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PubMed code 27078757

Compile data set for download or QSAR
Found 121 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50184464
PNG
(CHEMBL3822644)
Show SMILES C[C@@H](N)C(=O)N1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C |r|
Show InChI InChI=1/C24H28ClN9O/c1-14(26)23(35)32-10-7-17(8-11-32)34-16(3)21(15(2)31-34)29-24-27-13-19(25)22(30-24)18-12-28-33-9-5-4-6-20(18)33/h4-6,9,12-14,17H,7-8,10-11,26H2,1-3H3,(H,27,29,30)/t14-/s2
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IGF-1R using fluorescent labeled FL-KKSRGDYMTMQIG-CONH2 as substrate after 1 hr 50 mins


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50184462
PNG
(CHEMBL3823154)
Show SMILES Cc1nn(C2CCN(CC2)C(=O)CN)c(C)c1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12
Show InChI InChI=1S/C23H26ClN9O/c1-14-21(15(2)33(30-14)16-6-9-31(10-7-16)20(34)11-25)28-23-26-13-18(24)22(29-23)17-12-27-32-8-4-3-5-19(17)32/h3-5,8,12-13,16H,6-7,9-11,25H2,1-2H3,(H,26,28,29)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IGF-1R using fluorescent labeled FL-KKSRGDYMTMQIG-CONH2 as substrate after 1 hr 50 mins


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50184475
PNG
(CHEMBL3822989)
Show SMILES CC(=O)N1CCC(CC1)n1cc(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c(C)n1
Show InChI InChI=1S/C22H23ClN8O/c1-14-19(13-31(28-14)16-6-9-29(10-7-16)15(2)32)26-22-24-12-18(23)21(27-22)17-11-25-30-8-4-3-5-20(17)30/h3-5,8,11-13,16H,6-7,9-10H2,1-2H3,(H,24,26,27)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IGF-1R using fluorescent labeled FL-KKSRGDYMTMQIG-CONH2 as substrate after 1 hr 50 mins


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50184465
PNG
(CHEMBL3822976)
Show SMILES CNCC(=O)N1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C
Show InChI InChI=1S/C24H28ClN9O/c1-15-22(16(2)34(31-15)17-7-10-32(11-8-17)21(35)14-26-3)29-24-27-13-19(25)23(30-24)18-12-28-33-9-5-4-6-20(18)33/h4-6,9,12-13,17,26H,7-8,10-11,14H2,1-3H3,(H,27,29,30)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IGF-1R using fluorescent labeled FL-KKSRGDYMTMQIG-CONH2 as substrate after 1 hr 50 mins


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50184463
PNG
(CHEMBL3824103)
Show SMILES C[C@H](N)C(=O)N1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C |r|
Show InChI InChI=1/C24H28ClN9O/c1-14(26)23(35)32-10-7-17(8-11-32)34-16(3)21(15(2)31-34)29-24-27-13-19(25)22(30-24)18-12-28-33-9-5-4-6-20(18)33/h4-6,9,12-14,17H,7-8,10-11,26H2,1-3H3,(H,27,29,30)/t14-/s2
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IGF-1R using fluorescent labeled FL-KKSRGDYMTMQIG-CONH2 as substrate after 1 hr 50 mins


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50184476
PNG
(CHEMBL3823301)
Show SMILES CC(=O)N1CCC(CC1)n1ncc(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C
Show InChI InChI=1S/C22H23ClN8O/c1-14-19(13-26-31(14)16-6-9-29(10-7-16)15(2)32)27-22-24-12-18(23)21(28-22)17-11-25-30-8-4-3-5-20(17)30/h3-5,8,11-13,16H,6-7,9-10H2,1-2H3,(H,24,27,28)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IGF-1R using fluorescent labeled FL-KKSRGDYMTMQIG-CONH2 as substrate after 1 hr 50 mins


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50184455
PNG
(CHEMBL3824323)
Show SMILES Cc1nn(C2CCN(CCO)CC2)c(C)c1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12
Show InChI InChI=1S/C23H27ClN8O/c1-15-21(16(2)32(29-15)17-6-9-30(10-7-17)11-12-33)27-23-25-14-19(24)22(28-23)18-13-26-31-8-4-3-5-20(18)31/h3-5,8,13-14,17,33H,6-7,9-12H2,1-2H3,(H,25,27,28)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IGF-1R using fluorescent labeled FL-KKSRGDYMTMQIG-CONH2 as substrate after 1 hr 50 mins


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50184457
PNG
(CHEMBL3823095)
Show SMILES CN(C)C(=O)CN1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C
Show InChI InChI=1S/C25H30ClN9O/c1-16-23(17(2)35(31-16)18-8-11-33(12-9-18)15-22(36)32(3)4)29-25-27-14-20(26)24(30-25)19-13-28-34-10-6-5-7-21(19)34/h5-7,10,13-14,18H,8-9,11-12,15H2,1-4H3,(H,27,29,30)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IGF-1R using fluorescent labeled FL-KKSRGDYMTMQIG-CONH2 as substrate after 1 hr 50 mins


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50184452
PNG
(CHEMBL3822943)
Show SMILES CCOc1nn(cc1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12)C1CCN(CC1)C(C)=O
Show InChI InChI=1S/C23H25ClN8O2/c1-3-34-22-19(14-32(29-22)16-7-10-30(11-8-16)15(2)33)27-23-25-13-18(24)21(28-23)17-12-26-31-9-5-4-6-20(17)31/h4-6,9,12-14,16H,3,7-8,10-11H2,1-2H3,(H,25,27,28)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of IGF1-induced human IGF1R autophosphorylation expressed in IGF-1R knock-out mouse fibroblasts


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50184460
PNG
(CHEMBL3822947)
Show SMILES C[C@H](O)C(=O)N1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C |r|
Show InChI InChI=1/C24H27ClN8O2/c1-14-21(15(2)33(30-14)17-7-10-31(11-8-17)23(35)16(3)34)28-24-26-13-19(25)22(29-24)18-12-27-32-9-5-4-6-20(18)32/h4-6,9,12-13,16-17,34H,7-8,10-11H2,1-3H3,(H,26,28,29)/t16-/s2
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IGF-1R using fluorescent labeled FL-KKSRGDYMTMQIG-CONH2 as substrate after 1 hr 50 mins


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50184467
PNG
(CHEMBL3823297)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C24H24ClN7O2/c1-16(33)30-9-11-31(12-10-30)17-6-7-20(22(13-17)34-2)28-24-26-15-19(25)23(29-24)18-14-27-32-8-4-3-5-21(18)32/h3-8,13-15H,9-12H2,1-2H3,(H,26,28,29)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IGF-1R using fluorescent labeled FL-KKSRGDYMTMQIG-CONH2 as substrate after 1 hr 50 mins


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50184456
PNG
(CHEMBL3823962)
Show SMILES CNC(=O)CN1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C
Show InChI InChI=1S/C24H28ClN9O/c1-15-22(16(2)34(31-15)17-7-10-32(11-8-17)14-21(35)26-3)29-24-27-13-19(25)23(30-24)18-12-28-33-9-5-4-6-20(18)33/h4-6,9,12-13,17H,7-8,10-11,14H2,1-3H3,(H,26,35)(H,27,29,30)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IGF-1R using fluorescent labeled FL-KKSRGDYMTMQIG-CONH2 as substrate after 1 hr 50 mins


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50184458
PNG
(CHEMBL3822587)
Show SMILES Cc1nn(C2CCN(CC2)C(=O)CO)c(C)c1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12
Show InChI InChI=1S/C23H25ClN8O2/c1-14-21(15(2)32(29-14)16-6-9-30(10-7-16)20(34)13-33)27-23-25-12-18(24)22(28-23)17-11-26-31-8-4-3-5-19(17)31/h3-5,8,11-12,16,33H,6-7,9-10,13H2,1-2H3,(H,25,27,28)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IGF-1R using fluorescent labeled FL-KKSRGDYMTMQIG-CONH2 as substrate after 1 hr 50 mins


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50184459
PNG
(CHEMBL3822651)
Show SMILES COCC(=O)N1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C
Show InChI InChI=1S/C24H27ClN8O2/c1-15-22(16(2)33(30-15)17-7-10-31(11-8-17)21(34)14-35-3)28-24-26-13-19(25)23(29-24)18-12-27-32-9-5-4-6-20(18)32/h4-6,9,12-13,17H,7-8,10-11,14H2,1-3H3,(H,26,28,29)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IGF-1R using fluorescent labeled FL-KKSRGDYMTMQIG-CONH2 as substrate after 1 hr 50 mins


