 expressed in Spodoptera frugiperda Sf9 cells after 30 mins by scintillation and luminescence counting method in the presence of [gamma-33P]ATP
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 428.5, ALogP 2.98, HBA 8, HBD 0, PSA 68.02, QED 0.5
Compound (SMILES): CN1CCN(c2ccc3nc(-c4ccc5ncsc5c4)c(-c4ccncc4)n3n2)CC1
InChIKey: SSGUNNUGCYUWCP-UHFFFAOYSA-N
Target: Receptor-interacting serine/threonine-protein kinase 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y572
Assay: Inhibition of full length human GST-tagged RIPK3 expressed in Spodoptera frugiperda Sf9 cells after 30 mins by scintillation and luminescence counting method in the presence of [gamma-33P]ATP
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 427.54, ALogP 3.82, HBA 8, HBD 0, PSA 62.45, QED 0.44
Compound (SMILES): CN1CCN(c2ccc3nc(-c4cccc5ccccc45)c(-c4ccncc4)n3n2)CC1
InChIKey: RTWXJPNBTHXJKE-UHFFFAOYSA-N
Target: Receptor-interacting serine/threonine-protein kinase 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y572
Assay: Inhibition of full length human GST-tagged RIPK3 expressed in Spodoptera frugiperda Sf9 cells after 30 mins by scintillation and luminescence counting method in the presence of [gamma-33P]ATP
Measurement: IC50 = 880 nM (pChEMBL 6.059999942779541)
Descriptors: MW 420.52, ALogP 4.36, HBA 6, HBD 0, PSA 49.56, QED 0.43
Compound (SMILES): COc1ccc2c(-c3nc4ccc(N5CCN(C)CC5)nn4c3-c3ccncc3)cccc2c1
InChIKey: KIRLMHCLAUXGKI-UHFFFAOYSA-N
Target: Receptor-interacting serine/threonine-protein kinase 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y572
Assay: Inhibition of full length human GST-tagged RIPK3 expressed in Spodoptera frugiperda Sf9 cells after 30 mins by scintillation and luminescence counting method in the presence of [gamma-33P]ATP
Measurement: IC50 = 1200 nM (pChEMBL 5.920000076293945)
Descriptors: MW 450.55, ALogP 4.37, HBA 7, HBD 0, PSA 58.79, QED 0.41
Compound (SMILES): CCOc1ccc2c(-c3nc4ccc(N5CCN(C)CC5)nn4c3-c3ccncc3)cccc2c1
InChIKey: RVTKFEDCJXYAJV-UHFFFAOYSA-N
Target: Receptor-interacting serine/threonine-protein kinase 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y572
Assay: Inhibition of full length human GST-tagged RIPK3 expressed in Spodoptera frugiperda Sf9 cells after 30 mins by scintillation and luminescence counting method in the presence of [gamma-33P]ATP
Measurement: IC50 = 1700 nM (pChEMBL 5.769999980926514)
Descriptors: MW 464.57, ALogP 4.76, HBA 7, HBD 0, PSA 58.79, QED 0.37
Compound (SMILES): CN1CCN(c2ccc3nc(-c4ccc(-c5ccccc5)cc4)c(-c4ccncc4)n3n2)CC1
InChIKey: MVDDEMQPGZMNOI-UHFFFAOYSA-N
Target: Receptor-interacting serine/threonine-protein kinase 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y572
Assay: Inhibition of full length human GST-tagged RIPK3 expressed in Spodoptera frugiperda Sf9 cells after 30 mins by scintillation and luminescence counting method in the presence of [gamma-33P]ATP
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 446.56, ALogP 4.88, HBA 6, HBD 0, PSA 49.56, QED 0.39
Compound (SMILES): CN1CCN(c2ccc3nc(-c4cccc(-c5ccccc5)c4)c(-c4ccncc4)n3n2)CC1
InChIKey: BFGWDKKQMJFYGX-UHFFFAOYSA-N
Target: Receptor-interacting serine/threonine-protein kinase 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y572
Assay: Inhibition of full length human GST-tagged RIPK3 expressed in Spodoptera frugiperda Sf9 cells after 30 mins by scintillation and luminescence counting method in the presence of [gamma-33P]ATP
Measurement: IC50 = 450 nM (pChEMBL 6.349999904632568)
Descriptors: MW 446.56, ALogP 4.88, HBA 6, HBD 0, PSA 49.56, QED 0.39
Compound (SMILES): CN1CCN(c2ccc3nc(-c4cccc(-c5cccs5)c4)c(-c4ccncc4)n3n2)CC1
InChIKey: OGBWSKFFKIHDAT-UHFFFAOYSA-N
Target: Receptor-interacting serine/threonine-protein kinase 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y572
Assay: Inhibition of full length human GST-tagged RIPK3 expressed in Spodoptera frugiperda Sf9 cells after 30 mins by scintillation and luminescence counting method in the presence of [gamma-33P]ATP
Measurement: IC50 = 270 nM (pChEMBL 6.570000171661377)
Descriptors: MW 452.59, ALogP 4.94, HBA 7, HBD 0, PSA 49.56, QED 0.39
Compound (SMILES): CN1CCN(c2ccc3nc(-c4cccc(-c5ccsc5)c4)c(-c4ccncc4)n3n2)CC1
InChIKey: SFRAFCXSYLFFIR-UHFFFAOYSA-N
Target: Receptor-interacting serine/threonine-protein kinase 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y572
Assay: Inhibition of full length human GST-tagged RIPK3 expressed in Spodoptera frugiperda Sf9 cells after 30 mins by scintillation and luminescence counting method in the presence of [gamma-33P]ATP
Measurement: IC50 = 300 nM (pChEMBL 6.519999980926514)
Descriptors: MW 452.59, ALogP 4.94, HBA 7, HBD 0, PSA 49.56, QED 0.39
Compound (SMILES): CN1CCN(c2ccc3nc(-c4ccc(-c5ccccc5)s4)c(-c4ccncc4)n3n2)CC1
InChIKey: VEKOIBRRCRBMOR-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 5/CDK5 activator 1 (PROTEIN COMPLEX), Homo sapiens
UniProt: Q15078
Assay: Inhibition of human recombinant CDK5/P25 expressed in Escherichia coli using histone H1 substrate after 30 mins by scintillation and luminescence counting method in presence of [gamma-33P]ATP
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 452.59, ALogP 4.94, HBA 7, HBD 0, PSA 49.56, QED 0.39
Compound (SMILES): CN1CCN(c2ccc3nc(-c4ccc(C(=O)N5CCOCC5)cc4)c(-c4ccncc4)n3n2)CC1
InChIKey: PTFDQIBTFLXUAW-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 5/CDK5 activator 1 (PROTEIN COMPLEX), Homo sapiens
UniProt: Q15078
Assay: Inhibition of human recombinant CDK5/P25 expressed in Escherichia coli using histone H1 substrate after 30 mins by scintillation and luminescence counting method in presence of [gamma-33P]ATP
