lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): COc1ccc(CCNc2ncnc3ccc(C#CCNC(=O)c4cncn(Cc5ccc(F)c(F)c5)c4=O)cc23)cc1OC
InChIKey: ARXNUGIREGBOFD-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 91 nM (pChEMBL 7.039999961853027)
Descriptors: MW 610.62, ALogP 3.97, HBA 9, HBD 2, PSA 120.26, QED 0.23
Compound (SMILES): O=C(NCC#Cc1ccc2ncnc(N3CCNCC3)c2c1)c1cncn(Cc2ccc(F)c(F)c2)c1=O
InChIKey: MFKSCZYXCXLMFB-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 443 nM (pChEMBL 6.349999904632568)
Descriptors: MW 515.52, ALogP 1.7, HBA 8, HBD 2, PSA 105.04, QED 0.39
Compound (SMILES): CN(C)CCNc1ncnc2ccc(C#CCNC(=O)c3cncn(Cc4ccc(F)c(F)c4)c3=O)cc12
InChIKey: LSRIRCRWNFXIHX-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 229 nM (pChEMBL 6.639999866485596)
Descriptors: MW 517.54, ALogP 2.27, HBA 8, HBD 2, PSA 105.04, QED 0.35
Compound (SMILES): O=C(NCC#Cc1ccc2ncnc(NCCCn3ccnc3)c2c1)c1cncn(Cc2ccc(F)c(F)c2)c1=O
InChIKey: QHFFFCFRPIGIHL-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 135 nM (pChEMBL 6.869999885559082)
Descriptors: MW 554.56, ALogP 2.99, HBA 9, HBD 2, PSA 119.62, QED 0.21
Compound (SMILES): O=C(NCC#Cc1ccc2ncnc(NCCc3cccs3)c2c1)c1cncn(Cc2ccc(F)c(F)c2)c1=O
InChIKey: VUNFSOUSGXXDOJ-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 161 nM (pChEMBL 6.789999961853027)
Descriptors: MW 556.6, ALogP 4.01, HBA 8, HBD 2, PSA 101.8, QED 0.28
Compound (SMILES): O=C(NCC#Cc1ccc2ncnc(NCC(O)c3ccccc3)c2c1)c1cncn(Cc2ccc(F)c(F)c2)c1=O
InChIKey: FEXNQHVCKJIZSY-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 184 nM (pChEMBL 6.739999771118164)
Descriptors: MW 566.57, ALogP 3.44, HBA 8, HBD 3, PSA 122.03, QED 0.25
Compound (SMILES): COCCCNc1ncnc2ccc(C#CCNC(=O)c3cncn(Cc4ccc(F)c(F)c4)c3=O)cc12
InChIKey: QOFJEPAQWBCEKF-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 158 nM (pChEMBL 6.800000190734863)
Descriptors: MW 518.52, ALogP 2.74, HBA 8, HBD 2, PSA 111.03, QED 0.26
Compound (SMILES): CC(CNc1ncnc2ccc(C#CCNC(=O)c3cncn(Cc4ccc(F)c(F)c4)c3=O)cc12)c1ccccc1
InChIKey: AOVJVWRBWHRECO-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 445 nM (pChEMBL 6.349999904632568)
Descriptors: MW 564.6, ALogP 4.51, HBA 7, HBD 2, PSA 101.8, QED 0.27
Compound (SMILES): O=C(CNc1ncnc2ccc(C#CCNC(=O)c3cncn(Cc4ccc(F)c(F)c4)c3=O)cc12)c1ccccc1
InChIKey: QZFDAGYQNSGZOO-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 218 nM (pChEMBL 6.659999847412109)
Descriptors: MW 564.55, ALogP 3.59, HBA 8, HBD 2, PSA 118.87, QED 0.22
Compound (SMILES): NC(=O)[C@@H](Cc1ccccc1)Nc1ncnc2ccc(C#CCNC(=O)c3cncn(Cc4ccc(F)c(F)c4)c3=O)cc12
InChIKey: LQGACYHECNXHIH-MUUNZHRXSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 488 nM (pChEMBL 6.309999942779541)
Descriptors: MW 593.59, ALogP 2.8, HBA 8, HBD 3, PSA 144.89, QED 0.22
Compound (SMILES): COc1ccc(CCNc2ncnc3ccc(C#CCNC(=O)c4cncn(Cc5ccc(F)c(F)c5)c4=O)cc23)cc1