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50184472
PNG
(CHEMBL3822543)
Show SMILES Cc1c(Nc2ncc(Cl)c(n2)-c2cnc3ccccn23)cnn1C1CCNCC1
Show InChI InChI=1S/C20H21ClN8/c1-13-16(11-25-29(13)14-5-7-22-8-6-14)26-20-24-10-15(21)19(27-20)17-12-23-18-4-2-3-9-28(17)18/h2-4,9-12,14,22H,5-8H2,1H3,(H,24,26,27)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IGF-1R using fluorescent labeled FL-KKSRGDYMTMQIG-CONH2 as substrate after 1 hr 50 mins


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50184450
PNG
(CHEMBL3824296)
Show SMILES Cc1nn(C2CCNCC2)c(C)c1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12
Show InChI InChI=1S/C21H23ClN8/c1-13-19(14(2)30(28-13)15-6-8-23-9-7-15)26-21-24-12-17(22)20(27-21)16-11-25-29-10-4-3-5-18(16)29/h3-5,10-12,15,23H,6-9H2,1-2H3,(H,24,26,27)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IGF-1R using fluorescent labeled FL-KKSRGDYMTMQIG-CONH2 as substrate after 1 hr 50 mins


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50184461
PNG
(CHEMBL3823030)
Show SMILES C[C@@H](O)C(=O)N1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C |r|
Show InChI InChI=1/C24H27ClN8O2/c1-14-21(15(2)33(30-14)17-7-10-31(11-8-17)23(35)16(3)34)28-24-26-13-19(25)22(29-24)18-12-27-32-9-5-4-6-20(18)32/h4-6,9,12-13,16-17,34H,7-8,10-11H2,1-3H3,(H,26,28,29)/t16-/s2
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IGF-1R using fluorescent labeled FL-KKSRGDYMTMQIG-CONH2 as substrate after 1 hr 50 mins


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50184452
PNG
(CHEMBL3822943)
Show SMILES CCOc1nn(cc1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12)C1CCN(CC1)C(C)=O
Show InChI InChI=1S/C23H25ClN8O2/c1-3-34-22-19(14-32(29-22)16-7-10-30(11-8-16)15(2)33)27-23-25-13-18(24)21(28-23)17-12-26-31-9-5-4-6-20(17)31/h4-6,9,12-14,16H,3,7-8,10-11H2,1-2H3,(H,25,27,28)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IGF-1R using fluorescent labeled FL-KKSRGDYMTMQIG-CONH2 as substrate after 1 hr 50 mins


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50184455
PNG
(CHEMBL3824323)
Show SMILES Cc1nn(C2CCN(CCO)CC2)c(C)c1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12
Show InChI InChI=1S/C23H27ClN8O/c1-15-21(16(2)32(29-15)17-6-9-30(10-7-17)11-12-33)27-23-25-14-19(24)22(28-23)18-13-26-31-8-4-3-5-20(18)31/h3-5,8,13-14,17,33H,6-7,9-12H2,1-2H3,(H,25,27,28)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of IGF1-induced human IGF1R autophosphorylation expressed in IGF-1R knock-out mouse fibroblasts


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50184463
PNG
(CHEMBL3824103)
Show SMILES C[C@H](N)C(=O)N1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C |r|
Show InChI InChI=1/C24H28ClN9O/c1-14(26)23(35)32-10-7-17(8-11-32)34-16(3)21(15(2)31-34)29-24-27-13-19(25)22(30-24)18-12-28-33-9-5-4-6-20(18)33/h4-6,9,12-14,17H,7-8,10-11,26H2,1-3H3,(H,27,29,30)/t14-/s2
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of IGF1-induced human IGF1R autophosphorylation expressed in IGF-1R knock-out mouse fibroblasts


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50184465
PNG
(CHEMBL3822976)
Show SMILES CNCC(=O)N1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C
Show InChI InChI=1S/C24H28ClN9O/c1-15-22(16(2)34(31-15)17-7-10-32(11-8-17)21(35)14-26-3)29-24-27-13-19(25)23(30-24)18-12-28-33-9-5-4-6-20(18)33/h4-6,9,12-13,17,26H,7-8,10-11,14H2,1-3H3,(H,27,29,30)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of IGF1-induced human IGF1R autophosphorylation expressed in IGF-1R knock-out mouse fibroblasts


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50184467
PNG
(CHEMBL3823297)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C24H24ClN7O2/c1-16(33)30-9-11-31(12-10-30)17-6-7-20(22(13-17)34-2)28-24-26-15-19(25)23(29-24)18-14-27-32-8-4-3-5-21(18)32/h3-8,13-15H,9-12H2,1-2H3,(H,26,28,29)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of IGF1-induced human IGF1R autophosphorylation expressed in IGF-1R knock-out mouse fibroblasts


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50184450
PNG
(CHEMBL3824296)
Show SMILES Cc1nn(C2CCNCC2)c(C)c1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12
Show InChI InChI=1S/C21H23ClN8/c1-13-19(14(2)30(28-13)15-6-8-23-9-7-15)26-21-24-12-17(22)20(27-21)16-11-25-29-10-4-3-5-18(16)29/h3-5,10-12,15,23H,6-9H2,1-2H3,(H,24,26,27)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of IGF1-induced human IGF1R autophosphorylation expressed in IGF-1R knock-out mouse fibroblasts


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase


(Homo sapiens (Human))
BDBM50184466
PNG
(CHEMBL3823659)
Show SMILES CC(=O)N1CCC(CC1)n1cc(Nc2ncc(Cl)c(n2)-c2cnc3ccccn23)cn1
Show InChI InChI=1S/C21H21ClN8O/c1-14(31)28-8-5-16(6-9-28)30-13-15(10-25-30)26-21-24-11-17(22)20(27-21)18-12-23-19-4-2-3-7-29(18)19/h2-4,7,10-13,16H,5-6,8-9H2,1H3,(H,24,26,27)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CDK7 (unknown origin)


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50184475
PNG
(CHEMBL3822989)
Show SMILES CC(=O)N1CCC(CC1)n1cc(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c(C)n1
Show InChI InChI=1S/C22H23ClN8O/c1-14-19(13-31(28-14)16-6-9-29(10-7-16)15(2)32)26-22-24-12-18(23)21(27-22)17-11-25-30-8-4-3-5-20(17)30/h3-5,8,11-13,16H,6-7,9-10H2,1-2H3,(H,24,26,27)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of IGF1-induced human IGF1R autophosphorylation expressed in IGF-1R knock-out mouse fibroblasts


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50184462
PNG
(CHEMBL3823154)
Show SMILES Cc1nn(C2CCN(CC2)C(=O)CN)c(C)c1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12
Show InChI InChI=1S/C23H26ClN9O/c1-14-21(15(2)33(30-14)16-6-9-31(10-7-16)20(34)11-25)28-23-26-13-18(24)22(29-23)17-12-27-32-8-4-3-5-19(17)32/h3-5,8,12-13,16H,6-7,9-11,25H2,1-2H3,(H,26,28,29)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of IGF1-induced human IGF1R autophosphorylation expressed in IGF-1R knock-out mouse fibroblasts


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50184471
PNG
(CHEMBL3822583)
Show SMILES CC(=O)N1CCC(CC1)n1ncc(Nc2ncc(Cl)c(n2)-c2cnc3ccccn23)c1C
Show InChI InChI=1S/C22H23ClN8O/c1-14-18(12-26-31(14)16-6-9-29(10-7-16)15(2)32)27-22-25-11-17(23)21(28-22)19-13-24-20-5-3-4-8-30(19)20/h3-5,8,11-13,16H,6-7,9-10H2,1-2H3,(H,25,27,28)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IGF-1R using fluorescent labeled FL-KKSRGDYMTMQIG-CONH2 as substrate after 1 hr 50 mins


