Found 17 hits of Enzyme Inhibition Constant Data 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 |
|---|
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50084621
(BMN 673 | Talazoparib)Show SMILES Cn1ncnc1[C@@H]1[C@H](Nc2cc(F)cc3c2c1n[nH]c3=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C19H14F2N6O/c1-27-18(22-8-23-27)15-16(9-2-4-10(20)5-3-9)24-13-7-11(21)6-12-14(13)17(15)25-26-19(12)28/h2-8,15-16,24H,1H3,(H,26,28)/t15-,16-/m1/s1 | PDB
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| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Ricerche di Biologia Molecolare
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 (unknown origin) |
J Med Chem 58: 3302-14 (2015)
Article DOI: 10.1021/jm5018237
BindingDB Entry DOI: 10.7270/Q27S7QGB |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50316229
(2-(1,2,3,4-tetrahydroisoquinolin-6-yl)-2H-indazole...)Show InChI InChI=1S/C17H16N4O/c18-17(22)15-3-1-2-13-10-21(20-16(13)15)14-5-4-12-9-19-7-6-11(12)8-14/h1-5,8,10,19H,6-7,9H2,(H2,18,22) | PDB
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| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Ricerche di Biologia Molecolare
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 (unknown origin) |
J Med Chem 58: 3302-14 (2015)
Article DOI: 10.1021/jm5018237
BindingDB Entry DOI: 10.7270/Q27S7QGB |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50316226
((S)-2-(4-(piperidin-3-yl)phenyl)-2H-indazole-7-car...)Show SMILES NC(=O)c1cccc2cn(nc12)-c1ccc(cc1)[C@@H]1CCCNC1 |r| Show InChI InChI=1S/C19H20N4O/c20-19(24)17-5-1-3-15-12-23(22-18(15)17)16-8-6-13(7-9-16)14-4-2-10-21-11-14/h1,3,5-9,12,14,21H,2,4,10-11H2,(H2,20,24)/t14-/m1/s1 | PDB
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Istituto di Ricerche di Biologia Molecolare
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 (unknown origin) |
J Med Chem 58: 3302-14 (2015)
Article DOI: 10.1021/jm5018237
BindingDB Entry DOI: 10.7270/Q27S7QGB |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50316225
((R)-2-(4-(piperidin-3-yl)phenyl)-2H-indazole-7-car...)Show SMILES NC(=O)c1cccc2cn(nc12)-c1ccc(cc1)[C@H]1CCCNC1 |r| Show InChI InChI=1S/C19H20N4O/c20-19(24)17-5-1-3-15-12-23(22-18(15)17)16-8-6-13(7-9-16)14-4-2-10-21-11-14/h1,3,5-9,12,14,21H,2,4,10-11H2,(H2,20,24)/t14-/m0/s1 | PDB
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Istituto di Ricerche di Biologia Molecolare
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 (unknown origin) |
J Med Chem 58: 3302-14 (2015)
Article DOI: 10.1021/jm5018237
BindingDB Entry DOI: 10.7270/Q27S7QGB |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50316228
(2-(4-(pyrrolidin-2-yl)phenyl)-2H-indazole-7-carbox...)Show InChI InChI=1S/C18H18N4O/c19-18(23)15-4-1-3-13-11-22(21-17(13)15)14-8-6-12(7-9-14)16-5-2-10-20-16/h1,3-4,6-9,11,16,20H,2,5,10H2,(H2,19,23) | PDB
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| n/a | n/a | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Ricerche di Biologia Molecolare
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 (unknown origin) |
J Med Chem 58: 3302-14 (2015)
Article DOI: 10.1021/jm5018237
BindingDB Entry DOI: 10.7270/Q27S7QGB |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50084625
(CHEMBL1098298)Show InChI InChI=1S/C19H20N4O/c20-19(24)17-5-1-3-15-12-23(22-18(15)17)16-8-6-13(7-9-16)14-4-2-10-21-11-14/h1,3,5-9,12,14,21H,2,4,10-11H2,(H2,20,24) | PDB
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| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Ricerche di Biologia Molecolare
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 (unknown origin) |
J Med Chem 58: 3302-14 (2015)
Article DOI: 10.1021/jm5018237
BindingDB Entry DOI: 10.7270/Q27S7QGB |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50316244
(2-(4-((dimethylamino)methyl)phenyl)-2H-indazole-7-...)Show InChI InChI=1S/C17H18N4O/c1-20(2)10-12-6-8-14(9-7-12)21-11-13-4-3-5-15(17(18)22)16(13)19-21/h3-9,11H,10H2,1-2H3,(H2,18,22) | PDB
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| CHEMBL
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| n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Ricerche di Biologia Molecolare
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 (unknown origin) |
J Med Chem 58: 3302-14 (2015)
Article DOI: 10.1021/jm5018237
BindingDB Entry DOI: 10.7270/Q27S7QGB |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50084624
(CHEMBL3427055)Show SMILES OC(=O)c1cccc2cn(nc12)-c1ccc(cc1)[C@@H]1CCCNC1 |r| Show InChI InChI=1S/C19H19N3O2/c23-19(24)17-5-1-3-15-12-22(21-18(15)17)16-8-6-13(7-9-16)14-4-2-10-20-11-14/h1,3,5-9,12,14,20H,2,4,10-11H2,(H,23,24)/t14-/m1/s1 | PDB
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Istituto di Ricerche di Biologia Molecolare
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 (unknown origin) |
J Med Chem 58: 3302-14 (2015)
Article DOI: 10.1021/jm5018237
BindingDB Entry DOI: 10.7270/Q27S7QGB |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50306210