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 483.58, ALogP 2.68, HBA 8, HBD 0, PSA 79.1, QED 0.44
Compound (SMILES): CN1CCN(c2ccc3nc(-c4cccc(C(=O)N5CCOCC5)c4)c(-c4ccncc4)n3n2)CC1
InChIKey: IXHPWOYBNAVCPP-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 5/CDK5 activator 1 (PROTEIN COMPLEX), Homo sapiens
UniProt: Q15078
Assay: Inhibition of human recombinant CDK5/P25 expressed in Escherichia coli using histone H1 substrate after 30 mins by scintillation and luminescence counting method in presence of [gamma-33P]ATP
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 483.58, ALogP 2.68, HBA 8, HBD 0, PSA 79.1, QED 0.44
Compound (SMILES): CN1CCN(c2ccc3nc(-c4cccc5c4OCO5)c(-c4cccnc4)n3n2)CC1
InChIKey: JXSPMVJUQGQTOQ-UHFFFAOYSA-N
Target: Receptor-interacting serine/threonine-protein kinase 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y572
Assay: Inhibition of full length human GST-tagged RIPK3 expressed in Spodoptera frugiperda Sf9 cells after 30 mins by scintillation and luminescence counting method in the presence of [gamma-33P]ATP
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 414.47, ALogP 2.94, HBA 8, HBD 0, PSA 68.02, QED 0.51
Compound (SMILES): CN1CCN(c2ccc3nc(-c4cccc5c4OCO5)c(-c4ccccc4)n3n2)CC1
InChIKey: UUFIIKREBUVIMW-UHFFFAOYSA-N
Target: Receptor-interacting serine/threonine-protein kinase 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y572
Assay: Inhibition of full length human GST-tagged RIPK3 expressed in Spodoptera frugiperda Sf9 cells after 30 mins by scintillation and luminescence counting method in the presence of [gamma-33P]ATP
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 413.48, ALogP 3.54, HBA 7, HBD 0, PSA 55.13, QED 0.51
Compound (SMILES): c1cc2c(c(-c3nc4cccnn4c3-c3ccncc3)c1)OCO2
InChIKey: MBSLKTPFDORDOH-UHFFFAOYSA-N
Target: Receptor-interacting serine/threonine-protein kinase 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y572
Assay: Inhibition of full length human GST-tagged RIPK3 expressed in Spodoptera frugiperda Sf9 cells after 30 mins by scintillation and luminescence counting method in the presence of [gamma-33P]ATP
Measurement: IC50 = 5500 nM (pChEMBL 5.260000228881836)
Descriptors: MW 316.32, ALogP 3.19, HBA 6, HBD 0, PSA 61.54, QED 0.57
Compound (SMILES): CN1CCN(c2ccc3nc(-c4cccc5c4OCO5)c(-c4ccncc4)n3c2)CC1
InChIKey: WFAGOLWNQFGARG-UHFFFAOYSA-N
Target: Receptor-interacting serine/threonine-protein kinase 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y572
Assay: Inhibition of full length human GST-tagged RIPK3 expressed in Spodoptera frugiperda Sf9 cells after 30 mins by scintillation and luminescence counting method in the presence of [gamma-33P]ATP
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 413.48, ALogP 3.54, HBA 7, HBD 0, PSA 55.13, QED 0.51
Compound (SMILES): COc1ccc2[nH]nc(C(=O)NCC3CCN(C)CC3)c2c1
InChIKey: ZCRURZZZYZJAJJ-UHFFFAOYSA-N
Target: Glycogen synthase kinase-3 beta (SINGLE PROTEIN), Homo sapiens
UniProt: P49841
Assay: Inhibition of human recombinant GSK-3beta using Ulight-CFFKNIVTPRTPPPSQQGK-amide as substrate after 90 mins by LANCE assay
Measurement: IC50 = 1200 nM (pChEMBL 5.920000076293945)
Descriptors: MW 302.38, ALogP 1.64, HBA 4, HBD 2, PSA 70.25, QED 0.9
Compound (SMILES): COc1ccc2[nH]nc(C(=O)NCC3CCN(CC(=O)O)CC3)c2c1
InChIKey: RAUPEWGSVNKHEK-UHFFFAOYSA-N
Target: Glycogen synthase kinase-3 beta (SINGLE PROTEIN), Homo sapiens
UniProt: P49841
Assay: Inhibition of human recombinant GSK-3beta using Ulight-CFFKNIVTPRTPPPSQQGK-amide as substrate after 90 mins by LANCE assay
Measurement: IC50 = 670 nM (pChEMBL 6.170000076293945)
Descriptors: MW 346.39, ALogP 1.1, HBA 5, HBD 3, PSA 107.55, QED 0.72
Compound (SMILES): COc1ccc2[nH]nc(C(=O)NCC3CCN(CCC(=O)O)CC3)c2c1
InChIKey: LCLFVSWORFRMBJ-UHFFFAOYSA-N
Target: Glycogen synthase kinase-3 beta (SINGLE PROTEIN), Homo sapiens
UniProt: P49841
Assay: Inhibition of human recombinant GSK-3beta using Ulight-CFFKNIVTPRTPPPSQQGK-amide as substrate after 90 mins by LANCE assay
Measurement: IC50 = 690 nM (pChEMBL 6.159999847412109)
Descriptors: MW 360.41, ALogP 1.49, HBA 5, HBD 3, PSA 107.55, QED 0.69
Compound (SMILES): COc1ccc2[nH]nc(C(=O)NCC3CCN(CCCC(=O)O)CC3)c2c1
InChIKey: SHQBCBFQEAZMRA-UHFFFAOYSA-N
Target: Glycogen synthase kinase-3 beta (SINGLE PROTEIN), Homo sapiens
UniProt: P49841
Assay: Inhibition of human recombinant GSK-3beta using Ulight-CFFKNIVTPRTPPPSQQGK-amide as substrate after 90 mins by LANCE assay
Measurement: IC50 = 230 nM (pChEMBL 6.639999866485596)
Descriptors: MW 374.44, ALogP 1.88, HBA 5, HBD 3, PSA 107.55, QED 0.65
Compound (SMILES): COCCN1CCC(CNC(=O)c2n[nH]c3ccc(OC)cc23)CC1
InChIKey: PKKBXXKBIFOZEH-UHFFFAOYSA-N
Target: Glycogen synthase kinase-3 beta (SINGLE PROTEIN), Homo sapiens
UniProt: P49841
Assay: Inhibition of human recombinant GSK-3beta using Ulight-CFFKNIVTPRTPPPSQQGK-amide as substrate after 90 mins by LANCE assay
Measurement: IC50 = 870 nM (pChEMBL 6.059999942779541)
Descriptors: MW 346.43, ALogP 1.66, HBA 5, HBD 2, PSA 79.48, QED 0.8
Compound (SMILES): COc1ccc2[nH]nc(C(=O)NCC3CCN(CCNS(C)(=O)=O)CC3)c2c1
InChIKey: YTCRLBWNALTVAV-UHFFFAOYSA-N
Target: Glycogen synthase kinase-3 beta (SINGLE PROTEIN), Homo sapiens
UniProt: P49841
Assay: Inhibition of human recombinant GSK-3beta using Ulight-CFFKNIVTPRTPPPSQQGK-amide as substrate after 90 mins by LANCE assay
Measurement: IC50 = 1000 nM (pChEMBL 6)
Descriptors: MW 409.51, ALogP 0.56, HBA 6, HBD 3, PSA 116.42, QED 0.59
Compound (SMILES): COc1ccc2[nH]nc(C(=O)NCC3CCN(CCCN(C)C)CC3)c2c1