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50184466
PNG
(CHEMBL3823659)
Show SMILES CC(=O)N1CCC(CC1)n1cc(Nc2ncc(Cl)c(n2)-c2cnc3ccccn23)cn1
Show InChI InChI=1S/C21H21ClN8O/c1-14(31)28-8-5-16(6-9-28)30-13-15(10-25-30)26-21-24-11-17(22)20(27-21)18-12-23-19-4-2-3-7-29(18)19/h2-4,7,10-13,16H,5-6,8-9H2,1H3,(H,24,26,27)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50184457
PNG
(CHEMBL3823095)
Show SMILES CN(C)C(=O)CN1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C
Show InChI InChI=1S/C25H30ClN9O/c1-16-23(17(2)35(31-16)18-8-11-33(12-9-18)15-22(36)32(3)4)29-25-27-14-20(26)24(30-25)19-13-28-34-10-6-5-7-21(19)34/h5-7,10,13-14,18H,8-9,11-12,15H2,1-4H3,(H,27,29,30)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of IGF1-induced human IGF1R autophosphorylation expressed in IGF-1R knock-out mouse fibroblasts


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50184456
PNG
(CHEMBL3823962)
Show SMILES CNC(=O)CN1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C
Show InChI InChI=1S/C24H28ClN9O/c1-15-22(16(2)34(31-15)17-7-10-32(11-8-17)14-21(35)26-3)29-24-27-13-19(25)23(30-24)18-12-28-33-9-5-4-6-20(18)33/h4-6,9,12-13,17H,7-8,10-11,14H2,1-3H3,(H,26,35)(H,27,29,30)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of IGF1-induced human IGF1R autophosphorylation expressed in IGF-1R knock-out mouse fibroblasts


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50184464
PNG
(CHEMBL3822644)
Show SMILES C[C@@H](N)C(=O)N1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C |r|
Show InChI InChI=1/C24H28ClN9O/c1-14(26)23(35)32-10-7-17(8-11-32)34-16(3)21(15(2)31-34)29-24-27-13-19(25)22(30-24)18-12-28-33-9-5-4-6-20(18)33/h4-6,9,12-14,17H,7-8,10-11,26H2,1-3H3,(H,27,29,30)/t14-/s2
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of IGF1-induced human IGF1R autophosphorylation expressed in IGF-1R knock-out mouse fibroblasts


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50184451
PNG
(CHEMBL3823914)
Show SMILES CC(=O)N1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C
Show InChI InChI=1S/C23H25ClN8O/c1-14-21(15(2)32(29-14)17-7-10-30(11-8-17)16(3)33)27-23-25-13-19(24)22(28-23)18-12-26-31-9-5-4-6-20(18)31/h4-6,9,12-13,17H,7-8,10-11H2,1-3H3,(H,25,27,28)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of IGF1-induced human IGF1R autophosphorylation expressed in IGF-1R knock-out mouse fibroblasts


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50184458
PNG
(CHEMBL3822587)
Show SMILES Cc1nn(C2CCN(CC2)C(=O)CO)c(C)c1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12
Show InChI InChI=1S/C23H25ClN8O2/c1-14-21(15(2)32(29-14)16-6-9-30(10-7-16)20(34)13-33)27-23-25-12-18(24)22(28-23)17-11-26-31-8-4-3-5-19(17)31/h3-5,8,11-12,16,33H,6-7,9-10,13H2,1-2H3,(H,25,27,28)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of IGF1-induced human IGF1R autophosphorylation expressed in IGF-1R knock-out mouse fibroblasts


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50184451
PNG
(CHEMBL3823914)
Show SMILES CC(=O)N1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C
Show InChI InChI=1S/C23H25ClN8O/c1-14-21(15(2)32(29-14)17-7-10-30(11-8-17)16(3)33)27-23-25-13-19(24)22(28-23)18-12-26-31-9-5-4-6-20(18)31/h4-6,9,12-13,17H,7-8,10-11H2,1-3H3,(H,25,27,28)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IGF-1R using fluorescent labeled FL-KKSRGDYMTMQIG-CONH2 as substrate after 1 hr 50 mins


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50184453
PNG
(CHEMBL3822619)
Show SMILES CCc1nn(cc1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12)C1CCN(CC1)C(C)=O
Show InChI InChI=1S/C23H25ClN8O/c1-3-19-20(14-32(29-19)16-7-10-30(11-8-16)15(2)33)27-23-25-13-18(24)22(28-23)17-12-26-31-9-5-4-6-21(17)31/h4-6,9,12-14,16H,3,7-8,10-11H2,1-2H3,(H,25,27,28)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IGF-1R using fluorescent labeled FL-KKSRGDYMTMQIG-CONH2 as substrate after 1 hr 50 mins


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50184476
PNG
(CHEMBL3823301)
Show SMILES CC(=O)N1CCC(CC1)n1ncc(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C
Show InChI InChI=1S/C22H23ClN8O/c1-14-19(13-26-31(14)16-6-9-29(10-7-16)15(2)32)27-22-24-12-18(23)21(28-22)17-11-25-30-8-4-3-5-20(17)30/h3-5,8,11-13,16H,6-7,9-10H2,1-2H3,(H,24,27,28)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of IGF1-induced human IGF1R autophosphorylation expressed in IGF-1R knock-out mouse fibroblasts


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50184469
PNG
(CHEMBL3823278)
Show SMILES CC(=O)N1CCC(CC1)n1cc(Nc2ncc(Cl)c(n2)-c2cnc3ccccn23)c(C)n1
Show InChI InChI=1S/C22H23ClN8O/c1-14-18(13-31(28-14)16-6-9-29(10-7-16)15(2)32)26-22-25-11-17(23)21(27-22)19-12-24-20-5-3-4-8-30(19)20/h3-5,8,11-13,16H,6-7,9-10H2,1-2H3,(H,25,26,27)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of IGF1-induced human IGF1R autophosphorylation expressed in IGF-1R knock-out mouse fibroblasts


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50184466
PNG
(CHEMBL3823659)
Show SMILES CC(=O)N1CCC(CC1)n1cc(Nc2ncc(Cl)c(n2)-c2cnc3ccccn23)cn1
Show InChI InChI=1S/C21H21ClN8O/c1-14(31)28-8-5-16(6-9-28)30-13-15(10-25-30)26-21-24-11-17(22)20(27-21)18-12-23-19-4-2-3-7-29(18)19/h2-4,7,10-13,16H,5-6,8-9H2,1H3,(H,24,26,27)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CDK9 (unknown origin)


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50184470
PNG
(CHEMBL3823007)
Show SMILES Cc1nn(cc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)C1CCNCC1
Show InChI InChI=1S/C20H21ClN8/c1-13-16(12-29(27-13)14-5-7-22-8-6-14)25-20-24-10-15(21)19(26-20)17-11-23-18-4-2-3-9-28(17)18/h2-4,9-12,14,22H,5-8H2,1H3,(H,24,25,26)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IGF-1R using fluorescent labeled FL-KKSRGDYMTMQIG-CONH2 as substrate after 1 hr 50 mins


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50184454
PNG
(CHEMBL3822962)
Show SMILES CCc1c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)cnn1C1CCN(CC1)C(C)=O
Show InChI InChI=1S/C23H25ClN8O/c1-3-20-19(14-27-32(20)16-7-10-30(11-8-16)15(2)33)28-23-25-13-18(24)22(29-23)17-12-26-31-9-5-4-6-21(17)31/h4-6,9,12-14,16H,3,7-8,10-11H2,1-2H3,(H,25,28,29)
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n/an/a 39n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IGF-1R using fluorescent labeled FL-KKSRGDYMTMQIG-CONH2 as substrate after 1 hr 50 mins


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 8


(Homo sapiens (Human))
BDBM50184466
PNG
(CHEMBL3823659)
Show SMILES CC(=O)N1CCC(CC1)n1cc(Nc2ncc(Cl)c(n2)-c2cnc3ccccn23)cn1
Show InChI InChI=1S/C21H21ClN8O/c1-14(31)28-8-5-16(6-9-28)30-13-15(10-25-30)26-21-24-11-17(22)20(27-21)18-12-23-19-4-2-3-7-29(18)19/h2-4,7,10-13,16H,5-6,8-9H2,1H3,(H,24,26,27)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CDK8 (unknown origin)


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50184466
PNG
(CHEMBL3823659)
Show SMILES CC(=O)N1CCC(CC1)n1cc(Nc2ncc(Cl)c(n2)-c2cnc3ccccn23)cn1
Show InChI InChI=1S/C21H21ClN8O/c1-14(31)28-8-5-16(6-9-28)30-13-15(10-25-30)26-21-24-11-17(22)20(27-21)18-12-23-19-4-2-3-7-29(18)19/h2-4,7,10-13,16H,5-6,8-9H2,1H3,(H,24,26,27)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IGF-1R using fluorescent labeled FL-KKSRGDYMTMQIG-CONH2 as substrate after 1 hr 50 mins


