Found 11 hits Enz. Inhib. hit(s) with all data for assayid = 26 entry = 50031615 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM35585
(pyrazolo pyrimidine, 18)Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(CC3)C(=O)OC)c2n1 Show InChI InChI=1S/C24H30N8O4/c1-25-23(33)27-17-5-3-16(4-6-17)20-28-21(30-11-13-36-14-12-30)19-15-26-32(22(19)29-20)18-7-9-31(10-8-18)24(34)35-2/h3-6,15,18H,7-14H2,1-2H3,(H2,25,27,33) | PDB
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| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of ATR by DELFIA assay |
J Med Chem 52: 8010-24 (2009)
Article DOI: 10.1021/jm9013828
BindingDB Entry DOI: 10.7270/Q28W3DGF |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50316255
(CHEMBL1095932 | Isopropyl 4-(6-(4-(3-Methylureido)...)Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(CC3)C(=O)OC(C)C)c2n1 Show InChI InChI=1S/C26H34N8O4/c1-17(2)38-26(36)33-10-8-20(9-11-33)34-24-21(16-28-34)23(32-12-14-37-15-13-32)30-22(31-24)18-4-6-19(7-5-18)29-25(35)27-3/h4-7,16-17,20H,8-15H2,1-3H3,(H2,27,29,35) | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of ATR by DELFIA assay |
J Med Chem 52: 8010-24 (2009)
Article DOI: 10.1021/jm9013828
BindingDB Entry DOI: 10.7270/Q28W3DGF |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50316253
(CHEMBL1095627 | tert-Butyl 4-(6-(4-aminophenyl)-4-...)Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(N)cc1)N1CCOCC1 Show InChI InChI=1S/C25H33N7O3/c1-25(2,3)35-24(33)31-10-8-19(9-11-31)32-23-20(16-27-32)22(30-12-14-34-15-13-30)28-21(29-23)17-4-6-18(26)7-5-17/h4-7,16,19H,8-15,26H2,1-3H3 | PDB
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 1.14E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of ATR by DELFIA assay |
J Med Chem 52: 8010-24 (2009)
Article DOI: 10.1021/jm9013828
BindingDB Entry DOI: 10.7270/Q28W3DGF |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50316264
(CHEMBL1095933 | tert-Butyl 4-(6-(4-(3-Methylureido...)Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(CC3)C(=O)OC(C)(C)C)c2n1 Show InChI InChI=1S/C27H36N8O4/c1-27(2,3)39-26(37)34-11-9-20(10-12-34)35-24-21(17-29-35)23(33-13-15-38-16-14-33)31-22(32-24)18-5-7-19(8-6-18)30-25(36)28-4/h5-8,17,20H,9-16H2,1-4H3,(H2,28,30,36) | PDB
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PC cid
PC sid
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PubMed
| n/a | n/a | 1.17E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of ATR by DELFIA assay |
J Med Chem 52: 8010-24 (2009)
Article DOI: 10.1021/jm9013828
BindingDB Entry DOI: 10.7270/Q28W3DGF |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM35591
(pyrazolo pyrimidine, 23)Show SMILES COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)NC2CC2)cc1)N1CCOCC1 Show InChI InChI=1S/C26H32N8O4/c1-37-26(36)33-10-8-20(9-11-33)34-24-21(16-27-34)23(32-12-14-38-15-13-32)30-22(31-24)17-2-4-18(5-3-17)28-25(35)29-19-6-7-19/h2-5,16,19-20H,6-15H2,1H3,(H2,28,29,35) | PDB
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| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.62E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of ATR by DELFIA assay |
J Med Chem 52: 8010-24 (2009)
Article DOI: 10.1021/jm9013828
BindingDB Entry DOI: 10.7270/Q28W3DGF |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM35590
(pyrazolo pyrimidine, 22)Show SMILES COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)NCCF)cc1)N1CCOCC1 Show InChI InChI=1S/C25H31FN8O4/c1-37-25(36)33-10-6-19(7-11-33)34-23-20(16-28-34)22(32-12-14-38-15-13-32)30-21(31-23)17-2-4-18(5-3-17)29-24(35)27-9-8-26/h2-5,16,19H,6-15H2,1H3,(H2,27,29,35) | PDB
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| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.15E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of ATR by DELFIA assay |