(2-(4-((methylamino)methyl)phenyl)-2H-indazole-7-ca...)Show InChI InChI=1S/C16H16N4O/c1-18-9-11-5-7-13(8-6-11)20-10-12-3-2-4-14(16(17)21)15(12)19-20/h2-8,10,18H,9H2,1H3,(H2,17,21) | PDB
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| n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Ricerche di Biologia Molecolare
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 (unknown origin) |
J Med Chem 58: 3302-14 (2015)
Article DOI: 10.1021/jm5018237
BindingDB Entry DOI: 10.7270/Q27S7QGB |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM27566
(4-({3-[(4-cyclopropanecarbonylpiperazin-1-yl)carbo...)Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCN(CC1)C(=O)C1CC1 Show InChI InChI=1S/C24H23FN4O3/c25-20-8-5-15(14-21-17-3-1-2-4-18(17)22(30)27-26-21)13-19(20)24(32)29-11-9-28(10-12-29)23(31)16-6-7-16/h1-5,8,13,16H,6-7,9-12,14H2,(H,27,30) | PDB
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Istituto di Ricerche di Biologia Molecolare
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 (unknown origin) |
J Med Chem 58: 3302-14 (2015)
Article DOI: 10.1021/jm5018237
BindingDB Entry DOI: 10.7270/Q27S7QGB |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50316227
(2-(4-(piperidin-4-yl)phenyl)-2H-indazole-7-carboxa...)Show InChI InChI=1S/C19H20N4O/c20-19(24)17-3-1-2-15-12-23(22-18(15)17)16-6-4-13(5-7-16)14-8-10-21-11-9-14/h1-7,12,14,21H,8-11H2,(H2,20,24) | PDB
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Istituto di Ricerche di Biologia Molecolare
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 (unknown origin) |
J Med Chem 58: 3302-14 (2015)
Article DOI: 10.1021/jm5018237
BindingDB Entry DOI: 10.7270/Q27S7QGB |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50316233
(2-(4-(2-(methylamino)propan-2-yl)phenyl)-2H-indazo...)Show InChI InChI=1S/C18H20N4O/c1-18(2,20-3)13-7-9-14(10-8-13)22-11-12-5-4-6-15(17(19)23)16(12)21-22/h4-11,20H,1-3H3,(H2,19,23) | PDB
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Istituto di Ricerche di Biologia Molecolare
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 (unknown origin) |
J Med Chem 58: 3302-14 (2015)
Article DOI: 10.1021/jm5018237
BindingDB Entry DOI: 10.7270/Q27S7QGB |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50306166
(2-phenyl-2H-indazole-7-carboxamide | CHEMBL594298)Show InChI InChI=1S/C14H11N3O/c15-14(18)12-8-4-5-10-9-17(16-13(10)12)11-6-2-1-3-7-11/h1-9H,(H2,15,18) | PDB
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| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Ricerche di Biologia Molecolare
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 (unknown origin) |
J Med Chem 58: 3302-14 (2015)
Article DOI: 10.1021/jm5018237
BindingDB Entry DOI: 10.7270/Q27S7QGB |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50316246
(2-phenylpyrazolo-[1,5-a]pyridine-7-carboxamide | C...)Show InChI InChI=1S/C14H17N3O/c15-14(18)13-8-4-7-11-9-12(16-17(11)13)10-5-2-1-3-6-10/h4,7-10H,1-3,5-6H2,(H2,15,18) | PDB
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| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Ricerche di Biologia Molecolare
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 (unknown origin) |
J Med Chem 58: 3302-14 (2015)
Article DOI: 10.1021/jm5018237
BindingDB Entry DOI: 10.7270/Q27S7QGB |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50316247
(2-phenyl-2H-benzo[d][1,2,3]triazole-4-carboxamide ...)Show InChI InChI=1S/C13H10N4O/c14-13(18)10-7-4-8-11-12(10)16-17(15-11)9-5-2-1-3-6-9/h1-8H,(H2,14,18) | PDB
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| n/a | n/a | 71 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Ricerche di Biologia Molecolare
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 (unknown origin) |
J Med Chem 58: 3302-14 (2015)
Article DOI: 10.1021/jm5018237
BindingDB Entry DOI: 10.7270/Q27S7QGB |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50316245
(2-phenyl[1,2,4]triazolo[1,5-a]pyridine-8-carboxami...)Show InChI InChI=1S/C13H10N4O/c14-11(18)10-7-4-8-17-13(10)15-12(16-17)9-5-2-1-3-6-9/h1-8H,(H2,14,18) | PDB
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Istituto di Ricerche di Biologia Molecolare
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 (unknown origin) |
J Med Chem 58: 3302-14 (2015)
Article DOI: 10.1021/jm5018237
BindingDB Entry DOI: 10.7270/Q27S7QGB |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50446130
(AG-014699 | AG-14447 | RUCAPARIB CAMSYLATE | Rucap...)Show SMILES CNCc1ccc(cc1)-c1[nH]c2cc(F)cc3C(=O)NCCc1c23 Show InChI InChI=1S/C19H18FN3O/c1-21-10-11-2-4-12(5-3-11)18-14-6-7-22-19(24)15-8-13(20)9-16(23-18)17(14)15/h2-5,8-9,21,23H,6-7,10H2,1H3,(H,22,24) | PDB
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Istituto di Ricerche di Biologia Molecolare
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 (unknown origin) |
J Med Chem 58: 3302-14 (2015)
Article DOI: 10.1021/jm5018237
BindingDB Entry DOI: 10.7270/Q27S7QGB |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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