InChIKey: RNNNSRXPNGRIPJ-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 41 nM (pChEMBL 7.389999866485596)
Descriptors: MW 580.6, ALogP 3.96, HBA 8, HBD 2, PSA 111.03, QED 0.25
Compound (SMILES): CN(c1ncnc2ccc(C#CCNC(=O)c3cncn(Cc4ccc(F)c(F)c4)c3=O)cc12)C(C)(C)C
InChIKey: YVMMEVFHRUEESQ-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 500 nM (pChEMBL 6.300000190734863)
Descriptors: MW 516.55, ALogP 3.53, HBA 7, HBD 1, PSA 93.01, QED 0.41
Compound (SMILES): CN(c1ncnc2ccc(C#CCNC(=O)c3cncn(Cc4ccc(F)c(F)c4)c3=O)cc12)C1CC1
InChIKey: YVTCSVSFKRUETE-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 13 nM (pChEMBL 7.889999866485596)
Descriptors: MW 500.51, ALogP 2.89, HBA 7, HBD 1, PSA 93.01, QED 0.41
Compound (SMILES): O=C(NCC#Cc1ccc2ncnc(NC3CCOCC3)c2c1)c1cncn(Cc2ccc(F)c(F)c2)c1=O
InChIKey: GFKKCPXAFPAMQN-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 515 nM (pChEMBL 6.289999961853027)
Descriptors: MW 530.54, ALogP 2.89, HBA 8, HBD 2, PSA 111.03, QED 0.37
Compound (SMILES): CN(c1ncnc2ccc(C#CCNC(=O)c3cncn(Cc4ccc(F)c(F)c4)c3=O)cc12)C1CCCCC1
InChIKey: AUFNVQNREURZCK-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 371 nM (pChEMBL 6.429999828338623)
Descriptors: MW 542.59, ALogP 4.06, HBA 7, HBD 1, PSA 93.01, QED 0.37
Compound (SMILES): O=C(NCC#Cc1ccc2ncnc(NC3CCN(Cc4ccccc4)CC3)c2c1)c1cncn(Cc2ccc(F)c(F)c2)c1=O
InChIKey: KERKWIBHEZLKME-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 142 nM (pChEMBL 6.849999904632568)
Descriptors: MW 619.68, ALogP 4.37, HBA 8, HBD 2, PSA 105.04, QED 0.25
Compound (SMILES): O=C(NCC#Cc1ccc2ncnc(NC3CCN(CCO)CC3)c2c1)c1cncn(Cc2ccc(F)c(F)c2)c1=O
InChIKey: WCNLDXWWUZAGEU-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 77 nM (pChEMBL 7.110000133514404)
Descriptors: MW 573.6, ALogP 2.16, HBA 9, HBD 3, PSA 125.27, QED 0.27
Compound (SMILES): CC1CN(C)CCC1Nc1ncnc2ccc(C#CCNC(=O)c3cncn(Cc4ccc(F)c(F)c4)c3=O)cc12
InChIKey: MBNDIBYXCWCDCH-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 126 nM (pChEMBL 6.900000095367432)
Descriptors: MW 557.61, ALogP 3.05, HBA 8, HBD 2, PSA 105.04, QED 0.35
Compound (SMILES): CNc1ncnc2ccc(C#CCNC(=O)c3cccn(Cc4ccsc4)c3=O)cc12
InChIKey: PHXUVOFTTZZZGX-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 199 nM (pChEMBL 6.699999809265137)
Descriptors: MW 429.51, ALogP 2.72, HBA 7, HBD 2, PSA 88.91, QED 0.48
Compound (SMILES): O=C(NCC#Cc1ccc2ncnc(N3CCCC3)c2c1)c1cccn(Cc2ccc(F)c(F)c2)c1=O
InChIKey: YSLZFLRQQQXXPU-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 52 nM (pChEMBL 7.28000020980835)
Descriptors: MW 499.52, ALogP 3.5, HBA 6, HBD 1, PSA 80.12, QED 0.43
Compound (SMILES): CNCCCN(C)c1ncnc2ccc(C#CCNC(=O)c3cccn(Cc4ccc(F)c(F)c4)c3=O)cc12
InChIKey: LNWZJVSUDLKXEQ-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 110 nM (pChEMBL 6.960000038146973)
Descriptors: MW 530.58, ALogP 2.95, HBA 7, HBD 2, PSA 92.15, QED 0.26
Compound (SMILES): CN1CCCN(c2ncnc3ccc(C#CCNC(=O)c4cccn(Cc5ccc(F)c(F)c5)c4=O)cc23)CC1
