Found 23 hits of ki for UniProtKB: Q9UGN5 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Poly [ADP-ribose] polymerase 2
(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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| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of N-terminal GST-tagged human PARP2 (2 to 583 residues) expressed in baculovirus infected Sf9 cells using histone mixture (H2A and H2B) a... |
Citation and Details
Article DOI: 10.1016/j.bmc.2020.115819 BindingDB Entry DOI: 10.7270/Q21N84R1 |
More data for this Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 2
(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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| PDB Article PubMed
| 0.850 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
BioMarin Pharmaceutical Inc.
Curated by ChEMBL
| Assay Description Inhibition of human PARP2 using [3H]NAD as substrate after 1 min by microplate scintillation counting analysis |
J Med Chem 59: 335-57 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01498 BindingDB Entry DOI: 10.7270/Q2K35WJR |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Poly [ADP-ribose] polymerase 2
(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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| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nirma University
Curated by ChEMBL
| Assay Description Inhibition of PARP2 (unknown origin) after 1 min in presence of NAD by top count analysis |
Eur J Med Chem 165: 198-215 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.024 BindingDB Entry DOI: 10.7270/Q2Z03CPZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Poly [ADP-ribose] polymerase 2
(Homo sapiens (Human)) | BDBM50300014
(2-(4-(Pyridin-4-yl)phenyl)-1H-benzimidazole-4-carb...)Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1)-c1ccncc1 Show InChI InChI=1S/C19H14N4O/c20-18(24)15-2-1-3-16-17(15)23-19(22-16)14-6-4-12(5-7-14)13-8-10-21-11-9-13/h1-11H,(H2,20,24)(H,22,23) | PDB
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| Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition of PARP2 by top count scintillation counting |
J Med Chem 53: 3142-53 (2010)
Article DOI: 10.1021/jm901775y BindingDB Entry DOI: 10.7270/Q2N879XR |
More data for this Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 2
(Homo sapiens (Human)) | BDBM50315783
(2-(4-Piperidin-4-ylphenyl)-1H-benzimidazole-4-carb...)Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1)C1CCNCC1 Show InChI InChI=1S/C19H20N4O/c20-18(24)15-2-1-3-16-17(15)23-19(22-16)14-6-4-12(5-7-14)13-8-10-21-11-9-13/h1-7,13,21H,8-11H2,(H2,20,24)(H,22,23) | PDB
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| Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition of PARP2 by top count scintillation counting |
J Med Chem 53: 3142-53 (2010)
Article DOI: 10.1021/jm901775y BindingDB Entry DOI: 10.7270/Q2N879XR |
More data for this Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 2
(Homo sapiens (Human)) | BDBM50315779
((S)-2-(2-Fluoro-4-(pyrrolidin-2-yl)phenyl)-1H-benz...)Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1F)[C@@H]1CCCN1 |r| Show InChI InChI=1S/C18H17FN4O/c19-13-9-10(14-5-2-8-21-14)6-7-11(13)18-22-15-4-1-3-12(17(20)24)16(15)23-18/h1,3-4,6-7,9,14,21H,2,5,8H2,(H2,20,24)(H,22,23)/t14-/m0/s1 | PDB
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| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition of PARP2 by top count scintillation counting |
J Med Chem 53: 3142-53 (2010)
Article DOI: 10.1021/jm901775y BindingDB Entry DOI: 10.7270/Q2N879XR |