InChIKey: DKEDKVUIFGYLFU-UHFFFAOYSA-N
Target: Glycogen synthase kinase-3 beta (SINGLE PROTEIN), Homo sapiens
UniProt: P49841
Assay: Inhibition of human recombinant GSK-3beta using Ulight-CFFKNIVTPRTPPPSQQGK-amide as substrate after 90 mins by LANCE assay
Measurement: IC50 = 1700 nM (pChEMBL 5.769999980926514)
Descriptors: MW 373.5, ALogP 1.97, HBA 5, HBD 2, PSA 73.49, QED 0.74
Compound (SMILES): CCC(=O)NCCCN1CCC(CNC(=O)c2n[nH]c3ccc(OC)cc23)CC1
InChIKey: FBAFAVQZISHCJM-UHFFFAOYSA-N
Target: Glycogen synthase kinase-3 beta (SINGLE PROTEIN), Homo sapiens
UniProt: P49841
Assay: Inhibition of human recombinant GSK-3beta using Ulight-CFFKNIVTPRTPPPSQQGK-amide as substrate after 90 mins by LANCE assay
Measurement: IC50 = 1130 nM (pChEMBL 5.949999809265137)
Descriptors: MW 401.51, ALogP 1.93, HBA 5, HBD 3, PSA 99.35, QED 0.56
Compound (SMILES): CCCC(=O)NCCCN1CCC(CNC(=O)c2n[nH]c3ccc(OC)cc23)CC1
InChIKey: JGSXYTYAUFPAJT-UHFFFAOYSA-N
Target: Glycogen synthase kinase-3 beta (SINGLE PROTEIN), Homo sapiens
UniProt: P49841
Assay: Inhibition of human recombinant GSK-3beta using Ulight-CFFKNIVTPRTPPPSQQGK-amide as substrate after 90 mins by LANCE assay
Measurement: IC50 = 750 nM (pChEMBL 6.119999885559082)
Descriptors: MW 415.54, ALogP 2.32, HBA 5, HBD 3, PSA 99.35, QED 0.52
Compound (SMILES): C/C=C/C(=O)NCCCN1CCC(CNC(=O)c2n[nH]c3ccc(OC)cc23)CC1
InChIKey: IPEOUKRUQUAFKV-HWKANZROSA-N
Target: Glycogen synthase kinase-3 beta (SINGLE PROTEIN), Homo sapiens
UniProt: P49841
Assay: Inhibition of human recombinant GSK-3beta using Ulight-CFFKNIVTPRTPPPSQQGK-amide as substrate after 90 mins by LANCE assay
Measurement: IC50 = 1510 nM (pChEMBL 5.820000171661377)
Descriptors: MW 413.52, ALogP 2.1, HBA 5, HBD 3, PSA 99.35, QED 0.43
Compound (SMILES): CC#CC(=O)NCCCN1CCC(CNC(=O)c2n[nH]c3ccc(OC)cc23)CC1
InChIKey: RSNPNQJDIOQTSQ-UHFFFAOYSA-N
Target: Glycogen synthase kinase-3 beta (SINGLE PROTEIN), Homo sapiens
UniProt: P49841
Assay: Inhibition of human recombinant GSK-3beta using Ulight-CFFKNIVTPRTPPPSQQGK-amide as substrate after 90 mins by LANCE assay
Measurement: IC50 = 530 nM (pChEMBL 6.28000020980835)
Descriptors: MW 411.51, ALogP 1.54, HBA 5, HBD 3, PSA 99.35, QED 0.45
Compound (SMILES): COc1ccc2[nH]nc(C(=O)NCC3CCN(CCCNC(=O)c4ccccc4)CC3)c2c1
InChIKey: QEDSHPPMMPIPII-UHFFFAOYSA-N
Target: Glycogen synthase kinase-3 beta (SINGLE PROTEIN), Homo sapiens
UniProt: P49841
Assay: Inhibition of human recombinant GSK-3beta using Ulight-CFFKNIVTPRTPPPSQQGK-amide as substrate after 90 mins by LANCE assay
Measurement: IC50 = 580 nM (pChEMBL 6.239999771118164)
Descriptors: MW 449.56, ALogP 2.83, HBA 5, HBD 3, PSA 99.35, QED 0.44
Compound (SMILES): COc1ccc2[nH]nc(C(=O)NCC3CCN(Cc4ccccc4)CC3)c2c1
InChIKey: WQXBNJFLMXSIJY-UHFFFAOYSA-N
Target: Glycogen synthase kinase-3 beta (SINGLE PROTEIN), Homo sapiens
UniProt: P49841
Assay: Inhibition of human recombinant GSK-3beta using Ulight-CFFKNIVTPRTPPPSQQGK-amide as substrate after 90 mins by LANCE assay
Measurement: IC50 = 250 nM (pChEMBL 6.599999904632568)
Descriptors: MW 378.48, ALogP 3.21, HBA 4, HBD 2, PSA 70.25, QED 0.69
Compound (SMILES): COc1ccc2[nH]nc(C(=O)NCC3CCN(Cc4ccc(O)cc4)CC3)c2c1
InChIKey: AVJQHXNWTOBVDY-UHFFFAOYSA-N
Target: Glycogen synthase kinase-3 beta (SINGLE PROTEIN), Homo sapiens
UniProt: P49841
Assay: Inhibition of human recombinant GSK-3beta using Ulight-CFFKNIVTPRTPPPSQQGK-amide as substrate after 90 mins by LANCE assay
Measurement: IC50 = 400 nM (pChEMBL 6.400000095367432)
Descriptors: MW 394.48, ALogP 2.92, HBA 5, HBD 3, PSA 90.48, QED 0.6
Compound (SMILES): COc1ccc2[nH]nc(C(=O)NCC3CCN(Cc4ccc(C(F)(F)F)cc4)CC3)c2c1
InChIKey: SSBIYOZBJTXDML-UHFFFAOYSA-N
Target: Glycogen synthase kinase-3 beta (SINGLE PROTEIN), Homo sapiens
UniProt: P49841
Assay: Inhibition of human recombinant GSK-3beta using Ulight-CFFKNIVTPRTPPPSQQGK-amide as substrate after 90 mins by LANCE assay
Measurement: IC50 = 640 nM (pChEMBL 6.190000057220459)
Descriptors: MW 446.47, ALogP 4.23, HBA 4, HBD 2, PSA 70.25, QED 0.59
Compound (SMILES): COc1ccc2[nH]nc(C(=O)NCC3CCN(Cc4ccc(Cl)cc4Cl)CC3)c2c1
InChIKey: YCTKWXLLTRJPAD-UHFFFAOYSA-N
Target: Glycogen synthase kinase-3 beta (SINGLE PROTEIN), Homo sapiens
UniProt: P49841
Assay: Inhibition of human recombinant GSK-3beta using Ulight-CFFKNIVTPRTPPPSQQGK-amide as substrate after 90 mins by LANCE assay
Measurement: IC50 = 310 nM (pChEMBL 6.510000228881836)
Descriptors: MW 447.37, ALogP 4.52, HBA 4, HBD 2, PSA 70.25, QED 0.58
Compound (SMILES): COc1ccc2[nH]nc(C(=O)NCC3CCN(Cc4ccc(OCc5ccccc5)cc4)CC3)c2c1
InChIKey: HEJUNQANWHZANT-UHFFFAOYSA-N
Target: Glycogen synthase kinase-3 beta (SINGLE PROTEIN), Homo sapiens
UniProt: P49841
Assay: Inhibition of human recombinant GSK-3beta using Ulight-CFFKNIVTPRTPPPSQQGK-amide as substrate after 90 mins by LANCE assay
Measurement: IC50 = 350 nM (pChEMBL 6.460000038146973)
Descriptors: MW 484.6, ALogP 4.79, HBA 5, HBD 2, PSA 79.48, QED 0.36
Compound (SMILES): COc1ccc2[nH]nc(C(=O)NCC3CCN(Cc4ccc(C(=O)[O-])nc4)CC3)c2c1.[Na+]
InChIKey: VCKVYUMEDYPJKE-UHFFFAOYSA-M
Target: Glycogen synthase kinase-3 beta (SINGLE PROTEIN), Homo sapiens
UniProt: P49841
Assay: Inhibition of human recombinant GSK-3beta using Ulight-CFFKNIVTPRTPPPSQQGK-amide as substrate after 90 mins by LANCE assay
Measurement: IC50 = 320 nM (pChEMBL 6.5)
Descriptors: MW 423.47, ALogP 2.31, HBA 6, HBD 3, PSA 120.44, QED 0.53
Compound (SMILES): COc1ccc2[nH]nc(C(=O)NCC3CCN(Cc4ccnc(C(=O)O)c4)CC3)c2c1
InChIKey: BYAMWHZYBUUWPE-UHFFFAOYSA-N
Target: Glycogen synthase kinase-3 beta (SINGLE PROTEIN), Homo sapiens
UniProt: P49841