InChIKey: QMSSDBIPVASFMX-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 156 nM (pChEMBL 6.809999942779541)
Descriptors: MW 542.59, ALogP 3.04, HBA 7, HBD 1, PSA 83.36, QED 0.39
Compound (SMILES): CC(=O)N[C@@H]1CCN(c2ncnc3ccc(C#CCNC(=O)c4cccn(Cc5ccc(F)c(F)c5)c4=O)cc23)C1
InChIKey: HPCIXJBMLDXVNJ-JOCHJYFZSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 21 nM (pChEMBL 7.679999828338623)
Descriptors: MW 556.57, ALogP 2.61, HBA 7, HBD 2, PSA 109.22, QED 0.35
Compound (SMILES): O=C(NCC#Cc1ccc2ncnc(N3CC[C@H](O)C3)c2c1)c1cccn(Cc2ccc(F)c(F)c2)c1=O
InChIKey: DGUYSXXPQLNDSU-FQEVSTJZSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 114 nM (pChEMBL 6.940000057220459)
Descriptors: MW 515.52, ALogP 2.47, HBA 7, HBD 2, PSA 100.35, QED 0.4
Compound (SMILES): CC(C)(CO)CNc1ncnc2ccc(C#CCNC(=O)c3cccn(Cc4ccc(F)c(F)c4)c3=O)cc12
InChIKey: SXRFVDZTIAXYBV-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 124 nM (pChEMBL 6.909999847412109)
Descriptors: MW 531.56, ALogP 3.33, HBA 7, HBD 3, PSA 109.14, QED 0.3
Compound (SMILES): NC(=O)CCNc1ncnc2ccc(C#CCNC(=O)c3cccn(Cc4ccc(F)c(F)c4)c3=O)cc12
InChIKey: WGFMFQVHJZYMOB-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 79 nM (pChEMBL 7.099999904632568)
Descriptors: MW 516.51, ALogP 2.19, HBA 7, HBD 3, PSA 132, QED 0.31
Compound (SMILES): CN(CCCO)c1ncnc2ccc(C#CCNC(=O)c3cccn(Cc4ccc(F)c(F)c4)c3=O)cc12
InChIKey: MDGYXWTUPOWIQX-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 59 nM (pChEMBL 7.230000019073486)
Descriptors: MW 517.54, ALogP 2.72, HBA 7, HBD 2, PSA 100.35, QED 0.35
Compound (SMILES): NC(=O)CNc1ncnc2ccc(C#CCNC(=O)c3cccn(Cc4ccc(F)c(F)c4)c3=O)cc12
InChIKey: PZGZEZZJQMNROS-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 59 nM (pChEMBL 7.230000019073486)
Descriptors: MW 502.48, ALogP 1.8, HBA 7, HBD 3, PSA 132, QED 0.33
Compound (SMILES): CC1(CNc2ncnc3ccc(C#CCNC(=O)c4cccn(Cc5ccc(F)c(F)c5)c4=O)cc23)COC1
InChIKey: VOZXQZFIKWNHKA-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 468 nM (pChEMBL 6.329999923706055)
Descriptors: MW 529.55, ALogP 3.35, HBA 7, HBD 2, PSA 98.14, QED 0.36
Compound (SMILES): O=C(NCC#Cc1ccc2ncnc(NCC(O)CO)c2c1)c1cccn(Cc2ccc(F)c(F)c2)c1=O
InChIKey: LPWWFQHKHMRHRV-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 44 nM (pChEMBL 7.360000133514404)
Descriptors: MW 519.51, ALogP 1.66, HBA 8, HBD 4, PSA 129.37, QED 0.26
Compound (SMILES): CN1CCC(CNc2ncnc3ccc(C#CCNC(=O)c4cccn(Cc5ccc(F)c(F)c5)c4=O)cc23)C1
InChIKey: WOCXUJOMSDZYKB-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 97 nM (pChEMBL 7.010000228881836)
Descriptors: MW 542.59, ALogP 3.26, HBA 7, HBD 2, PSA 92.15, QED 0.35
Compound (SMILES): CN1CCCC1CCNc1ncnc2ccc(C#CCNC(=O)c3cccn(Cc4ccc(F)c(F)c4)c3=O)cc12
InChIKey: MITCADPVEAZLNA-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 137 nM (pChEMBL 6.860000133514404)
Descriptors: MW 556.62, ALogP 3.8, HBA 7, HBD 2, PSA 92.15, QED 0.32