More data for this Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 2
(Homo sapiens (Human)) | BDBM50315780
(2-(4-Pyrrolidin-2-ylphenyl)-1H-benzimidazole-4-car...)Show InChI InChI=1S/C18H18N4O/c19-17(23)13-3-1-4-15-16(13)22-18(21-15)12-8-6-11(7-9-12)14-5-2-10-20-14/h1,3-4,6-9,14,20H,2,5,10H2,(H2,19,23)(H,21,22) | PDB
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| Article PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition of PARP2 by top count scintillation counting |
J Med Chem 53: 3142-53 (2010)
Article DOI: 10.1021/jm901775y BindingDB Entry DOI: 10.7270/Q2N879XR |
More data for this Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 2
(Homo sapiens (Human)) | BDBM50300016
(2-(4-(Pyridin-2-yl)phenyl)-1H-benzo[d]imidazole-4-...)Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1)-c1ccccn1 Show InChI InChI=1S/C19H14N4O/c20-18(24)14-4-3-6-16-17(14)23-19(22-16)13-9-7-12(8-10-13)15-5-1-2-11-21-15/h1-11H,(H2,20,24)(H,22,23) | PDB
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| Article PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition of PARP2 by top count scintillation counting |
J Med Chem 53: 3142-53 (2010)
Article DOI: 10.1021/jm901775y BindingDB Entry DOI: 10.7270/Q2N879XR |
More data for this Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 2
(Homo sapiens (Human)) | BDBM209932
(2-[(2R)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-...)Show InChI InChI=1S/C13H16N4O/c1-13(6-3-7-15-13)12-16-9-5-2-4-8(11(14)18)10(9)17-12/h2,4-5,15H,3,6-7H2,1H3,(H2,14,18)(H,16,17)/t13-/m1/s1 | PDB
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| | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Antagonist potency against histamine H3 receptor in an electrically stimulated guinea pig ileum |
Citation and Details
|
More data for this Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 2
(Homo sapiens (Human)) | BDBM50315778
(2-(4-Piperidin-3-ylphenyl)-1H-benzimidazole-4-carb...)Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1)C1CCCNC1 Show InChI InChI=1S/C19H20N4O/c20-18(24)15-4-1-5-16-17(15)23-19(22-16)13-8-6-12(7-9-13)14-3-2-10-21-11-14/h1,4-9,14,21H,2-3,10-11H2,(H2,20,24)(H,22,23) | PDB
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| Article PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition of PARP2 by top count scintillation counting |
J Med Chem 53: 3142-53 (2010)
Article DOI: 10.1021/jm901775y BindingDB Entry DOI: 10.7270/Q2N879XR |
More data for this Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 2
(Homo sapiens (Human)) | BDBM50315802
(2-(4-Piperidin-2-ylphenyl)-1H-benzimidazole-4-carb...)Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1)C1CCCCN1 Show InChI InChI=1S/C19H20N4O/c20-18(24)14-4-3-6-16-17(14)23-19(22-16)13-9-7-12(8-10-13)15-5-1-2-11-21-15/h3-4,6-10,15,21H,1-2,5,11H2,(H2,20,24)(H,22,23) | PDB
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| Article PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition of PARP2 by top count scintillation counting |
J Med Chem 53: 3142-53 (2010)
Article DOI: 10.1021/jm901775y BindingDB Entry DOI: 10.7270/Q2N879XR |
More data for this Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 2
(Homo sapiens (Human)) | BDBM50315779
((S)-2-(2-Fluoro-4-(pyrrolidin-2-yl)phenyl)-1H-benz...)Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1F)[C@@H]1CCCN1 |r| Show InChI InChI=1S/C18H17FN4O/c19-13-9-10(14-5-2-8-21-14)6-7-11(13)18-22-15-4-1-3-12(17(20)24)16(15)23-18/h1,3-4,6-7,9,14,21H,2,5,8H2,(H2,20,24)(H,22,23)/t14-/m0/s1 | PDB