Assay: Inhibition of human recombinant GSK-3beta using Ulight-CFFKNIVTPRTPPPSQQGK-amide as substrate after 90 mins by LANCE assay
Measurement: IC50 = 270 nM (pChEMBL 6.570000171661377)
Descriptors: MW 423.47, ALogP 2.31, HBA 6, HBD 3, PSA 120.44, QED 0.53
Compound (SMILES): COc1ccc2[nH]nc(C(=O)NCC3CCN(CCc4ccc(O)cc4)CC3)c2c1
InChIKey: SOKOQHNUYVVYND-UHFFFAOYSA-N
Target: Glycogen synthase kinase-3 beta (SINGLE PROTEIN), Homo sapiens
UniProt: P49841
Assay: Inhibition of human recombinant GSK-3beta using Ulight-CFFKNIVTPRTPPPSQQGK-amide as substrate after 90 mins by LANCE assay
Measurement: IC50 = 350 nM (pChEMBL 6.460000038146973)
Descriptors: MW 408.5, ALogP 2.96, HBA 5, HBD 3, PSA 90.48, QED 0.56
Compound (SMILES): COc1ccc(CCN2CCC(CNC(=O)c3n[nH]c4ccc(OC)cc34)CC2)cc1
InChIKey: DAAZHWRRHXMDRD-UHFFFAOYSA-N
Target: Glycogen synthase kinase-3 beta (SINGLE PROTEIN), Homo sapiens
UniProt: P49841
Assay: Inhibition of human recombinant GSK-3beta using Ulight-CFFKNIVTPRTPPPSQQGK-amide as substrate after 90 mins by LANCE assay
Measurement: IC50 = 560 nM (pChEMBL 6.25)
Descriptors: MW 422.53, ALogP 3.26, HBA 5, HBD 2, PSA 79.48, QED 0.58
Compound (SMILES): COc1ccc2[nH]nc(C(=O)NCC3CCN(CCc4ccncc4)CC3)c2c1
InChIKey: BUJKQWMOMPXBJM-UHFFFAOYSA-N
Target: Glycogen synthase kinase-3 beta (SINGLE PROTEIN), Homo sapiens
UniProt: P49841
Assay: Inhibition of human recombinant GSK-3beta using Ulight-CFFKNIVTPRTPPPSQQGK-amide as substrate after 90 mins by LANCE assay
Measurement: IC50 = 510 nM (pChEMBL 6.289999961853027)
Descriptors: MW 393.49, ALogP 2.65, HBA 5, HBD 2, PSA 83.14, QED 0.64
Compound (SMILES): COc1ccc2[nH]nc(C(=O)NCC3CCN(CCC4CCCC(C)C4)CC3)c2c1
InChIKey: XOOYTHKXMQQQEA-UHFFFAOYSA-N
Target: Glycogen synthase kinase-3 beta (SINGLE PROTEIN), Homo sapiens
UniProt: P49841
Assay: Inhibition of human recombinant GSK-3beta using Ulight-CFFKNIVTPRTPPPSQQGK-amide as substrate after 90 mins by LANCE assay
Measurement: IC50 = 360 nM (pChEMBL 6.440000057220459)
Descriptors: MW 412.58, ALogP 4.23, HBA 4, HBD 2, PSA 70.25, QED 0.71
Compound (SMILES): COc1ccc2[nH]nc(C(=O)NCC3CCN(Cc4ccc(C(=O)O)o4)CC3)c2c1
InChIKey: ADMCUMRIIFSUPV-UHFFFAOYSA-N
Target: Glycogen synthase kinase-3 beta (SINGLE PROTEIN), Homo sapiens
UniProt: P49841
Assay: Inhibition of human recombinant GSK-3beta using Ulight-CFFKNIVTPRTPPPSQQGK-amide as substrate after 90 mins by LANCE assay
Measurement: IC50 = 400 nM (pChEMBL 6.400000095367432)
Descriptors: MW 412.45, ALogP 2.5, HBA 6, HBD 3, PSA 120.69, QED 0.55
Compound (SMILES): CCOC(=O)c1ccc(CN2CCC(CNC(=O)c3n[nH]c4ccc(OC)cc34)CC2)o1
InChIKey: XEMAVFCCICEWKH-UHFFFAOYSA-N
Target: Glycogen synthase kinase-3 beta (SINGLE PROTEIN), Homo sapiens
UniProt: P49841
Assay: Inhibition of human recombinant GSK-3beta using Ulight-CFFKNIVTPRTPPPSQQGK-amide as substrate after 90 mins by LANCE assay
Measurement: IC50 = 330 nM (pChEMBL 6.480000019073486)
Descriptors: MW 440.5, ALogP 2.98, HBA 7, HBD 2, PSA 109.69, QED 0.52
Compound (SMILES): COc1ccc2[nH]nc(C(=O)NCC3CCN(Cc4nc(C(=O)O)co4)CC3)c2c1
InChIKey: NWKSXGISQIPVIA-UHFFFAOYSA-N
Target: Glycogen synthase kinase-3 beta (SINGLE PROTEIN), Homo sapiens
UniProt: P49841
Assay: Inhibition of human recombinant GSK-3beta using Ulight-CFFKNIVTPRTPPPSQQGK-amide as substrate after 90 mins by LANCE assay
Measurement: IC50 = 70 nM (pChEMBL 7.159999847412109)
Descriptors: MW 413.43, ALogP 1.9, HBA 7, HBD 3, PSA 133.58, QED 0.53
Compound (SMILES): COC(=O)c1coc(CN2CCC(CNC(=O)c3n[nH]c4ccc(OC)cc34)CC2)n1
InChIKey: VKJSYJBYBSYYPO-UHFFFAOYSA-N
Target: Glycogen synthase kinase-3 beta (SINGLE PROTEIN), Homo sapiens
UniProt: P49841
Assay: Inhibition of human recombinant GSK-3beta using Ulight-CFFKNIVTPRTPPPSQQGK-amide as substrate after 90 mins by LANCE assay
Measurement: IC50 = 210 nM (pChEMBL 6.679999828338623)
Descriptors: MW 427.46, ALogP 1.99, HBA 8, HBD 2, PSA 122.58, QED 0.55
Compound (SMILES): COc1ccc2[nH]nc(C(=O)NCC3CCN(Cc4nc(C(=O)O)cs4)CC3)c2c1
InChIKey: GEAOHLKIGUKERJ-UHFFFAOYSA-N
Target: Glycogen synthase kinase-3 beta (SINGLE PROTEIN), Homo sapiens
UniProt: P49841
Assay: Inhibition of human recombinant GSK-3beta using Ulight-CFFKNIVTPRTPPPSQQGK-amide as substrate after 90 mins by LANCE assay
Measurement: IC50 = 50 nM (pChEMBL 7.300000190734863)
Descriptors: MW 429.5, ALogP 2.37, HBA 7, HBD 3, PSA 120.44, QED 0.53
Compound (SMILES): COC(=O)c1csc(CN2CCC(CNC(=O)c3n[nH]c4ccc(OC)cc34)CC2)n1
InChIKey: IFOCWYIZCJPIJY-UHFFFAOYSA-N
Target: Glycogen synthase kinase-3 beta (SINGLE PROTEIN), Homo sapiens
UniProt: P49841
Assay: Inhibition of human recombinant GSK-3beta using Ulight-CFFKNIVTPRTPPPSQQGK-amide as substrate after 90 mins by LANCE assay
Measurement: IC50 = 130 nM (pChEMBL 6.889999866485596)
Descriptors: MW 443.53, ALogP 2.46, HBA 8, HBD 2, PSA 109.44, QED 0.54
Compound (SMILES): CCOC(=O)c1nc(CN2CCC(CNC(=O)c3n[nH]c4ccc(OC)cc34)CC2)cs1
InChIKey: OYBVLGCDIMQTKJ-UHFFFAOYSA-N
Target: Glycogen synthase kinase-3 beta (SINGLE PROTEIN), Homo sapiens
UniProt: P49841
Assay: Inhibition of human recombinant GSK-3beta using Ulight-CFFKNIVTPRTPPPSQQGK-amide as substrate after 90 mins by LANCE assay
Measurement: IC50 = 950 nM (pChEMBL 6.019999980926514)
Descriptors: MW 457.56, ALogP 2.85, HBA 8, HBD 2, PSA 109.44, QED 0.5
Compound (SMILES): COc1ccc2[nH]nc(C(=O)NCC3CCN(Cc4noc(C(N)=O)n4)CC3)c2c1
InChIKey: FTNGUVUKNTWCET-UHFFFAOYSA-N
Target: Glycogen synthase kinase-3 beta (SINGLE PROTEIN), Homo sapiens
UniProt: P49841
Assay: Inhibition of human recombinant GSK-3beta using Ulight-CFFKNIVTPRTPPPSQQGK-amide as substrate after 90 mins by LANCE assay
Measurement: IC50 = 490 nM (pChEMBL 6.309999942779541)