Compound (SMILES): CN(C)C1CCN(c2ncnc3ccc(C#CCNC(=O)c4cccn(Cc5ccc(F)c(F)c5)c4=O)cc23)CC1
InChIKey: NSIHTFBBNKXRMW-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 74 nM (pChEMBL 7.130000114440918)
Descriptors: MW 556.62, ALogP 3.43, HBA 7, HBD 1, PSA 83.36, QED 0.37
Compound (SMILES): CC1(O)CCN(c2ncnc3ccc(C#CCNC(=O)c4cccn(Cc5ccc(F)c(F)c5)c4=O)cc23)CC1
InChIKey: KCPZRKTVNTWBFA-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 61 nM (pChEMBL 7.210000038146973)
Descriptors: MW 543.57, ALogP 3.25, HBA 7, HBD 2, PSA 100.35, QED 0.38
Compound (SMILES): CN(C)c1ncnc2ccc(C#CCNC(=O)c3cccn(Cc4ccn[nH]4)c3=O)cc12
InChIKey: ASBKRHYWWQVEOA-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 697 nM (pChEMBL 6.159999847412109)
Descriptors: MW 427.47, ALogP 1.41, HBA 7, HBD 2, PSA 108.8, QED 0.47
Compound (SMILES): CCN(CC)c1ncnc2ccc(C#CCNC(=O)c3cc(Cl)nn(Cc4ccc(F)c(F)c4)c3=O)cc12
InChIKey: ICQGXCYTJZZTOH-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 8 nM (pChEMBL 8.100000381469727)
Descriptors: MW 536.97, ALogP 3.79, HBA 7, HBD 1, PSA 93.01, QED 0.36
Compound (SMILES): CN(Cc1cnn(-c2ccc(F)cc2)c1)c1ncnc2ccc(C#CCNC(=O)c3cccn(Cc4ccc(F)c(F)c4)c3=O)cc12
InChIKey: JUFQUTRPGRRVNQ-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 40 nM (pChEMBL 7.400000095367432)
Descriptors: MW 633.63, ALogP 4.86, HBA 8, HBD 1, PSA 97.94, QED 0.24
Compound (SMILES): COc1cccc(CN(C)c2ncnc3ccc(C#CCNC(=O)c4cccn(Cc5ccc(F)c(F)c5)c4=O)cc23)c1
InChIKey: BCZWPQDHFUSILG-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 63 nM (pChEMBL 7.199999809265137)
Descriptors: MW 579.61, ALogP 4.54, HBA 7, HBD 1, PSA 89.35, QED 0.27
Compound (SMILES): CN(Cc1cccc2ncccc12)c1ncnc2ccc(C#CCNC(=O)c3cccn(Cc4ccc(F)c(F)c4)c3=O)cc12
InChIKey: KUSHOUBLPHWLLJ-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 6 nM (pChEMBL 8.220000267028809)
Descriptors: MW 600.63, ALogP 5.08, HBA 7, HBD 1, PSA 93.01, QED 0.26
Compound (SMILES): CCN1CCC(CN(C)c2ncnc3ccc(C#CCNC(=O)c4cccn(Cc5ccc(F)c(F)c5)c4=O)cc23)C1
InChIKey: FALBXCRXVSLJCG-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 117 nM (pChEMBL 6.929999828338623)
Descriptors: MW 570.64, ALogP 3.68, HBA 7, HBD 1, PSA 83.36, QED 0.33
Compound (SMILES): CN(c1ccccc1)c1ncnc2ccc(C#CCNC(=O)c3cncn(Cc4ccc(F)c(F)c4)c3=O)cc12
InChIKey: IUTKMHVZSKNMPM-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 15 nM (pChEMBL 7.820000171661377)
Descriptors: MW 536.54, ALogP 4.06, HBA 7, HBD 1, PSA 93.01, QED 0.33
Compound (SMILES): CCN(CC)c1ncnc2ccc(C#CCNC(=O)c3c(C)n(CCO)n(Cc4ccc(F)c(F)c4)c3=O)cc12
InChIKey: QPCWEUSSXCSHHD-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 50 nM (pChEMBL 7.300000190734863)
Descriptors: MW 548.59, ALogP 2.85, HBA 8, HBD 2, PSA 105.28, QED 0.31
Compound (SMILES): CN(C)C(=O)CNc1ncnc2ccc(C#CCNC(=O)c3cccn(Cc4ccc(F)c(F)c4)c3=O)cc12
InChIKey: HRXYLVATEVNHAM-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 182 nM (pChEMBL 6.739999771118164)