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50184460
PNG
(CHEMBL3822947)
Show SMILES C[C@H](O)C(=O)N1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C |r|
Show InChI InChI=1/C24H27ClN8O2/c1-14-21(15(2)33(30-14)17-7-10-31(11-8-17)23(35)16(3)34)28-24-26-13-19(25)22(29-24)18-12-27-32-9-5-4-6-20(18)32/h4-6,9,12-13,16-17,34H,7-8,10-11H2,1-3H3,(H,26,28,29)/t16-/s2
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of IGF1-induced human IGF1R autophosphorylation expressed in IGF-1R knock-out mouse fibroblasts


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50184474
PNG
(CHEMBL3823522)
Show SMILES COc1nn(cc1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12)C1CCN(CC1)C(C)=O
Show InChI InChI=1S/C22H23ClN8O2/c1-14(32)29-9-6-15(7-10-29)31-13-18(21(28-31)33-2)26-22-24-12-17(23)20(27-22)16-11-25-30-8-4-3-5-19(16)30/h3-5,8,11-13,15H,6-7,9-10H2,1-2H3,(H,24,26,27)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of IGF1-induced human IGF1R autophosphorylation expressed in IGF-1R knock-out mouse fibroblasts


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50184461
PNG
(CHEMBL3823030)
Show SMILES C[C@@H](O)C(=O)N1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C |r|
Show InChI InChI=1/C24H27ClN8O2/c1-14-21(15(2)33(30-14)17-7-10-31(11-8-17)23(35)16(3)34)28-24-26-13-19(25)22(29-24)18-12-27-32-9-5-4-6-20(18)32/h4-6,9,12-13,16-17,34H,7-8,10-11H2,1-3H3,(H,26,28,29)/t16-/s2
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of IGF1-induced human IGF1R autophosphorylation expressed in IGF-1R knock-out mouse fibroblasts


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50184459
PNG
(CHEMBL3822651)
Show SMILES COCC(=O)N1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C
Show InChI InChI=1S/C24H27ClN8O2/c1-15-22(16(2)33(30-15)17-7-10-31(11-8-17)21(34)14-35-3)28-24-26-13-19(25)23(29-24)18-12-27-32-9-5-4-6-20(18)32/h4-6,9,12-13,17H,7-8,10-11,14H2,1-3H3,(H,26,28,29)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of IGF1-induced human IGF1R autophosphorylation expressed in IGF-1R knock-out mouse fibroblasts


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50184473
PNG
(CHEMBL3823929)
Show SMILES CC(=O)N1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnc3ccccn23)c1C
Show InChI InChI=1S/C23H25ClN8O/c1-14-21(15(2)32(29-14)17-7-10-30(11-8-17)16(3)33)27-23-26-12-18(24)22(28-23)19-13-25-20-6-4-5-9-31(19)20/h4-6,9,12-13,17H,7-8,10-11H2,1-3H3,(H,26,27,28)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IGF-1R using fluorescent labeled FL-KKSRGDYMTMQIG-CONH2 as substrate after 1 hr 50 mins


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50184474
PNG
(CHEMBL3823522)
Show SMILES COc1nn(cc1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12)C1CCN(CC1)C(C)=O
Show InChI InChI=1S/C22H23ClN8O2/c1-14(32)29-9-6-15(7-10-29)31-13-18(21(28-31)33-2)26-22-24-12-17(23)20(27-22)16-11-25-30-8-4-3-5-19(16)30/h3-5,8,11-13,15H,6-7,9-10H2,1-2H3,(H,24,26,27)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IGF-1R using fluorescent labeled FL-KKSRGDYMTMQIG-CONH2 as substrate after 1 hr 50 mins


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50184453
PNG
(CHEMBL3822619)
Show SMILES CCc1nn(cc1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12)C1CCN(CC1)C(C)=O
Show InChI InChI=1S/C23H25ClN8O/c1-3-19-20(14-32(29-19)16-7-10-30(11-8-16)15(2)33)27-23-25-13-18(24)22(28-23)17-12-26-31-9-5-4-6-21(17)31/h4-6,9,12-14,16H,3,7-8,10-11H2,1-2H3,(H,25,27,28)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of IGF1-induced human IGF1R autophosphorylation expressed in IGF-1R knock-out mouse fibroblasts


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50184469
PNG
(CHEMBL3823278)
Show SMILES CC(=O)N1CCC(CC1)n1cc(Nc2ncc(Cl)c(n2)-c2cnc3ccccn23)c(C)n1
Show InChI InChI=1S/C22H23ClN8O/c1-14-18(13-31(28-14)16-6-9-29(10-7-16)15(2)32)26-22-25-11-17(23)21(27-22)19-12-24-20-5-3-4-8-30(19)20/h3-5,8,11-13,16H,6-7,9-10H2,1-2H3,(H,25,26,27)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IGF-1R using fluorescent labeled FL-KKSRGDYMTMQIG-CONH2 as substrate after 1 hr 50 mins


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50184470
PNG
(CHEMBL3823007)
Show SMILES Cc1nn(cc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)C1CCNCC1
Show InChI InChI=1S/C20H21ClN8/c1-13-16(12-29(27-13)14-5-7-22-8-6-14)25-20-24-10-15(21)19(26-20)17-11-23-18-4-2-3-9-28(17)18/h2-4,9-12,14,22H,5-8H2,1H3,(H,24,25,26)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of IGF1-induced human IGF1R autophosphorylation expressed in IGF-1R knock-out mouse fibroblasts


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50184472
PNG
(CHEMBL3822543)
Show SMILES Cc1c(Nc2ncc(Cl)c(n2)-c2cnc3ccccn23)cnn1C1CCNCC1
Show InChI InChI=1S/C20H21ClN8/c1-13-16(11-25-29(13)14-5-7-22-8-6-14)26-20-24-10-15(21)19(27-20)17-12-23-18-4-2-3-9-28(17)18/h2-4,9-12,14,22H,5-8H2,1H3,(H,24,26,27)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of IGF1-induced human IGF1R autophosphorylation expressed in IGF-1R knock-out mouse fibroblasts


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50184475
PNG
(CHEMBL3822989)
Show SMILES CC(=O)N1CCC(CC1)n1cc(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c(C)n1
Show InChI InChI=1S/C22H23ClN8O/c1-14-19(13-31(28-14)16-6-9-29(10-7-16)15(2)32)26-22-24-12-18(23)21(27-22)17-11-25-30-8-4-3-5-20(17)30/h3-5,8,11-13,16H,6-7,9-10H2,1-2H3,(H,24,26,27)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50184466
PNG
(CHEMBL3823659)
Show SMILES CC(=O)N1CCC(CC1)n1cc(Nc2ncc(Cl)c(n2)-c2cnc3ccccn23)cn1
Show InChI InChI=1S/C21H21ClN8O/c1-14(31)28-8-5-16(6-9-28)30-13-15(10-25-30)26-21-24-11-17(22)20(27-21)18-12-23-19-4-2-3-7-29(18)19/h2-4,7,10-13,16H,5-6,8-9H2,1H3,(H,24,26,27)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CDK1 (unknown origin)


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50184468
PNG
(CHEMBL3822858)
Show SMILES COc1nn(cc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)C1CCN(CC1)C(C)=O
Show InChI InChI=1S/C22H23ClN8O2/c1-14(32)29-9-6-15(7-10-29)31-13-17(21(28-31)33-2)26-22-25-11-16(23)20(27-22)18-12-24-19-5-3-4-8-30(18)19/h3-5,8,11-13,15H,6-7,9-10H2,1-2H3,(H,25,26,27)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IGF-1R using fluorescent labeled FL-KKSRGDYMTMQIG-CONH2 as substrate after 1 hr 50 mins


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50184454
PNG
(CHEMBL3822962)
Show SMILES CCc1c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)cnn1C1CCN(CC1)C(C)=O
Show InChI InChI=1S/C23H25ClN8O/c1-3-20-19(14-27-32(20)16-7-10-30(11-8-16)15(2)33)28-23-25-13-18(24)22(29-23)17-12-26-31-9-5-4-6-21(17)31/h4-6,9,12-14,16H,3,7-8,10-11H2,1-2H3,(H,25,28,29)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of IGF1-induced human IGF1R autophosphorylation expressed in IGF-1R knock-out mouse fibroblasts