Descriptors: MW 413.44, ALogP 0.7, HBA 8, HBD 3, PSA 152.26, QED 0.51
Compound (SMILES): COC(=O)c1ccoc1CN1CCC(CNC(=O)c2n[nH]c3ccc(OC)cc23)CC1
InChIKey: JPBJGSYWESOYTD-UHFFFAOYSA-N
Target: Glycogen synthase kinase-3 beta (SINGLE PROTEIN), Homo sapiens
UniProt: P49841
Assay: Inhibition of human recombinant GSK-3beta using Ulight-CFFKNIVTPRTPPPSQQGK-amide as substrate after 90 mins by LANCE assay
Measurement: IC50 = 230 nM (pChEMBL 6.639999866485596)
Descriptors: MW 426.47, ALogP 2.59, HBA 7, HBD 2, PSA 109.69, QED 0.56
Compound (SMILES): COc1ccc2[nH]nc(C(=O)NCC3CCN(CCN4C[C@@H](C)O[C@@H](C)C4)CC3)c2c1
InChIKey: NPMSCCRXMIZSHU-CALCHBBNSA-N
Target: Glycogen synthase kinase-3 beta (SINGLE PROTEIN), Homo sapiens
UniProt: P49841
Assay: Inhibition of human recombinant GSK-3beta using Ulight-CFFKNIVTPRTPPPSQQGK-amide as substrate after 90 mins by LANCE assay
Measurement: IC50 = 1400 nM (pChEMBL 5.849999904632568)
Descriptors: MW 429.57, ALogP 2.12, HBA 6, HBD 2, PSA 82.72, QED 0.7
Compound (SMILES): COc1ccc2[nH]nc(C(=O)NCC3CCN(CCCN4C[C@@H](C)O[C@@H](C)C4)CC3)c2c1
InChIKey: LMCXULSGXABOOZ-HDICACEKSA-N
Target: Glycogen synthase kinase-3 beta (SINGLE PROTEIN), Homo sapiens
UniProt: P49841
Assay: Inhibition of human recombinant GSK-3beta using Ulight-CFFKNIVTPRTPPPSQQGK-amide as substrate after 90 mins by LANCE assay
Measurement: IC50 = 2100 nM (pChEMBL 5.679999828338623)
Descriptors: MW 443.59, ALogP 2.51, HBA 6, HBD 2, PSA 82.72, QED 0.65
Compound (SMILES): O=C(NCC1CCN(CCc2ccccc2)CC1)c1n[nH]c2ccc(-c3ccccc3F)cc12
InChIKey: XCUUQPXYMNEDCC-UHFFFAOYSA-N
Target: Glycogen synthase kinase-3 beta (SINGLE PROTEIN), Homo sapiens
UniProt: P49841
Assay: Inhibition of human recombinant GSK-3beta using Ulight-CFFKNIVTPRTPPPSQQGK-amide as substrate after 90 mins by LANCE assay
Measurement: IC50 = 112 nM (pChEMBL 6.949999809265137)
Descriptors: MW 456.57, ALogP 5.05, HBA 3, HBD 2, PSA 61.02, QED 0.41
Compound (SMILES): O=C(NCC1CCN(CCc2ccccc2)CC1)c1n[nH]c2ccc(-c3cccc(F)c3F)cc12
InChIKey: XBDCHQGWDOWZSO-UHFFFAOYSA-N
Target: Glycogen synthase kinase-3 beta (SINGLE PROTEIN), Homo sapiens
UniProt: P49841
Assay: Inhibition of human recombinant GSK-3beta using Ulight-CFFKNIVTPRTPPPSQQGK-amide as substrate after 90 mins by LANCE assay
Measurement: IC50 = 67 nM (pChEMBL 7.170000076293945)
Descriptors: MW 474.56, ALogP 5.19, HBA 3, HBD 2, PSA 61.02, QED 0.39
Compound (SMILES): O=C(NCC1CCN(CCc2ccccc2)CC1)c1n[nH]c2ccc(-c3cccnc3)cc12
InChIKey: VYHUTOKCRKIKNU-UHFFFAOYSA-N
Target: Glycogen synthase kinase-3 beta (SINGLE PROTEIN), Homo sapiens
UniProt: P49841
Assay: Inhibition of human recombinant GSK-3beta using Ulight-CFFKNIVTPRTPPPSQQGK-amide as substrate after 90 mins by LANCE assay
Measurement: IC50 = 39 nM (pChEMBL 7.409999847412109)
Descriptors: MW 439.56, ALogP 4.31, HBA 4, HBD 2, PSA 73.91, QED 0.45
Compound (SMILES): COc1ccncc1-c1ccc2[nH]nc(C(=O)NCC3CCN(CCc4ccccc4)CC3)c2c1
InChIKey: SWKXIDUZBHFSRB-UHFFFAOYSA-N
Target: Glycogen synthase kinase-3 beta (SINGLE PROTEIN), Homo sapiens
UniProt: P49841
Assay: Inhibition of human recombinant GSK-3beta using Ulight-CFFKNIVTPRTPPPSQQGK-amide as substrate after 90 mins by LANCE assay
Measurement: IC50 = 20 nM (pChEMBL 7.699999809265137)
Descriptors: MW 469.59, ALogP 4.32, HBA 5, HBD 2, PSA 83.14, QED 0.4
Compound (SMILES): Cc1ccc(-c2ccc3[nH]nc(C(=O)NCC4CCN(CCc5ccccc5)CC4)c3c2)cn1
InChIKey: YDMOMCRGMFVEGE-UHFFFAOYSA-N
Target: Glycogen synthase kinase-3 beta (SINGLE PROTEIN), Homo sapiens
UniProt: P49841
Assay: Inhibition of human recombinant GSK-3beta using Ulight-CFFKNIVTPRTPPPSQQGK-amide as substrate after 90 mins by LANCE assay
Measurement: IC50 = 40 nM (pChEMBL 7.400000095367432)
Descriptors: MW 453.59, ALogP 4.62, HBA 4, HBD 2, PSA 73.91, QED 0.43
Compound (SMILES): COCCN1CCC(CNC(=O)c2n[nH]c3ccc(-c4ccccc4)cc23)CC1
InChIKey: NYZULOOKYVABFY-UHFFFAOYSA-N
Target: Glycogen synthase kinase-3 beta (SINGLE PROTEIN), Homo sapiens
UniProt: P49841
Assay: Inhibition of human recombinant GSK-3beta using Ulight-CFFKNIVTPRTPPPSQQGK-amide as substrate after 90 mins by LANCE assay
Measurement: IC50 = 200 nM (pChEMBL 6.699999809265137)
Descriptors: MW 392.5, ALogP 3.32, HBA 4, HBD 2, PSA 70.25, QED 0.65
Compound (SMILES): COCCN1CCC(CNC(=O)c2n[nH]c3ccc(-c4ccccc4F)cc23)CC1
InChIKey: RHFZCROGUQMPSL-UHFFFAOYSA-N
Target: Glycogen synthase kinase-3 beta (SINGLE PROTEIN), Homo sapiens
UniProt: P49841
Assay: Inhibition of human recombinant GSK-3beta using Ulight-CFFKNIVTPRTPPPSQQGK-amide as substrate after 90 mins by LANCE assay
Measurement: IC50 = 72 nM (pChEMBL 7.139999866485596)
Descriptors: MW 410.49, ALogP 3.46, HBA 4, HBD 2, PSA 70.25, QED 0.63
Compound (SMILES): COCCN1CCC(CNC(=O)c2n[nH]c3ccc(-c4ccccc4C)cc23)CC1
InChIKey: GBXFCKLFXNYEAE-UHFFFAOYSA-N
Target: Glycogen synthase kinase-3 beta (SINGLE PROTEIN), Homo sapiens
UniProt: P49841
Assay: Inhibition of human recombinant GSK-3beta using Ulight-CFFKNIVTPRTPPPSQQGK-amide as substrate after 90 mins by LANCE assay
Measurement: IC50 = 580 nM (pChEMBL 6.239999771118164)
Descriptors: MW 406.53, ALogP 3.63, HBA 4, HBD 2, PSA 70.25, QED 0.63
Compound (SMILES): COCCN1CCC(CNC(=O)c2n[nH]c3ccc(-c4cccc(F)c4F)cc23)CC1
InChIKey: QCLXNOBXQUWUEW-UHFFFAOYSA-N
Target: Glycogen synthase kinase-3 beta (SINGLE PROTEIN), Homo sapiens
UniProt: P49841
Assay: Inhibition of human recombinant GSK-3beta using Ulight-CFFKNIVTPRTPPPSQQGK-amide as substrate after 90 mins by LANCE assay
Measurement: IC50 = 18 nM (pChEMBL 7.75)
Descriptors: MW 428.48, ALogP 3.6, HBA 4, HBD 2, PSA 70.25, QED 0.6
Compound (SMILES): COCCN1CCC(CNC(=O)c2n[nH]c3ccc(-c4ccc(OC)cc4)cc23)CC1