Descriptors: MW 530.54, ALogP 2.4, HBA 7, HBD 2, PSA 109.22, QED 0.36
Compound (SMILES): CNc1ncnc2ccc(C#CCNC(=O)c3cccn(Cc4ccoc4)c3=O)cc12
InChIKey: JBEHAVRYXYGASW-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 770 nM (pChEMBL 6.110000133514404)
Descriptors: MW 413.44, ALogP 2.26, HBA 7, HBD 2, PSA 102.05, QED 0.49
Compound (SMILES): COc1ccc(CN(C)c2ncnc3ccc(C#CCNC(=O)c4cccn(Cc5ccc(F)c(F)c5)c4=O)cc23)cc1
InChIKey: HIJUHJFRDUEIHL-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 6 nM (pChEMBL 8.220000267028809)
Descriptors: MW 579.61, ALogP 4.54, HBA 7, HBD 1, PSA 89.35, QED 0.27
Compound (SMILES): CNc1ncnc2ccc(C#CCNC(=O)c3cncn(Cc4ccccc4F)c3=O)cc12
InChIKey: XQILEVRFAZUFDP-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 486 nM (pChEMBL 6.309999942779541)
Descriptors: MW 442.45, ALogP 2.2, HBA 7, HBD 2, PSA 101.8, QED 0.46
Compound (SMILES): CCN(CC)c1ncnc2ccc(C#CCNC(=O)c3cccn(C(C)c4ccc(F)c(F)c4)c3=O)cc12
InChIKey: JVAOTOSNGXXNRS-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 8 nM (pChEMBL 8.100000381469727)
Descriptors: MW 515.56, ALogP 4.31, HBA 6, HBD 1, PSA 80.12, QED 0.37
Compound (SMILES): CCN(CC)c1ncnc2ccc(C#CCNC(=O)c3cccn([C@@H](C)c4ccccc4)c3=O)cc12
InChIKey: NCGAAYUCCVMWLH-NRFANRHFSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 60 nM (pChEMBL 7.21999979019165)
Descriptors: MW 479.58, ALogP 4.03, HBA 6, HBD 1, PSA 80.12, QED 0.41
Compound (SMILES): CCN(CC)c1ncnc2ccc(C#CCNC(=O)c3cccn([C@H](CO)c4ccccc4)c3=O)cc12
InChIKey: ZDQHHXYFJYTWBE-AREMUKBSSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 6 nM (pChEMBL 8.220000267028809)
Descriptors: MW 495.58, ALogP 3, HBA 7, HBD 2, PSA 100.35, QED 0.36
Compound (SMILES): CNc1ncnc2ccc(C#CCNC(=O)c3cc(NCCN(C)C)nn(Cc4ccc(F)c(F)c4)c3=O)cc12
InChIKey: VVVXMGKEXUHTKE-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 357 nM (pChEMBL 6.449999809265137)
Descriptors: MW 546.58, ALogP 2.31, HBA 9, HBD 3, PSA 117.07, QED 0.27
Compound (SMILES): CNc1ncnc2ccc(C#CCNC(=O)c3cc(Cl)nn(Cc4ccc(F)c(F)c4)c3=O)cc12
InChIKey: OXXOPTDBHDLYOG-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 10 nM (pChEMBL 8)
Descriptors: MW 494.89, ALogP 2.99, HBA 7, HBD 2, PSA 101.8, QED 0.41
Compound (SMILES): CNc1ncnc2ccc(C#CCNC(=O)c3cc(OC)nn(Cc4ccc(F)c(F)c4)c3=O)cc12
InChIKey: YBHFQHSLDQXPDY-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 9 nM (pChEMBL 8.050000190734863)
Descriptors: MW 490.47, ALogP 2.34, HBA 8, HBD 2, PSA 111.03, QED 0.4
Compound (SMILES): CNc1ncnc2ccc(C#CCNC(=O)c3cccn([C@@H](C)c4ccc(F)c(F)c4)c3=O)cc12
InChIKey: FITCPBVJHMRGEB-INIZCTEOSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 8 nM (pChEMBL 8.100000381469727)
Descriptors: MW 473.48, ALogP 3.5, HBA 6, HBD 2, PSA 88.91, QED 0.43
Compound (SMILES): CONc1ncnc2ccc(C#CCNC(=O)c3cncn(Cc4ccc(F)c(F)c4)c3=O)cc12
InChIKey: VZLUWRNHVAOFKO-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 57 nM (pChEMBL 7.239999771118164)