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50184473
PNG
(CHEMBL3823929)
Show SMILES CC(=O)N1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnc3ccccn23)c1C
Show InChI InChI=1S/C23H25ClN8O/c1-14-21(15(2)32(29-14)17-7-10-30(11-8-17)16(3)33)27-23-26-12-18(24)22(28-23)19-13-25-20-6-4-5-9-31(19)20/h4-6,9,12-13,17H,7-8,10-11H2,1-3H3,(H,26,27,28)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of IGF1-induced human IGF1R autophosphorylation expressed in IGF-1R knock-out mouse fibroblasts


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50184453
PNG
(CHEMBL3822619)
Show SMILES CCc1nn(cc1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12)C1CCN(CC1)C(C)=O
Show InChI InChI=1S/C23H25ClN8O/c1-3-19-20(14-32(29-19)16-7-10-30(11-8-16)15(2)33)27-23-25-13-18(24)22(28-23)17-12-26-31-9-5-4-6-21(17)31/h4-6,9,12-14,16H,3,7-8,10-11H2,1-2H3,(H,25,27,28)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50184471
PNG
(CHEMBL3822583)
Show SMILES CC(=O)N1CCC(CC1)n1ncc(Nc2ncc(Cl)c(n2)-c2cnc3ccccn23)c1C
Show InChI InChI=1S/C22H23ClN8O/c1-14-18(12-26-31(14)16-6-9-29(10-7-16)15(2)32)27-22-25-11-17(23)21(28-22)19-13-24-20-5-3-4-8-30(19)20/h3-5,8,11-13,16H,6-7,9-10H2,1-2H3,(H,25,27,28)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of IGF1-induced human IGF1R autophosphorylation expressed in IGF-1R knock-out mouse fibroblasts


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50184469
PNG
(CHEMBL3823278)
Show SMILES CC(=O)N1CCC(CC1)n1cc(Nc2ncc(Cl)c(n2)-c2cnc3ccccn23)c(C)n1
Show InChI InChI=1S/C22H23ClN8O/c1-14-18(13-31(28-14)16-6-9-29(10-7-16)15(2)32)26-22-25-11-17(23)21(27-22)19-12-24-20-5-3-4-8-30(19)20/h3-5,8,11-13,16H,6-7,9-10H2,1-2H3,(H,25,26,27)
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n/an/a 135n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50184466
PNG
(CHEMBL3823659)
Show SMILES CC(=O)N1CCC(CC1)n1cc(Nc2ncc(Cl)c(n2)-c2cnc3ccccn23)cn1
Show InChI InChI=1S/C21H21ClN8O/c1-14(31)28-8-5-16(6-9-28)30-13-15(10-25-30)26-21-24-11-17(22)20(27-21)18-12-23-19-4-2-3-7-29(18)19/h2-4,7,10-13,16H,5-6,8-9H2,1H3,(H,24,26,27)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of IGF1-induced human IGF1R autophosphorylation expressed in IGF-1R knock-out mouse fibroblasts


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50184471
PNG
(CHEMBL3822583)
Show SMILES CC(=O)N1CCC(CC1)n1ncc(Nc2ncc(Cl)c(n2)-c2cnc3ccccn23)c1C
Show InChI InChI=1S/C22H23ClN8O/c1-14-18(12-26-31(14)16-6-9-29(10-7-16)15(2)32)27-22-25-11-17(23)21(28-22)19-13-24-20-5-3-4-8-30(19)20/h3-5,8,11-13,16H,6-7,9-10H2,1-2H3,(H,25,27,28)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50184468
PNG
(CHEMBL3822858)
Show SMILES COc1nn(cc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)C1CCN(CC1)C(C)=O
Show InChI InChI=1S/C22H23ClN8O2/c1-14(32)29-9-6-15(7-10-29)31-13-17(21(28-31)33-2)26-22-25-11-16(23)20(27-22)18-12-24-19-5-3-4-8-30(18)19/h3-5,8,11-13,15H,6-7,9-10H2,1-2H3,(H,25,26,27)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of IGF1-induced human IGF1R autophosphorylation expressed in IGF-1R knock-out mouse fibroblasts


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50184476
PNG
(CHEMBL3823301)
Show SMILES CC(=O)N1CCC(CC1)n1ncc(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C
Show InChI InChI=1S/C22H23ClN8O/c1-14-19(13-26-31(14)16-6-9-29(10-7-16)15(2)32)27-22-24-12-18(23)21(28-22)17-11-25-30-8-4-3-5-20(17)30/h3-5,8,11-13,16H,6-7,9-10H2,1-2H3,(H,24,27,28)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase


(Homo sapiens (Human))
BDBM50184461
PNG
(CHEMBL3823030)
Show SMILES C[C@@H](O)C(=O)N1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C |r|
Show InChI InChI=1/C24H27ClN8O2/c1-14-21(15(2)33(30-14)17-7-10-31(11-8-17)23(35)16(3)34)28-24-26-13-19(25)22(29-24)18-12-27-32-9-5-4-6-20(18)32/h4-6,9,12-13,16-17,34H,7-8,10-11H2,1-3H3,(H,26,28,29)/t16-/s2
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CDK7 (unknown origin)


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50184463
PNG
(CHEMBL3824103)
Show SMILES C[C@H](N)C(=O)N1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C |r|
Show InChI InChI=1/C24H28ClN9O/c1-14(26)23(35)32-10-7-17(8-11-32)34-16(3)21(15(2)31-34)29-24-27-13-19(25)22(30-24)18-12-28-33-9-5-4-6-20(18)33/h4-6,9,12-14,17H,7-8,10-11,26H2,1-3H3,(H,27,29,30)/t14-/s2
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50184474
PNG
(CHEMBL3823522)
Show SMILES COc1nn(cc1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12)C1CCN(CC1)C(C)=O
Show InChI InChI=1S/C22H23ClN8O2/c1-14(32)29-9-6-15(7-10-29)31-13-18(21(28-31)33-2)26-22-24-12-17(23)20(27-22)16-11-25-30-8-4-3-5-19(16)30/h3-5,8,11-13,15H,6-7,9-10H2,1-2H3,(H,24,26,27)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50184472
PNG
(CHEMBL3822543)
Show SMILES Cc1c(Nc2ncc(Cl)c(n2)-c2cnc3ccccn23)cnn1C1CCNCC1
Show InChI InChI=1S/C20H21ClN8/c1-13-16(11-25-29(13)14-5-7-22-8-6-14)26-20-24-10-15(21)19(27-20)17-12-23-18-4-2-3-9-28(17)18/h2-4,9-12,14,22H,5-8H2,1H3,(H,24,26,27)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50184470
PNG
(CHEMBL3823007)
Show SMILES Cc1nn(cc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)C1CCNCC1
Show InChI InChI=1S/C20H21ClN8/c1-13-16(12-29(27-13)14-5-7-22-8-6-14)25-20-24-10-15(21)19(26-20)17-11-23-18-4-2-3-9-28(17)18/h2-4,9-12,14,22H,5-8H2,1H3,(H,24,25,26)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50184461
PNG
(CHEMBL3823030)
Show SMILES C[C@@H](O)C(=O)N1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C |r|
Show InChI InChI=1/C24H27ClN8O2/c1-14-21(15(2)33(30-14)17-7-10-31(11-8-17)23(35)16(3)34)28-24-26-13-19(25)22(29-24)18-12-27-32-9-5-4-6-20(18)32/h4-6,9,12-13,16-17,34H,7-8,10-11H2,1-3H3,(H,26,28,29)/t16-/s2
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CDK1 (unknown origin)


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50184461
PNG
(CHEMBL3823030)
Show SMILES C[C@@H](O)C(=O)N1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C |r|
Show InChI InChI=1/C24H27ClN8O2/c1-14-21(15(2)33(30-14)17-7-10-31(11-8-17)23(35)16(3)34)28-24-26-13-19(25)22(29-24)18-12-27-32-9-5-4-6-20(18)32/h4-6,9,12-13,16-17,34H,7-8,10-11H2,1-3H3,(H,26,28,29)/t16-/s2
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CDK9 (unknown origin)