InChIKey: OSCFBMQJHGPVER-UHFFFAOYSA-N
Target: Glycogen synthase kinase-3 beta (SINGLE PROTEIN), Homo sapiens
UniProt: P49841
Assay: Inhibition of human recombinant GSK-3beta using Ulight-CFFKNIVTPRTPPPSQQGK-amide as substrate after 90 mins by LANCE assay
Measurement: IC50 = 560 nM (pChEMBL 6.25)
Descriptors: MW 422.53, ALogP 3.33, HBA 5, HBD 2, PSA 79.48, QED 0.58
Compound (SMILES): COCCN1CCC(CNC(=O)c2n[nH]c3ccc(-c4cccnc4)cc23)CC1
InChIKey: ZQGJOSYZPOWNDE-UHFFFAOYSA-N
Target: Glycogen synthase kinase-3 beta (SINGLE PROTEIN), Homo sapiens
UniProt: P49841
Assay: Inhibition of human recombinant GSK-3beta using Ulight-CFFKNIVTPRTPPPSQQGK-amide as substrate after 90 mins by LANCE assay
Measurement: IC50 = 31 nM (pChEMBL 7.510000228881836)
Descriptors: MW 393.49, ALogP 2.71, HBA 5, HBD 2, PSA 83.14, QED 0.64
Compound (SMILES): COCCN1CCC(CNC(=O)c2n[nH]c3ccc(-c4cnccc4OC)cc23)CC1
InChIKey: GOKBBVFOHCGFRN-UHFFFAOYSA-N
Target: Glycogen synthase kinase-3 beta (SINGLE PROTEIN), Homo sapiens
UniProt: P49841
Assay: Inhibition of human recombinant GSK-3beta using Ulight-CFFKNIVTPRTPPPSQQGK-amide as substrate after 90 mins by LANCE assay
Measurement: IC50 = 45 nM (pChEMBL 7.349999904632568)
Descriptors: MW 423.52, ALogP 2.72, HBA 6, HBD 2, PSA 92.37, QED 0.58
Compound (SMILES): COCCN1CCC(CNC(=O)c2n[nH]c3ccc(-c4cncc(OC)c4)cc23)CC1
InChIKey: CSEMNQRANZNKJH-UHFFFAOYSA-N
Target: Glycogen synthase kinase-3 beta (SINGLE PROTEIN), Homo sapiens
UniProt: P49841
Assay: Inhibition of human recombinant GSK-3beta using Ulight-CFFKNIVTPRTPPPSQQGK-amide as substrate after 90 mins by LANCE assay
Measurement: IC50 = 26 nM (pChEMBL 7.579999923706055)
Descriptors: MW 423.52, ALogP 2.72, HBA 6, HBD 2, PSA 92.37, QED 0.58
Compound (SMILES): COCCN1CCC(CNC(=O)c2n[nH]c3ccc(-c4ccc(OC)nc4)cc23)CC1
InChIKey: JTTBDQWSWBWKFD-UHFFFAOYSA-N
Target: Glycogen synthase kinase-3 beta (SINGLE PROTEIN), Homo sapiens
UniProt: P49841
Assay: Inhibition of human recombinant GSK-3beta using Ulight-CFFKNIVTPRTPPPSQQGK-amide as substrate after 90 mins by LANCE assay
Measurement: IC50 = 53 nM (pChEMBL 7.28000020980835)
Descriptors: MW 423.52, ALogP 2.72, HBA 6, HBD 2, PSA 92.37, QED 0.58
Compound (SMILES): COCCN1CCC(CNC(=O)c2n[nH]c3ccc(-c4cccnc4OC)cc23)CC1
InChIKey: KRBSCFMWTPUYMM-UHFFFAOYSA-N
Target: Glycogen synthase kinase-3 beta (SINGLE PROTEIN), Homo sapiens
UniProt: P49841
Assay: Inhibition of human recombinant GSK-3beta using Ulight-CFFKNIVTPRTPPPSQQGK-amide as substrate after 90 mins by LANCE assay
Measurement: IC50 = 1400 nM (pChEMBL 5.849999904632568)
Descriptors: MW 423.52, ALogP 2.72, HBA 6, HBD 2, PSA 92.37, QED 0.58
Compound (SMILES): COCCN1CCC(CNC(=O)c2n[nH]c3ccc(-c4ccc(C)nc4)cc23)CC1
InChIKey: NEKFZTHNKMNCEO-UHFFFAOYSA-N
Target: Glycogen synthase kinase-3 beta (SINGLE PROTEIN), Homo sapiens
UniProt: P49841
Assay: Inhibition of human recombinant GSK-3beta using Ulight-CFFKNIVTPRTPPPSQQGK-amide as substrate after 90 mins by LANCE assay
Measurement: IC50 = 64 nM (pChEMBL 7.190000057220459)
Descriptors: MW 407.52, ALogP 3.02, HBA 5, HBD 2, PSA 83.14, QED 0.63
Compound (SMILES): O=C([O-])c1ccc(CN2CCC(CNC(=O)c3n[nH]c4ccc(Br)cc34)CC2)o1.[Na+]
InChIKey: BJZXFSYKVIJXEL-UHFFFAOYSA-M
Target: Glycogen synthase kinase-3 beta (SINGLE PROTEIN), Homo sapiens
UniProt: P49841
Assay: Inhibition of human recombinant GSK-3beta using Ulight-CFFKNIVTPRTPPPSQQGK-amide as substrate after 90 mins by LANCE assay
Measurement: IC50 = 210 nM (pChEMBL 6.679999828338623)
Descriptors: MW 461.32, ALogP 3.26, HBA 5, HBD 3, PSA 111.46, QED 0.52
Compound (SMILES): CCOC(=O)c1ccc(CN2CCC(CNC(=O)c3n[nH]c4ccc(Br)cc34)CC2)o1
InChIKey: CAKSGLVAMRZEFK-UHFFFAOYSA-N
Target: Glycogen synthase kinase-3 beta (SINGLE PROTEIN), Homo sapiens
UniProt: P49841
Assay: Inhibition of human recombinant GSK-3beta using Ulight-CFFKNIVTPRTPPPSQQGK-amide as substrate after 90 mins by LANCE assay
Measurement: IC50 = 260 nM (pChEMBL 6.579999923706055)
Descriptors: MW 489.37, ALogP 3.74, HBA 6, HBD 2, PSA 100.46, QED 0.49
Compound (SMILES): O=C(O)c1ccc(CN2CCC(CNC(=O)c3n[nH]c4ccc(-c5ccccc5F)cc34)CC2)o1
InChIKey: CCBLLNUPTSUBTL-UHFFFAOYSA-N
Target: Glycogen synthase kinase-3 beta (SINGLE PROTEIN), Homo sapiens
UniProt: P49841
Assay: Inhibition of human recombinant GSK-3beta using Ulight-CFFKNIVTPRTPPPSQQGK-amide as substrate after 90 mins by LANCE assay
Measurement: IC50 = 17 nM (pChEMBL 7.769999980926514)
Descriptors: MW 476.51, ALogP 4.3, HBA 5, HBD 3, PSA 111.46, QED 0.37
Compound (SMILES): O=C(O)c1ccc(CN2CCC(CNC(=O)c3n[nH]c4ccc(-c5cccc(F)c5F)cc34)CC2)o1
InChIKey: OHINXHLFKNAQMY-UHFFFAOYSA-N
Target: Glycogen synthase kinase-3 beta (SINGLE PROTEIN), Homo sapiens
UniProt: P49841
Assay: LanthaScreen TR-FRET Assay: Activity on human GSK-3beta was assessed using the following methods (according to Meijer et al., Chem. Biol., 2003-10:1255-1266).In a first screening assay, compounds were tested in duplicate at a concentration of 10 uM.Human recombinant enzyme GSK-3beta was incubated for 90 minutes at 22° C. in the presence of compounds or vehicle in a reaction buffer containing ATP plus 100 nM unphosphorylated specific substrate peptide (Ulight-CFFKNIVTPRTPPPSQGK-amide). Substrate phosphorylation was measured by LANCE technology (PerkinElmer, Conn., USA). The results, reported in the following Table 4, are expressed as a percent of inhibition of control specific activity obtained in the presence of the test compounds (as % inhibition at 10 um). In a second assay, the same compounds were assayed at five concentrations ranging from 100 uM to 10 nM with ten-fold dilutions in duplicate.