Descriptors: MW 476.44, ALogP 2.27, HBA 8, HBD 2, PSA 111.03, QED 0.32
Compound (SMILES): CON(C)c1ncnc2ccc(C#CCNC(=O)c3cncn(Cc4ccc(F)c(F)c4)c3=O)cc12
InChIKey: MQMKGCLHOOWNER-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 16 nM (pChEMBL 7.800000190734863)
Descriptors: MW 490.47, ALogP 2.29, HBA 8, HBD 1, PSA 102.24, QED 0.33
Compound (SMILES): CNc1ncnc2ccc(C#CCNC(=O)c3cccn([C@H](CO)c4ccccc4)c3=O)cc12
InChIKey: XWKOUBFXWKIIJJ-HSZRJFAPSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 14 nM (pChEMBL 7.849999904632568)
Descriptors: MW 453.5, ALogP 2.2, HBA 7, HBD 3, PSA 109.14, QED 0.39
Compound (SMILES): O=C(NCC#Cc1ccc2ncnc(-c3cn[nH]c3)c2c1)c1cncn(Cc2ccc(F)c(F)c2)c1=O
InChIKey: AYKHAQCSHOAWDC-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 57 nM (pChEMBL 7.239999771118164)
Descriptors: MW 497.47, ALogP 2.68, HBA 7, HBD 2, PSA 118.45, QED 0.36
Compound (SMILES): O=C(NCC#Cc1ccc2ncnc(-c3ccccc3)c2c1)c1cncn(Cc2ccc(F)c(F)c2)c1=O
InChIKey: WESDHGZNZJHYCH-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 58 nM (pChEMBL 7.239999771118164)
Descriptors: MW 507.5, ALogP 3.96, HBA 6, HBD 1, PSA 89.77, QED 0.36
Compound (SMILES): Cc1ncnc2ccc(C#CCNC(=O)c3cncn(Cc4ccc(F)c(F)c4)c3=O)cc12
InChIKey: VXARTAIIYGQJAB-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 98 nM (pChEMBL 7.010000228881836)
Descriptors: MW 445.43, ALogP 2.6, HBA 6, HBD 1, PSA 89.77, QED 0.49
Compound (SMILES): O=C(NCC#Cc1ccc2ncnc(C3=CCNCC3)c2c1)c1cncn(Cc2ccc(F)c(F)c2)c1=O
InChIKey: BGBKYYGEUMXMMF-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 96 nM (pChEMBL 7.019999980926514)
Descriptors: MW 512.52, ALogP 2.67, HBA 7, HBD 2, PSA 101.8, QED 0.4
Compound (SMILES): CN(C)CCCNC(=O)c1cnc2ccc(C#CCNC(=O)c3cncn(Cc4ccc(F)c(F)c4)c3=O)cc2c1
InChIKey: MLTGBTLALOAPTR-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 20 nM (pChEMBL 7.699999809265137)
Descriptors: MW 558.59, ALogP 2.58, HBA 7, HBD 2, PSA 109.22, QED 0.24
Compound (SMILES): CCN(CC)C(=O)c1cnc2ccc(C#CCNC(=O)c3cncn(Cc4ccc(F)c(F)c4)c3=O)cc2c1
InChIKey: CSTXWDOYMRKUPT-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 1000 nM (pChEMBL 6)
Descriptors: MW 529.55, ALogP 3.38, HBA 6, HBD 1, PSA 97.19, QED 0.37
Compound (SMILES): CNC(=O)c1cnc2ccc(C#CCNC(=O)c3cncn(Cc4ccc(F)c(F)c4)c3=O)cc2c1
InChIKey: ILGQWFCYJCHFOU-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 45 nM (pChEMBL 7.349999904632568)
Descriptors: MW 487.47, ALogP 2.26, HBA 6, HBD 2, PSA 105.98, QED 0.42
Compound (SMILES): O=C(NC1CC1)c1cnc2ccc(C#CCNC(=O)c3cncn(Cc4ccc(F)c(F)c4)c3=O)cc2c1
InChIKey: VBIMIAIGBDNDCJ-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 31 nM (pChEMBL 7.510000228881836)
Descriptors: MW 513.5, ALogP 2.79, HBA 6, HBD 2, PSA 105.98, QED 0.39
Compound (SMILES): CN1CCC(NC(=O)c2cnc3ccc(C#CCNC(=O)c4cncn(Cc5ccc(F)c(F)c5)c4=O)cc3c2)CC1