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50184468
PNG
(CHEMBL3822858)
Show SMILES COc1nn(cc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)C1CCN(CC1)C(C)=O
Show InChI InChI=1S/C22H23ClN8O2/c1-14(32)29-9-6-15(7-10-29)31-13-17(21(28-31)33-2)26-22-25-11-16(23)20(27-22)18-12-24-19-5-3-4-8-30(18)19/h3-5,8,11-13,15H,6-7,9-10H2,1-2H3,(H,25,26,27)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50184462
PNG
(CHEMBL3823154)
Show SMILES Cc1nn(C2CCN(CC2)C(=O)CN)c(C)c1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12
Show InChI InChI=1S/C23H26ClN9O/c1-14-21(15(2)33(30-14)16-6-9-31(10-7-16)20(34)11-25)28-23-26-13-18(24)22(29-23)17-12-27-32-8-4-3-5-19(17)32/h3-5,8,12-13,16H,6-7,9-11,25H2,1-2H3,(H,26,28,29)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50184452
PNG
(CHEMBL3822943)
Show SMILES CCOc1nn(cc1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12)C1CCN(CC1)C(C)=O
Show InChI InChI=1S/C23H25ClN8O2/c1-3-34-22-19(14-32(29-22)16-7-10-30(11-8-16)15(2)33)27-23-25-13-18(24)21(28-23)17-12-26-31-9-5-4-6-20(17)31/h4-6,9,12-14,16H,3,7-8,10-11H2,1-2H3,(H,25,27,28)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50184461
PNG
(CHEMBL3823030)
Show SMILES C[C@@H](O)C(=O)N1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C |r|
Show InChI InChI=1/C24H27ClN8O2/c1-14-21(15(2)33(30-14)17-7-10-31(11-8-17)23(35)16(3)34)28-24-26-13-19(25)22(29-24)18-12-27-32-9-5-4-6-20(18)32/h4-6,9,12-13,16-17,34H,7-8,10-11H2,1-3H3,(H,26,28,29)/t16-/s2
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERK2 (2 to 360 residues)


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50184461
PNG
(CHEMBL3823030)
Show SMILES C[C@@H](O)C(=O)N1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C |r|
Show InChI InChI=1/C24H27ClN8O2/c1-14-21(15(2)33(30-14)17-7-10-31(11-8-17)23(35)16(3)34)28-24-26-13-19(25)22(29-24)18-12-27-32-9-5-4-6-20(18)32/h4-6,9,12-13,16-17,34H,7-8,10-11H2,1-3H3,(H,26,28,29)/t16-/s2
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 8


(Homo sapiens (Human))
BDBM50184461
PNG
(CHEMBL3823030)
Show SMILES C[C@@H](O)C(=O)N1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C |r|
Show InChI InChI=1/C24H27ClN8O2/c1-14-21(15(2)33(30-14)17-7-10-31(11-8-17)23(35)16(3)34)28-24-26-13-19(25)22(29-24)18-12-27-32-9-5-4-6-20(18)32/h4-6,9,12-13,16-17,34H,7-8,10-11H2,1-3H3,(H,26,28,29)/t16-/s2
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CDK8 (unknown origin)


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50184454
PNG
(CHEMBL3822962)
Show SMILES CCc1c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)cnn1C1CCN(CC1)C(C)=O
Show InChI InChI=1S/C23H25ClN8O/c1-3-20-19(14-27-32(20)16-7-10-30(11-8-16)15(2)33)28-23-25-13-18(24)22(29-23)17-12-26-31-9-5-4-6-21(17)31/h4-6,9,12-14,16H,3,7-8,10-11H2,1-2H3,(H,25,28,29)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50184464
PNG
(CHEMBL3822644)
Show SMILES C[C@@H](N)C(=O)N1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C |r|
Show InChI InChI=1/C24H28ClN9O/c1-14(26)23(35)32-10-7-17(8-11-32)34-16(3)21(15(2)31-34)29-24-27-13-19(25)22(30-24)18-12-28-33-9-5-4-6-20(18)33/h4-6,9,12-14,17H,7-8,10-11,26H2,1-3H3,(H,27,29,30)/t14-/s2
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50184467
PNG
(CHEMBL3823297)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C24H24ClN7O2/c1-16(33)30-9-11-31(12-10-30)17-6-7-20(22(13-17)34-2)28-24-26-15-19(25)23(29-24)18-14-27-32-8-4-3-5-21(18)32/h3-8,13-15H,9-12H2,1-2H3,(H,26,28,29)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50184467
PNG
(CHEMBL3823297)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C24H24ClN7O2/c1-16(33)30-9-11-31(12-10-30)17-6-7-20(22(13-17)34-2)28-24-26-15-19(25)23(29-24)18-14-27-32-8-4-3-5-21(18)32/h3-8,13-15H,9-12H2,1-2H3,(H,26,28,29)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50184451
PNG
(CHEMBL3823914)
Show SMILES CC(=O)N1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C
Show InChI InChI=1S/C23H25ClN8O/c1-14-21(15(2)32(29-14)17-7-10-30(11-8-17)16(3)33)27-23-25-13-19(24)22(28-23)18-12-26-31-9-5-4-6-20(18)31/h4-6,9,12-13,17H,7-8,10-11H2,1-3H3,(H,25,27,28)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50184450
PNG
(CHEMBL3824296)
Show SMILES Cc1nn(C2CCNCC2)c(C)c1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12
Show InChI InChI=1S/C21H23ClN8/c1-13-19(14(2)30(28-13)15-6-8-23-9-7-15)26-21-24-12-17(22)20(27-21)16-11-25-29-10-4-3-5-18(16)29/h3-5,10-12,15,23H,6-9H2,1-2H3,(H,24,26,27)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50184473
PNG
(CHEMBL3823929)
Show SMILES CC(=O)N1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnc3ccccn23)c1C
Show InChI InChI=1S/C23H25ClN8O/c1-14-21(15(2)32(29-14)17-7-10-30(11-8-17)16(3)33)27-23-26-12-18(24)22(28-23)19-13-25-20-6-4-5-9-31(19)20/h4-6,9,12-13,17H,7-8,10-11H2,1-3H3,(H,26,27,28)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50184465
PNG
(CHEMBL3822976)
Show SMILES CNCC(=O)N1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C
Show InChI InChI=1S/C24H28ClN9O/c1-15-22(16(2)34(31-15)17-7-10-32(11-8-17)21(35)14-26-3)29-24-27-13-19(25)23(30-24)18-12-28-33-9-5-4-6-20(18)33/h4-6,9,12-13,17,26H,7-8,10-11,14H2,1-3H3,(H,27,29,30)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50184450
PNG
(CHEMBL3824296)
Show SMILES Cc1nn(C2CCNCC2)c(C)c1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12
Show InChI InChI=1S/C21H23ClN8/c1-13-19(14(2)30(28-13)15-6-8-23-9-7-15)26-21-24-12-17(22)20(27-21)16-11-25-29-10-4-3-5-18(16)29/h3-5,10-12,15,23H,6-9H2,1-2H3,(H,24,26,27)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50184453
PNG
(CHEMBL3822619)
Show SMILES CCc1nn(cc1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12)C1CCN(CC1)C(C)=O
Show InChI InChI=1S/C23H25ClN8O/c1-3-19-20(14-32(29-19)16-7-10-30(11-8-16)15(2)33)27-23-25-13-18(24)22(28-23)17-12-26-31-9-5-4-6-21(17)31/h4-6,9,12-14,16H,3,7-8,10-11H2,1-2H3,(H,25,27,28)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHOK1 cells after 6 mins by electrophysiology assay


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50184469
PNG
(CHEMBL3823278)
Show SMILES CC(=O)N1CCC(CC1)n1cc(Nc2ncc(Cl)c(n2)-c2cnc3ccccn23)c(C)n1
Show InChI InChI=1S/C22H23ClN8O/c1-14-18(13-31(28-14)16-6-9-29(10-7-16)15(2)32)26-22-25-11-17(23)21(27-22)19-12-24-20-5-3-4-8-30(19)20/h3-5,8,11-13,16H,6-7,9-10H2,1-2H3,(H,25,26,27)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHOK1 cells after 6 mins by electrophysiology assay


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50184466
PNG
(CHEMBL3823659)
Show SMILES CC(=O)N1CCC(CC1)n1cc(Nc2ncc(Cl)c(n2)-c2cnc3ccccn23)cn1
Show InChI InChI=1S/C21H21ClN8O/c1-14(31)28-8-5-16(6-9-28)30-13-15(10-25-30)26-21-24-11-17(22)20(27-21)18-12-23-19-4-2-3-7-29(18)19/h2-4,7,10-13,16H,5-6,8-9H2,1H3,(H,24,26,27)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHOK1 cells after 6 mins by electrophysiology assay