Measurement: IC50 = 10 nM (pChEMBL 8)
Descriptors: MW 494.5, ALogP 4.44, HBA 5, HBD 3, PSA 111.46, QED 0.35
Compound (SMILES): COc1ccc(-c2ccc3[nH]nc(C(=O)NCC4CCN(Cc5ccc(C(=O)O)o5)CC4)c3c2)cc1
InChIKey: SNAPLPBZGUFAGN-UHFFFAOYSA-N
Target: Glycogen synthase kinase-3 beta (SINGLE PROTEIN), Homo sapiens
UniProt: P49841
Assay: Inhibition of human recombinant GSK-3beta using Ulight-CFFKNIVTPRTPPPSQQGK-amide as substrate after 90 mins by LANCE assay
Measurement: IC50 = 300 nM (pChEMBL 6.519999980926514)
Descriptors: MW 488.54, ALogP 4.17, HBA 6, HBD 3, PSA 120.69, QED 0.34
Compound (SMILES): COc1ccncc1-c1ccc2[nH]nc(C(=O)NCC3CCN(Cc4ccc(C(=O)O)o4)CC3)c2c1
InChIKey: CLXUTTCVUYWIGF-UHFFFAOYSA-N
Target: Glycogen synthase kinase-3 beta (SINGLE PROTEIN), Homo sapiens
UniProt: P49841
Assay: Inhibition of human recombinant GSK-3beta using Ulight-CFFKNIVTPRTPPPSQQGK-amide as substrate after 90 mins by LANCE assay
Measurement: IC50 = 9.6 nM (pChEMBL 8.020000457763672)
Descriptors: MW 489.53, ALogP 3.57, HBA 7, HBD 3, PSA 133.58, QED 0.34
Compound (SMILES): COc1ccc(-c2ccc3[nH]nc(C(=O)NCC4CCN(Cc5ccc(C(=O)O)o5)CC4)c3c2)cn1
InChIKey: ZOFDKUGNFQINCC-UHFFFAOYSA-N
Target: Glycogen synthase kinase-3 beta (SINGLE PROTEIN), Homo sapiens
UniProt: P49841
Assay: Inhibition of human recombinant GSK-3beta using Ulight-CFFKNIVTPRTPPPSQQGK-amide as substrate after 90 mins by LANCE assay
Measurement: IC50 = 21 nM (pChEMBL 7.679999828338623)
Descriptors: MW 489.53, ALogP 3.57, HBA 7, HBD 3, PSA 133.58, QED 0.34
Compound (SMILES): COc1ncccc1-c1ccc2[nH]nc(C(=O)NCC3CCN(Cc4ccc(C(=O)O)o4)CC3)c2c1
InChIKey: FUOSDLOJDDIINC-UHFFFAOYSA-N
Target: Glycogen synthase kinase-3 beta (SINGLE PROTEIN), Homo sapiens
UniProt: P49841
Assay: Inhibition of human recombinant GSK-3beta using Ulight-CFFKNIVTPRTPPPSQQGK-amide as substrate after 90 mins by LANCE assay
Measurement: IC50 = 360 nM (pChEMBL 6.440000057220459)
Descriptors: MW 489.53, ALogP 3.57, HBA 7, HBD 3, PSA 133.58, QED 0.34
Compound (SMILES): COC(=O)c1coc(CN2CCC(CNC(=O)c3n[nH]c4ccc(Br)cc34)CC2)n1
InChIKey: CSSQHQKUIYOCJC-UHFFFAOYSA-N
Target: Glycogen synthase kinase-3 beta (SINGLE PROTEIN), Homo sapiens
UniProt: P49841
Assay: Inhibition of human recombinant GSK-3beta using Ulight-CFFKNIVTPRTPPPSQQGK-amide as substrate after 90 mins by LANCE assay
Measurement: IC50 = 360 nM (pChEMBL 6.440000057220459)
Descriptors: MW 476.33, ALogP 2.74, HBA 7, HBD 2, PSA 113.35, QED 0.53
Compound (SMILES): O=C(O)c1coc(CN2CCC(CNC(=O)c3n[nH]c4ccc(-c5cccc(F)c5F)cc34)CC2)n1
InChIKey: XXAOHCUJHCJTGG-UHFFFAOYSA-N
Target: Glycogen synthase kinase-3 beta (SINGLE PROTEIN), Homo sapiens
UniProt: P49841
Assay: Inhibition of human recombinant GSK-3beta using Ulight-CFFKNIVTPRTPPPSQQGK-amide as substrate after 90 mins by LANCE assay
Measurement: IC50 = 6 nM (pChEMBL 8.220000267028809)
Descriptors: MW 495.49, ALogP 3.84, HBA 6, HBD 3, PSA 124.35, QED 0.36
Compound (SMILES): CCOC(=O)CN1CCC(CNC(=O)c2n[nH]c3ccc(Br)cc23)CC1
InChIKey: JJBQVDVMCUBMQW-UHFFFAOYSA-N
Target: Glycogen synthase kinase-3 beta (SINGLE PROTEIN), Homo sapiens
UniProt: P49841
Assay: Inhibition of human recombinant GSK-3beta using Ulight-CFFKNIVTPRTPPPSQQGK-amide as substrate after 90 mins by LANCE assay
Measurement: IC50 = 530 nM (pChEMBL 6.28000020980835)
Descriptors: MW 423.31, ALogP 2.33, HBA 5, HBD 2, PSA 87.32, QED 0.7
Compound (SMILES): CCc1ccc2[nH]nc(C(=O)NCC3CCN(CC(=O)O)CC3)c2c1
InChIKey: SVENVMQUIGXOCN-UHFFFAOYSA-N
Target: Glycogen synthase kinase-3 beta (SINGLE PROTEIN), Homo sapiens
UniProt: P49841
Assay: Inhibition of human recombinant GSK-3beta using Ulight-CFFKNIVTPRTPPPSQQGK-amide as substrate after 90 mins by LANCE assay
Measurement: IC50 = 541 nM (pChEMBL 6.269999980926514)
Descriptors: MW 344.42, ALogP 1.65, HBA 4, HBD 3, PSA 98.32, QED 0.74
Compound (SMILES): O=C(O)CN1CCC(CNC(=O)c2n[nH]c3ccc(-c4ccccc4F)cc23)CC1
InChIKey: SRODKRPXWAFBEP-UHFFFAOYSA-N
Target: Glycogen synthase kinase-3 beta (SINGLE PROTEIN), Homo sapiens
UniProt: P49841
Assay: Inhibition of human recombinant GSK-3beta using Ulight-CFFKNIVTPRTPPPSQQGK-amide as substrate after 90 mins by LANCE assay
Measurement: IC50 = 45 nM (pChEMBL 7.349999904632568)
Descriptors: MW 410.45, ALogP 2.9, HBA 4, HBD 3, PSA 98.32, QED 0.58
Compound (SMILES): O=C(O)CN1CCC(CNC(=O)c2n[nH]c3ccc(-c4cccc(F)c4F)cc23)CC1
InChIKey: OLTATYQTWVJLBW-UHFFFAOYSA-N
Target: Glycogen synthase kinase-3 beta (SINGLE PROTEIN), Homo sapiens
UniProt: P49841
Assay: Inhibition of human recombinant GSK-3beta using Ulight-CFFKNIVTPRTPPPSQQGK-amide as substrate after 90 mins by LANCE assay
Measurement: IC50 = 27 nM (pChEMBL 7.570000171661377)