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| Article PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition of PARP2 by top count scintillation counting |
J Med Chem 53: 3142-53 (2010)
Article DOI: 10.1021/jm901775y BindingDB Entry DOI: 10.7270/Q2N879XR |
More data for this Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 2
(Homo sapiens (Human)) | BDBM50315798
((S)-2-(2-Fluoro-4-piperidin-2-yl-phenyl)-1H-benzim...)Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1F)[C@@H]1CCCCN1 |r| Show InChI InChI=1S/C19H19FN4O/c20-14-10-11(15-5-1-2-9-22-15)7-8-12(14)19-23-16-6-3-4-13(18(21)25)17(16)24-19/h3-4,6-8,10,15,22H,1-2,5,9H2,(H2,21,25)(H,23,24)/t15-/m0/s1 | PDB
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| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition of PARP2 by top count scintillation counting |
J Med Chem 53: 3142-53 (2010)
Article DOI: 10.1021/jm901775y BindingDB Entry DOI: 10.7270/Q2N879XR |
More data for this Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 2
(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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| Article PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nirma University
Curated by ChEMBL
| Assay Description Inhibition of PARP2 (unknown origin) |
Eur J Med Chem 165: 198-215 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.024 BindingDB Entry DOI: 10.7270/Q2Z03CPZ |
More data for this Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 2
(Homo sapiens (Human)) | BDBM50300015
(2-(4-(Pyridin-3-yl)phenyl)-1H-benzo[d]imidazole-4-...)Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1)-c1cccnc1 Show InChI InChI=1S/C19H14N4O/c20-18(24)15-4-1-5-16-17(15)23-19(22-16)13-8-6-12(7-9-13)14-3-2-10-21-11-14/h1-11H,(H2,20,24)(H,22,23) | PDB
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| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition of PARP2 by top count scintillation counting |
J Med Chem 53: 3142-53 (2010)
Article DOI: 10.1021/jm901775y BindingDB Entry DOI: 10.7270/Q2N879XR |
More data for this Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 2
(Homo sapiens (Human)) | BDBM50315785
(2-(4-(1-Methyl-piperidin-3-yl)phenyl)-1H-benzimida...)Show SMILES CN1CCCC(C1)c1ccc(cc1)-c1nc2c(cccc2[nH]1)C(N)=O Show InChI InChI=1S/C20H22N4O/c1-24-11-3-4-15(12-24)13-7-9-14(10-8-13)20-22-17-6-2-5-16(19(21)25)18(17)23-20/h2,5-10,15H,3-4,11-12H2,1H3,(H2,21,25)(H,22,23) | PDB
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| Article PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition of PARP2 by top count scintillation counting |
J Med Chem 53: 3142-53 (2010)
Article DOI: 10.1021/jm901775y BindingDB Entry DOI: 10.7270/Q2N879XR |
More data for this Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 2
(Homo sapiens (Human)) | BDBM50315782
(2-(4-(1-Methylpyrrolidin-3-yl)phenyl)-1H-benzimida...)Show SMILES CN1CCC(C1)c1ccc(cc1)-c1nc2c(cccc2[nH]1)C(N)=O Show InChI InChI=1S/C19H20N4O/c1-23-10-9-14(11-23)12-5-7-13(8-6-12)19-21-16-4-2-3-15(18(20)24)17(16)22-19/h2-8,14H,9-11H2,1H3,(H2,20,24)(H,21,22) | PDB
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| Article PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition of PARP2 by top count scintillation counting |
J Med Chem 53: 3142-53 (2010)
Article DOI: 10.1021/jm901775y BindingDB Entry DOI: 10.7270/Q2N879XR |
More data for this Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 2
(Homo sapiens (Human)) | BDBM50315786