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50184452
PNG
(CHEMBL3822943)
Show SMILES CCOc1nn(cc1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12)C1CCN(CC1)C(C)=O
Show InChI InChI=1S/C23H25ClN8O2/c1-3-34-22-19(14-32(29-22)16-7-10-30(11-8-16)15(2)33)27-23-25-13-18(24)21(28-23)17-12-26-31-9-5-4-6-20(17)31/h4-6,9,12-14,16H,3,7-8,10-11H2,1-2H3,(H,25,27,28)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHOK1 cells after 6 mins by electrophysiology assay


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50184468
PNG
(CHEMBL3822858)
Show SMILES COc1nn(cc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)C1CCN(CC1)C(C)=O
Show InChI InChI=1S/C22H23ClN8O2/c1-14(32)29-9-6-15(7-10-29)31-13-17(21(28-31)33-2)26-22-25-11-16(23)20(27-22)18-12-24-19-5-3-4-8-30(18)19/h3-5,8,11-13,15H,6-7,9-10H2,1-2H3,(H,25,26,27)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHOK1 cells after 6 mins by electrophysiology assay


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50184475
PNG
(CHEMBL3822989)
Show SMILES CC(=O)N1CCC(CC1)n1cc(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c(C)n1
Show InChI InChI=1S/C22H23ClN8O/c1-14-19(13-31(28-14)16-6-9-29(10-7-16)15(2)32)26-22-24-12-18(23)21(27-22)17-11-25-30-8-4-3-5-20(17)30/h3-5,8,11-13,16H,6-7,9-10H2,1-2H3,(H,24,26,27)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHOK1 cells after 6 mins by electrophysiology assay


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50184457
PNG
(CHEMBL3823095)
Show SMILES CN(C)C(=O)CN1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C
Show InChI InChI=1S/C25H30ClN9O/c1-16-23(17(2)35(31-16)18-8-11-33(12-9-18)15-22(36)32(3)4)29-25-27-14-20(26)24(30-25)19-13-28-34-10-6-5-7-21(19)34/h5-7,10,13-14,18H,8-9,11-12,15H2,1-4H3,(H,27,29,30)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHOK1 cells after 6 mins by electrophysiology assay


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50184455
PNG
(CHEMBL3824323)
Show SMILES Cc1nn(C2CCN(CCO)CC2)c(C)c1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12
Show InChI InChI=1S/C23H27ClN8O/c1-15-21(16(2)32(29-15)17-6-9-30(10-7-17)11-12-33)27-23-25-14-19(24)22(28-23)18-13-26-31-8-4-3-5-20(18)31/h3-5,8,13-14,17,33H,6-7,9-12H2,1-2H3,(H,25,27,28)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHOK1 cells after 6 mins by electrophysiology assay


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50184460
PNG
(CHEMBL3822947)
Show SMILES C[C@H](O)C(=O)N1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C |r|
Show InChI InChI=1/C24H27ClN8O2/c1-14-21(15(2)33(30-14)17-7-10-31(11-8-17)23(35)16(3)34)28-24-26-13-19(25)22(29-24)18-12-27-32-9-5-4-6-20(18)32/h4-6,9,12-13,16-17,34H,7-8,10-11H2,1-3H3,(H,26,28,29)/t16-/s2
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50184457
PNG
(CHEMBL3823095)
Show SMILES CN(C)C(=O)CN1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C
Show InChI InChI=1S/C25H30ClN9O/c1-16-23(17(2)35(31-16)18-8-11-33(12-9-18)15-22(36)32(3)4)29-25-27-14-20(26)24(30-25)19-13-28-34-10-6-5-7-21(19)34/h5-7,10,13-14,18H,8-9,11-12,15H2,1-4H3,(H,27,29,30)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50184455
PNG
(CHEMBL3824323)
Show SMILES Cc1nn(C2CCN(CCO)CC2)c(C)c1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12
Show InChI InChI=1S/C23H27ClN8O/c1-15-21(16(2)32(29-15)17-6-9-30(10-7-17)11-12-33)27-23-25-14-19(24)22(28-23)18-13-26-31-8-4-3-5-20(18)31/h3-5,8,13-14,17,33H,6-7,9-12H2,1-2H3,(H,25,27,28)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50184459
PNG
(CHEMBL3822651)
Show SMILES COCC(=O)N1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C
Show InChI InChI=1S/C24H27ClN8O2/c1-15-22(16(2)33(30-15)17-7-10-31(11-8-17)21(34)14-35-3)28-24-26-13-19(25)23(29-24)18-12-27-32-9-5-4-6-20(18)32/h4-6,9,12-13,17H,7-8,10-11,14H2,1-3H3,(H,26,28,29)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50184458
PNG
(CHEMBL3822587)
Show SMILES Cc1nn(C2CCN(CC2)C(=O)CO)c(C)c1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12
Show InChI InChI=1S/C23H25ClN8O2/c1-14-21(15(2)32(29-14)16-6-9-30(10-7-16)20(34)13-33)27-23-25-12-18(24)22(28-23)17-11-26-31-8-4-3-5-19(17)31/h3-5,8,11-12,16,33H,6-7,9-10,13H2,1-2H3,(H,25,27,28)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50184474
PNG
(CHEMBL3823522)
Show SMILES COc1nn(cc1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12)C1CCN(CC1)C(C)=O
Show InChI InChI=1S/C22H23ClN8O2/c1-14(32)29-9-6-15(7-10-29)31-13-18(21(28-31)33-2)26-22-24-12-17(23)20(27-22)16-11-25-30-8-4-3-5-19(16)30/h3-5,8,11-13,15H,6-7,9-10H2,1-2H3,(H,24,26,27)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHOK1 cells after 6 mins by electrophysiology assay


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50184451
PNG
(CHEMBL3823914)
Show SMILES CC(=O)N1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C
Show InChI InChI=1S/C23H25ClN8O/c1-14-21(15(2)32(29-14)17-7-10-30(11-8-17)16(3)33)27-23-25-13-19(24)22(28-23)18-12-26-31-9-5-4-6-20(18)31/h4-6,9,12-13,17H,7-8,10-11H2,1-3H3,(H,25,27,28)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50184456
PNG
(CHEMBL3823962)
Show SMILES CNC(=O)CN1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C
Show InChI InChI=1S/C24H28ClN9O/c1-15-22(16(2)34(31-15)17-7-10-32(11-8-17)14-21(35)26-3)29-24-27-13-19(25)23(30-24)18-12-28-33-9-5-4-6-20(18)33/h4-6,9,12-13,17H,7-8,10-11,14H2,1-3H3,(H,26,35)(H,27,29,30)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50184456
PNG
(CHEMBL3823962)
Show SMILES CNC(=O)CN1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C
Show InChI InChI=1S/C24H28ClN9O/c1-15-22(16(2)34(31-15)17-7-10-32(11-8-17)14-21(35)26-3)29-24-27-13-19(25)23(30-24)18-12-28-33-9-5-4-6-20(18)33/h4-6,9,12-13,17H,7-8,10-11,14H2,1-3H3,(H,26,35)(H,27,29,30)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHOK1 cells after 6 mins by electrophysiology assay


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50184454
PNG
(CHEMBL3822962)
Show SMILES CCc1c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)cnn1C1CCN(CC1)C(C)=O
Show InChI InChI=1S/C23H25ClN8O/c1-3-20-19(14-27-32(20)16-7-10-30(11-8-16)15(2)33)28-23-25-13-18(24)22(29-23)17-12-26-31-9-5-4-6-21(17)31/h4-6,9,12-14,16H,3,7-8,10-11H2,1-2H3,(H,25,28,29)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHOK1 cells after 6 mins by electrophysiology assay


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50184459
PNG
(CHEMBL3822651)
Show SMILES COCC(=O)N1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C
Show InChI InChI=1S/C24H27ClN8O2/c1-15-22(16(2)33(30-15)17-7-10-31(11-8-17)21(34)14-35-3)28-24-26-13-19(25)23(29-24)18-12-27-32-9-5-4-6-20(18)32/h4-6,9,12-13,17H,7-8,10-11,14H2,1-3H3,(H,26,28,29)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHOK1 cells after 6 mins by electrophysiology assay