InChIKey: RMXMYRNLCBTBJC-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 12 nM (pChEMBL 7.920000076293945)
Descriptors: MW 570.6, ALogP 2.72, HBA 7, HBD 2, PSA 109.22, QED 0.35
Compound (SMILES): CCNC(=O)c1cnc2ccc(C#CCNC(=O)c3cncn(Cc4ccc(F)c(F)c4)c3=O)cc2c1
InChIKey: NVZBTIUJYCVIRM-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 31 nM (pChEMBL 7.510000228881836)
Descriptors: MW 501.49, ALogP 2.65, HBA 6, HBD 2, PSA 105.98, QED 0.4
Compound (SMILES): CC(C)NC(=O)c1cnc2ccc(C#CCNC(=O)c3cncn(Cc4ccc(F)c(F)c4)c3=O)cc2c1
InChIKey: HAAHWSWGSZBKDQ-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 53 nM (pChEMBL 7.28000020980835)
Descriptors: MW 515.52, ALogP 3.04, HBA 6, HBD 2, PSA 105.98, QED 0.38
Compound (SMILES): CCN1CCN(C(=O)c2cnc3ccc(C#CCNC(=O)c4cncn(Cc5ccc(F)c(F)c5)c4=O)cc3c2)CC1
InChIKey: CBWRUAZKKDZXBP-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 402 nM (pChEMBL 6.400000095367432)
Descriptors: MW 570.6, ALogP 2.68, HBA 7, HBD 1, PSA 100.43, QED 0.36
Compound (SMILES): CN(C)CCCN(C)C(=O)c1cnc2ccc(C#CCNC(=O)c3cncn(Cc4ccc(F)c(F)c4)c3=O)cc2c1
InChIKey: LYPVVCSJICRCBT-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 201 nM (pChEMBL 6.699999809265137)
Descriptors: MW 572.62, ALogP 2.92, HBA 7, HBD 1, PSA 100.43, QED 0.31
Compound (SMILES): CN1CCCC(NC(=O)c2cnc3ccc(C#CCNC(=O)c4cncn(Cc5ccc(F)c(F)c5)c4=O)cc3c2)C1
InChIKey: WMNFQSASTFRMSE-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 64 nM (pChEMBL 7.190000057220459)
Descriptors: MW 570.6, ALogP 2.72, HBA 7, HBD 2, PSA 109.22, QED 0.35
Compound (SMILES): CN1CC(NC(=O)c2cnc3ccc(C#CCNC(=O)c4cncn(Cc5ccc(F)c(F)c5)c4=O)cc3c2)C1
InChIKey: DYUDPWPLSMJUJL-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 20 nM (pChEMBL 7.699999809265137)
Descriptors: MW 542.55, ALogP 1.94, HBA 7, HBD 2, PSA 109.22, QED 0.36
Compound (SMILES): O=C(NCC#Cc1ccc2ncc(C(=O)N3CCOCC3)cc2c1)c1cncn(Cc2ccc(F)c(F)c2)c1=O
InChIKey: NZXJKAAVXCXGFA-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 531 nM (pChEMBL 6.28000020980835)
Descriptors: MW 543.53, ALogP 2.37, HBA 7, HBD 1, PSA 106.42, QED 0.39
Compound (SMILES): O=C(NCC#Cc1ccc2ncc(C(=O)N3CCNCC3)cc2c1)c1cncn(Cc2ccc(F)c(F)c2)c1=O
InChIKey: ZZYFYYCWAGXESG-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 286 nM (pChEMBL 6.539999961853027)
Descriptors: MW 542.55, ALogP 1.94, HBA 7, HBD 2, PSA 109.22, QED 0.37
Compound (SMILES): CN1CCN(C(=O)c2cnc3ccc(C#CCNC(=O)c4cncn(Cc5ccc(F)c(F)c5)c4=O)cc3c2)CC1
InChIKey: HJKMMICCZKUYLG-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 405 nM (pChEMBL 6.389999866485596)
Descriptors: MW 556.57, ALogP 2.29, HBA 7, HBD 1, PSA 100.43, QED 0.38
Compound (SMILES): COCCN1CCN(C(=O)c2cnc3ccc(C#CCNC(=O)c4cncn(Cc5ccc(F)c(F)c5)c4=O)cc3c2)CC1
InChIKey: YHHBFZHJAAWBOD-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 1000 nM (pChEMBL 6)
Descriptors: MW 600.63, ALogP 2.3, HBA 8, HBD 1, PSA 109.66, QED 0.31