J Med Chem 52: 8010-24 (2009)
Article DOI: 10.1021/jm9013828
BindingDB Entry DOI: 10.7270/Q28W3DGF |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50316262
(CHEMBL1098243 | tert-butyl 4-(6-{4-[(cyclopropylca...)Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)NC2CC2)cc1)N1CCOCC1 Show InChI InChI=1S/C29H38N8O4/c1-29(2,3)41-28(39)36-12-10-22(11-13-36)37-26-23(18-30-37)25(35-14-16-40-17-15-35)33-24(34-26)19-4-6-20(7-5-19)31-27(38)32-21-8-9-21/h4-7,18,21-22H,8-17H2,1-3H3,(H2,31,32,38) | PDB
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PC sid
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| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of ATR by DELFIA assay |
J Med Chem 52: 8010-24 (2009)
Article DOI: 10.1021/jm9013828
BindingDB Entry DOI: 10.7270/Q28W3DGF |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50316256
(CHEMBL1094981 | isopropyl 4-[6-(4-{[(2-fluoroethyl...)Show SMILES CC(C)OC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)NCCF)cc1)N1CCOCC1 Show InChI InChI=1S/C27H35FN8O4/c1-18(2)40-27(38)35-11-7-21(8-12-35)36-25-22(17-30-36)24(34-13-15-39-16-14-34)32-23(33-25)19-3-5-20(6-4-19)31-26(37)29-10-9-28/h3-6,17-18,21H,7-16H2,1-2H3,(H2,29,31,37) | PDB
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PC sid
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| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of ATR by DELFIA assay |
J Med Chem 52: 8010-24 (2009)
Article DOI: 10.1021/jm9013828
BindingDB Entry DOI: 10.7270/Q28W3DGF |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50316260
(CHEMBL1098242 | tert-butyl 4-[6-(4-{[(2-fluoroethy...)Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)NCCF)cc1)N1CCOCC1 Show InChI InChI=1S/C28H37FN8O4/c1-28(2,3)41-27(39)36-12-8-21(9-13-36)37-25-22(18-31-37)24(35-14-16-40-17-15-35)33-23(34-25)19-4-6-20(7-5-19)32-26(38)30-11-10-29/h4-7,18,21H,8-17H2,1-3H3,(H2,30,32,38) | PDB
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| CHEMBL
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PC sid
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| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of ATR by DELFIA assay |
J Med Chem 52: 8010-24 (2009)
Article DOI: 10.1021/jm9013828
BindingDB Entry DOI: 10.7270/Q28W3DGF |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50316259
(CHEMBL1097942 | isopropyl 4-(6-{4-[(cyclopropylcar...)Show SMILES CC(C)OC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)NC2CC2)cc1)N1CCOCC1 Show InChI InChI=1S/C28H36N8O4/c1-18(2)40-28(38)35-11-9-22(10-12-35)36-26-23(17-29-36)25(34-13-15-39-16-14-34)32-24(33-26)19-3-5-20(6-4-19)30-27(37)31-21-7-8-21/h3-6,17-18,21-22H,7-16H2,1-2H3,(H2,30,31,37) | PDB
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PC sid
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PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of ATR by DELFIA assay |
J Med Chem 52: 8010-24 (2009)
Article DOI: 10.1021/jm9013828
BindingDB Entry DOI: 10.7270/Q28W3DGF |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50316252
(CHEMBL1095626 | methyl 4-(6-(4-aminophenyl)-4-morp...)Show SMILES COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(N)cc1)N1CCOCC1 Show InChI InChI=1S/C22H27N7O3/c1-31-22(30)28-8-6-17(7-9-28)29-21-18(14-24-29)20(27-10-12-32-13-11-27)25-19(26-21)15-2-4-16(23)5-3-15/h2-5,14,17H,6-13,23H2,1H3 | PDB
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| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of ATR by DELFIA assay |
J Med Chem 52: 8010-24 (2009)
Article DOI: 10.1021/jm9013828
BindingDB Entry DOI: 10.7270/Q28W3DGF |
More data for this
Ligand-Target Pair | |
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