(2-(4-(1-Methyl-piperidin-4-yl)phenyl)-1H-benzimida...)Show SMILES CN1CCC(CC1)c1ccc(cc1)-c1nc2c(cccc2[nH]1)C(N)=O Show InChI InChI=1S/C20H22N4O/c1-24-11-9-14(10-12-24)13-5-7-15(8-6-13)20-22-17-4-2-3-16(19(21)25)18(17)23-20/h2-8,14H,9-12H2,1H3,(H2,21,25)(H,22,23) | PDB
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Similars
| Article PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition of PARP2 by top count scintillation counting |
J Med Chem 53: 3142-53 (2010)
Article DOI: 10.1021/jm901775y BindingDB Entry DOI: 10.7270/Q2N879XR |
More data for this Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 2
(Homo sapiens (Human)) | BDBM50315784
(2-(4-(1-Methylpiperidin-2-yl)phenyl)-1H-benzimidaz...)Show SMILES CN1CCCCC1c1ccc(cc1)-c1nc2c(cccc2[nH]1)C(N)=O Show InChI InChI=1S/C20H22N4O/c1-24-12-3-2-7-17(24)13-8-10-14(11-9-13)20-22-16-6-4-5-15(19(21)25)18(16)23-20/h4-6,8-11,17H,2-3,7,12H2,1H3,(H2,21,25)(H,22,23) | PDB
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| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition of PARP2 by top count scintillation counting |
J Med Chem 53: 3142-53 (2010)
Article DOI: 10.1021/jm901775y BindingDB Entry DOI: 10.7270/Q2N879XR |
More data for this Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 2
(Homo sapiens (Human)) | BDBM50315781
(2-(4-(1-Methylpyrrolidin-2-yl)phenyl)-1H-benzimida...)Show SMILES CN1CCCC1c1ccc(cc1)-c1nc2c(cccc2[nH]1)C(N)=O Show InChI InChI=1S/C19H20N4O/c1-23-11-3-6-16(23)12-7-9-13(10-8-12)19-21-15-5-2-4-14(18(20)24)17(15)22-19/h2,4-5,7-10,16H,3,6,11H2,1H3,(H2,20,24)(H,21,22) | PDB
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| CHEMBL PC cid PC sid UniChem
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| Article PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition of PARP2 by top count scintillation counting |
J Med Chem 53: 3142-53 (2010)
Article DOI: 10.1021/jm901775y BindingDB Entry DOI: 10.7270/Q2N879XR |
More data for this Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 2
(Homo sapiens (Human)) | BDBM209932
(2-[(2R)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-...)Show InChI InChI=1S/C13H16N4O/c1-13(6-3-7-15-13)12-16-9-5-2-4-8(11(14)18)10(9)17-12/h2,4-5,15H,3,6-7H2,1H3,(H2,14,18)(H,16,17)/t13-/m1/s1 | PDB
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| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114109 BindingDB Entry DOI: 10.7270/Q2XK8KKJ |
More data for this Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 2
(Homo sapiens (Human)) | BDBM50315788
(2-(4-(1-Isopropyl-piperidin-3-yl)phenyl)-1H-benzim...)Show SMILES CC(C)N1CCCC(C1)c1ccc(cc1)-c1nc2c(cccc2[nH]1)C(N)=O Show InChI InChI=1S/C22H26N4O/c1-14(2)26-12-4-5-17(13-26)15-8-10-16(11-9-15)22-24-19-7-3-6-18(21(23)27)20(19)25-22/h3,6-11,14,17H,4-5,12-13H2,1-2H3,(H2,23,27)(H,24,25) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition of PARP2 by top count scintillation counting |
J Med Chem 53: 3142-53 (2010)
Article DOI: 10.1021/jm901775y BindingDB Entry DOI: 10.7270/Q2N879XR |
More data for this Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 2
(Homo sapiens (Human)) | BDBM50315787
(2-(4-(1-Isopropyl-piperidin-2-yl)phenyl)-1H-benzim...)Show SMILES CC(C)N1CCCCC1c1ccc(cc1)-c1nc2c(cccc2[nH]1)C(N)=O Show InChI InChI=1S/C22H26N4O/c1-14(2)26-13-4-3-8-19(26)15-9-11-16(12-10-15)22-24-18-7-5-6-17(21(23)27)20(18)25-22/h5-7,9-12,14,19H,3-4,8,13H2,1-2H3,(H2,23,27)(H,24,25) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition of PARP2 by top count scintillation counting |
J Med Chem 53: 3142-53 (2010)
Article DOI: 10.1021/jm901775y BindingDB Entry DOI: 10.7270/Q2N879XR |
More data for this Ligand-Target Pair | |