Compound (SMILES): CN(C)C(=O)c1cnc2ccc(C#CCNC(=O)c3cncn(Cc4ccc(F)c(F)c4)c3=O)cc2c1
InChIKey: CSXQQZQZKBFROH-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 355 nM (pChEMBL 6.449999809265137)
Descriptors: MW 501.49, ALogP 2.6, HBA 6, HBD 1, PSA 97.19, QED 0.42
Compound (SMILES): CN1CCC(NC(=O)c2cnc3ccc(C#CCNC(=O)c4cncn(Cc5ccc(F)c(F)c5)c4=O)cc3c2)C1
InChIKey: QOQJFNLFVHFFBG-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 24 nM (pChEMBL 7.619999885559082)
Descriptors: MW 556.57, ALogP 2.33, HBA 7, HBD 2, PSA 109.22, QED 0.35
Compound (SMILES): O=C(NCC#Cc1ccc2nccc(-c3cc[nH]c3)c2c1)c1cncn(Cc2ccc(F)c(F)c2)c1=O
InChIKey: JHNBFXMHLPJUBN-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 19 nM (pChEMBL 7.71999979019165)
Descriptors: MW 495.49, ALogP 3.89, HBA 5, HBD 2, PSA 92.67, QED 0.36
Compound (SMILES): O=C(NCC#Cc1ccc2nccc(-c3cn[nH]c3)c2c1)c1cncn(Cc2ccc(F)c(F)c2)c1=O
InChIKey: VEXRZLGUJBIYCN-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 35 nM (pChEMBL 7.460000038146973)
Descriptors: MW 496.48, ALogP 3.29, HBA 6, HBD 2, PSA 105.56, QED 0.36
Compound (SMILES): O=C(NCC#Cc1ccc2nccc(C3=CCNCC3)c2c1)c1cncn(Cc2ccc(F)c(F)c2)c1=O
InChIKey: YZBBAWGSULIVKB-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 86 nM (pChEMBL 7.070000171661377)
Descriptors: MW 511.53, ALogP 3.28, HBA 6, HBD 2, PSA 88.91, QED 0.4
Compound (SMILES): O=C(NCC#Cc1ccc2nccc(C3=CCCNC3)c2c1)c1cncn(Cc2ccc(F)c(F)c2)c1=O
InChIKey: CNXWNILODIAPHH-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 14 nM (pChEMBL 7.849999904632568)
Descriptors: MW 511.53, ALogP 3.28, HBA 6, HBD 2, PSA 88.91, QED 0.4
Compound (SMILES): Cc1ccnc2ccc(C#CCNC(=O)c3cncn(Cc4ccc(F)c(F)c4)c3=O)cc12
InChIKey: TYTDAOHNLCOCSD-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 56 nM (pChEMBL 7.25)
Descriptors: MW 444.44, ALogP 3.21, HBA 5, HBD 1, PSA 76.88, QED 0.49
Compound (SMILES): Cc1n[nH]cc1-c1ccnc2ccc(C#CCNC(=O)c3cncn(Cc4ccc(F)c(F)c4)c3=O)cc12
InChIKey: HWBGNIQVIMKWFP-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 24 nM (pChEMBL 7.619999885559082)
Descriptors: MW 510.5, ALogP 3.6, HBA 6, HBD 2, PSA 105.56, QED 0.35
Compound (SMILES): CN(C)c1c(C#N)cnc2ccc(C#CCNC(=O)c3cccn(Cc4ccc(F)c(F)c4)c3=O)cc12
InChIKey: OEHPGPIPTZBTOO-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 27 nM (pChEMBL 7.570000171661377)
Descriptors: MW 497.51, ALogP 3.44, HBA 6, HBD 1, PSA 91.02, QED 0.43
Compound (SMILES): CN(c1c(C#N)cnc2ccc(C#CCNC(=O)c3cccn(Cc4ccc(F)c(F)c4)c3=O)cc12)C1CCCCC1
InChIKey: HQOYAFMUFSCSAB-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 544 nM (pChEMBL 6.260000228881836)
Descriptors: MW 565.62, ALogP 5.15, HBA 6, HBD 1, PSA 91.02, QED 0.33
Compound (SMILES): N#Cc1cnc2ccc(C#CCNC(=O)c3cccn(Cc4ccc(F)c(F)c4)c3=O)cc2c1NCCc1ccccc1
InChIKey: CCSNBDKLLFXSHJ-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 607 nM (pChEMBL 6.21999979019165)
Descriptors: MW 573.6, ALogP 5.03, HBA 6, HBD 2, PSA 99.81, QED 0.25