Descriptors: MW 428.44, ALogP 3.03, HBA 4, HBD 3, PSA 98.32, QED 0.56
Compound (SMILES): O=C(O)CN1CCC(CNC(=O)c2n[nH]c3ccc(-c4cccc(Cl)c4Cl)cc23)CC1
InChIKey: HAPYWJJHQALMFO-UHFFFAOYSA-N
Target: Glycogen synthase kinase-3 beta (SINGLE PROTEIN), Homo sapiens
UniProt: P49841
Assay: Inhibition of human recombinant GSK-3beta using Ulight-CFFKNIVTPRTPPPSQQGK-amide as substrate after 90 mins by LANCE assay
Measurement: IC50 = 40 nM (pChEMBL 7.400000095367432)
Descriptors: MW 461.35, ALogP 4.06, HBA 4, HBD 3, PSA 98.32, QED 0.51
Compound (SMILES): COc1cncc(-c2ccc3[nH]nc(C(=O)NCC4CCN(CC(=O)O)CC4)c3c2)c1
InChIKey: LCYDHOUWGGYAFJ-UHFFFAOYSA-N
Target: Glycogen synthase kinase-3 beta (SINGLE PROTEIN), Homo sapiens
UniProt: P49841
Assay: Inhibition of human recombinant GSK-3beta using Ulight-CFFKNIVTPRTPPPSQQGK-amide as substrate after 90 mins by LANCE assay
Measurement: IC50 = 18 nM (pChEMBL 7.75)
Descriptors: MW 423.47, ALogP 2.16, HBA 6, HBD 3, PSA 120.44, QED 0.53
Compound (SMILES): Cc1ccc2[nH]nc(C(=O)NCC3CCN(CC(=O)Nc4ccccc4)CC3)c2c1
InChIKey: GSMGZEUTNQHFTE-UHFFFAOYSA-N
Target: Glycogen synthase kinase-3 beta (SINGLE PROTEIN), Homo sapiens
UniProt: P49841
Assay: Inhibition of GSK-3beta (unknown origin)
Measurement: IC50 = 640 nM (pChEMBL 6.190000057220459)
Descriptors: MW 405.5, ALogP 2.95, HBA 4, HBD 3, PSA 90.12, QED 0.59
Compound (SMILES): CCC1(c2ccccc2)SC(NC(C)=O)=NN1C(C)=O
InChIKey: FDHQOVCLFXZYBR-UHFFFAOYSA-N
Target: Kinesin-like protein KIF11 (SINGLE PROTEIN), Homo sapiens
UniProt: P52732
Assay: Inhibition of basal ATPase activity of N-terminal His6-tagged human Eg5 motor domain (1 to 368 residues) expressed in Escherichia coli BL21 (DE3) by pyruvate kinase-lactate dehydrogenase coupled assay
Measurement: IC50 = 1460 nM (pChEMBL 5.840000152587891)
Descriptors: MW 291.38, ALogP 2.25, HBA 4, HBD 1, PSA 61.77, QED 0.91
Compound (SMILES): CC(=O)NC1=NN(C(C)=O)C(C)(c2ccc(OC(C)=O)cc2)S1
InChIKey: IYNMLUAXIBSRAF-UHFFFAOYSA-N
Target: Kinesin-like protein KIF11 (SINGLE PROTEIN), Homo sapiens
UniProt: P52732
Assay: Inhibition of basal ATPase activity of N-terminal His6-tagged human Eg5 motor domain (1 to 368 residues) expressed in Escherichia coli BL21 (DE3) by pyruvate kinase-lactate dehydrogenase coupled assay
Measurement: IC50 = 5100 nM (pChEMBL 5.289999961853027)
Descriptors: MW 335.39, ALogP 1.79, HBA 6, HBD 1, PSA 88.07, QED 0.66
Compound (SMILES): CC(=O)NC1=NN(C(C)=O)C(C)(c2cc(F)ccc2F)S1
InChIKey: ZNPRWNIBSOBUJO-UHFFFAOYSA-N
Target: Kinesin-like protein KIF11 (SINGLE PROTEIN), Homo sapiens
UniProt: P52732
Assay: Inhibition of basal ATPase activity of N-terminal His6-tagged human Eg5 motor domain (1 to 368 residues) expressed in Escherichia coli BL21 (DE3) by pyruvate kinase-lactate dehydrogenase coupled assay
Measurement: IC50 = 840 nM (pChEMBL 6.079999923706055)
Descriptors: MW 313.33, ALogP 2.14, HBA 4, HBD 1, PSA 61.77, QED 0.86
Compound (SMILES): CS(=O)(=O)Nc1ccc2c(c1)/C(=C/c1cccs1)C(=O)N2
InChIKey: MMNRMYDQOIPVRR-WQLSENKSSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Inhibition of PDK1 (unknown origin) incubated for 1 hr by Z'Lyte assay
Measurement: IC50 = 6810 nM (pChEMBL 5.170000076293945)
Descriptors: MW 320.4, ALogP 2.61, HBA 4, HBD 2, PSA 75.27, QED 0.85
Compound (SMILES): CS(=O)(=O)Nc1ccc2c(c1)/C(=C/c1cnc[nH]1)C(=O)N2
InChIKey: WQFNQYYZHLYCLA-WZUFQYTHSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Inhibition of PDK1 (unknown origin) incubated for 1 hr by Z'Lyte assay
Measurement: IC50 = 310 nM (pChEMBL 6.510000228881836)
Descriptors: MW 304.33, ALogP 1.27, HBA 4, HBD 3, PSA 103.95, QED 0.74
Compound (SMILES): CCCCCCCCCCCCCCCc1ccc(O)c(C(=O)O)c1
InChIKey: HOJWZZOJSIUNDO-UHFFFAOYSA-N
Target: Histone acetyltransferase KAT8 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H7Z6
Assay: Inhibition of recombinant N-terminal His6-tagged KAT8 (unknown origin) expressed in Escherichia Coli BL21 DE3 cells assessed as reduction of Co A level using histone H4 substrate after 15 mins by CPM fluorescence assay
Measurement: Ki = 79000 nM (pChEMBL 4.099999904632568)
Descriptors: MW 348.53, ALogP 6.72, HBA 2, HBD 2, PSA 57.53, QED 0.35
Compound (SMILES): CCCCCCCCCCc1ccc(O)c(C(=O)O)c1
InChIKey: AOFLEENSAJGSSY-UHFFFAOYSA-N
Target: Histone acetyltransferase KAT8 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H7Z6
Assay: Inhibition of recombinant N-terminal His6-tagged KAT8 (unknown origin) expressed in Escherichia Coli BL21 DE3 cells assessed as reduction of Co A level using histone H4 substrate after 15 mins by CPM fluorescence assay
Measurement: Ki = 57000 nM (pChEMBL 4.239999771118164)
Descriptors: MW 278.39, ALogP 4.77, HBA 2, HBD 2, PSA 57.53, QED 0.61