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50184471
PNG
(CHEMBL3822583)
Show SMILES CC(=O)N1CCC(CC1)n1ncc(Nc2ncc(Cl)c(n2)-c2cnc3ccccn23)c1C
Show InChI InChI=1S/C22H23ClN8O/c1-14-18(12-26-31(14)16-6-9-29(10-7-16)15(2)32)27-22-25-11-17(23)21(28-22)19-13-24-20-5-3-4-8-30(19)20/h3-5,8,11-13,16H,6-7,9-10H2,1-2H3,(H,25,27,28)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHOK1 cells after 6 mins by electrophysiology assay


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50184461
PNG
(CHEMBL3823030)
Show SMILES C[C@@H](O)C(=O)N1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C |r|
Show InChI InChI=1/C24H27ClN8O2/c1-14-21(15(2)33(30-14)17-7-10-31(11-8-17)23(35)16(3)34)28-24-26-13-19(25)22(29-24)18-12-27-32-9-5-4-6-20(18)32/h4-6,9,12-13,16-17,34H,7-8,10-11H2,1-3H3,(H,26,28,29)/t16-/s2
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50184458
PNG
(CHEMBL3822587)
Show SMILES Cc1nn(C2CCN(CC2)C(=O)CO)c(C)c1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12
Show InChI InChI=1S/C23H25ClN8O2/c1-14-21(15(2)32(29-14)16-6-9-30(10-7-16)20(34)13-33)27-23-25-12-18(24)22(28-23)17-11-26-31-8-4-3-5-19(17)31/h3-5,8,11-12,16,33H,6-7,9-10,13H2,1-2H3,(H,25,27,28)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHOK1 cells after 6 mins by electrophysiology assay


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50184460
PNG
(CHEMBL3822947)
Show SMILES C[C@H](O)C(=O)N1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C |r|
Show InChI InChI=1/C24H27ClN8O2/c1-14-21(15(2)33(30-14)17-7-10-31(11-8-17)23(35)16(3)34)28-24-26-13-19(25)22(29-24)18-12-27-32-9-5-4-6-20(18)32/h4-6,9,12-13,16-17,34H,7-8,10-11H2,1-3H3,(H,26,28,29)/t16-/s2
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHOK1 cells after 6 mins by electrophysiology assay


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50184451
PNG
(CHEMBL3823914)
Show SMILES CC(=O)N1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C
Show InChI InChI=1S/C23H25ClN8O/c1-14-21(15(2)32(29-14)17-7-10-30(11-8-17)16(3)33)27-23-25-13-19(24)22(28-23)18-12-26-31-9-5-4-6-20(18)31/h4-6,9,12-13,17H,7-8,10-11H2,1-3H3,(H,25,27,28)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHOK1 cells after 6 mins by electrophysiology assay


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50184450
PNG
(CHEMBL3824296)
Show SMILES Cc1nn(C2CCNCC2)c(C)c1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12
Show InChI InChI=1S/C21H23ClN8/c1-13-19(14(2)30(28-13)15-6-8-23-9-7-15)26-21-24-12-17(22)20(27-21)16-11-25-29-10-4-3-5-18(16)29/h3-5,10-12,15,23H,6-9H2,1-2H3,(H,24,26,27)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHOK1 cells after 6 mins by electrophysiology assay


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50184473
PNG
(CHEMBL3823929)
Show SMILES CC(=O)N1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnc3ccccn23)c1C
Show InChI InChI=1S/C23H25ClN8O/c1-14-21(15(2)32(29-14)17-7-10-30(11-8-17)16(3)33)27-23-26-12-18(24)22(28-23)19-13-25-20-6-4-5-9-31(19)20/h4-6,9,12-13,17H,7-8,10-11H2,1-3H3,(H,26,27,28)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHOK1 cells after 6 mins by electrophysiology assay


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50184461
PNG
(CHEMBL3823030)
Show SMILES C[C@@H](O)C(=O)N1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C |r|
Show InChI InChI=1/C24H27ClN8O2/c1-14-21(15(2)33(30-14)17-7-10-31(11-8-17)23(35)16(3)34)28-24-26-13-19(25)22(29-24)18-12-27-32-9-5-4-6-20(18)32/h4-6,9,12-13,16-17,34H,7-8,10-11H2,1-3H3,(H,26,28,29)/t16-/s2
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHOK1 cells after 6 mins by electrophysiology assay


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50184470
PNG
(CHEMBL3823007)
Show SMILES Cc1nn(cc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)C1CCNCC1
Show InChI InChI=1S/C20H21ClN8/c1-13-16(12-29(27-13)14-5-7-22-8-6-14)25-20-24-10-15(21)19(26-20)17-11-23-18-4-2-3-9-28(17)18/h2-4,9-12,14,22H,5-8H2,1H3,(H,24,25,26)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHOK1 cells after 6 mins by electrophysiology assay


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50184465
PNG
(CHEMBL3822976)
Show SMILES CNCC(=O)N1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C
Show InChI InChI=1S/C24H28ClN9O/c1-15-22(16(2)34(31-15)17-7-10-32(11-8-17)21(35)14-26-3)29-24-27-13-19(25)23(30-24)18-12-28-33-9-5-4-6-20(18)33/h4-6,9,12-13,17,26H,7-8,10-11,14H2,1-3H3,(H,27,29,30)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHOK1 cells after 6 mins by electrophysiology assay


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50184467
PNG
(CHEMBL3823297)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C24H24ClN7O2/c1-16(33)30-9-11-31(12-10-30)17-6-7-20(22(13-17)34-2)28-24-26-15-19(25)23(29-24)18-14-27-32-8-4-3-5-21(18)32/h3-8,13-15H,9-12H2,1-2H3,(H,26,28,29)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHOK1 cells after 6 mins by electrophysiology assay


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50184472
PNG
(CHEMBL3822543)
Show SMILES Cc1c(Nc2ncc(Cl)c(n2)-c2cnc3ccccn23)cnn1C1CCNCC1
Show InChI InChI=1S/C20H21ClN8/c1-13-16(11-25-29(13)14-5-7-22-8-6-14)26-20-24-10-15(21)19(27-20)17-12-23-18-4-2-3-9-28(17)18/h2-4,9-12,14,22H,5-8H2,1H3,(H,24,26,27)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHOK1 cells after 6 mins by electrophysiology assay


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50184463
PNG
(CHEMBL3824103)
Show SMILES C[C@H](N)C(=O)N1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C |r|
Show InChI InChI=1/C24H28ClN9O/c1-14(26)23(35)32-10-7-17(8-11-32)34-16(3)21(15(2)31-34)29-24-27-13-19(25)22(30-24)18-12-28-33-9-5-4-6-20(18)33/h4-6,9,12-14,17H,7-8,10-11,26H2,1-3H3,(H,27,29,30)/t14-/s2
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHOK1 cells after 6 mins by electrophysiology assay


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50184476
PNG
(CHEMBL3823301)
Show SMILES CC(=O)N1CCC(CC1)n1ncc(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C
Show InChI InChI=1S/C22H23ClN8O/c1-14-19(13-26-31(14)16-6-9-29(10-7-16)15(2)32)27-22-24-12-18(23)21(28-22)17-11-25-30-8-4-3-5-20(17)30/h3-5,8,11-13,16H,6-7,9-10H2,1-2H3,(H,24,27,28)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHOK1 cells after 6 mins by electrophysiology assay


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50184464
PNG
(CHEMBL3822644)
Show SMILES C[C@@H](N)C(=O)N1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C |r|
Show InChI InChI=1/C24H28ClN9O/c1-14(26)23(35)32-10-7-17(8-11-32)34-16(3)21(15(2)31-34)29-24-27-13-19(25)22(30-24)18-12-28-33-9-5-4-6-20(18)33/h4-6,9,12-14,17H,7-8,10-11,26H2,1-3H3,(H,27,29,30)/t14-/s2
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHOK1 cells after 6 mins by electrophysiology assay


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50184462
PNG
(CHEMBL3823154)
Show SMILES Cc1nn(C2CCN(CC2)C(=O)CN)c(C)c1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12
Show InChI InChI=1S/C23H26ClN9O/c1-14-21(15(2)33(30-14)16-6-9-31(10-7-16)20(34)11-25)28-23-26-13-18(24)22(29-23)17-12-27-32-8-4-3-5-19(17)32/h3-5,8,12-13,16H,6-7,9-11,25H2,1-2H3,(H,26,28,29)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHOK1 cells after 6 mins by electrophysiology assay


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%