Found 30 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)) | BDBM50322367
(5-(4-(pyrrolidin-1-ylmethyl)phenyl)-2,3,4,6-tetrah...)Show SMILES O=C1NCCc2c([nH]c3cccc1c23)-c1ccc(CN2CCCC2)cc1 Show InChI InChI=1S/C22H23N3O/c26-22-18-4-3-5-19-20(18)17(10-11-23-22)21(24-19)16-8-6-15(7-9-16)14-25-12-1-2-13-25/h3-9,24H,1-2,10-14H2,(H,23,26) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johns Hopkins University Brain Science Institute
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 |
J Med Chem 53: 4561-84 (2010)
Article DOI: 10.1021/jm100012m
BindingDB Entry DOI: 10.7270/Q2NV9JF0 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50154730
(6-(4-((dimethylamino)methyl)phenyl)-3,4-dihydro-[1...)Show InChI InChI=1S/C20H21N3O/c1-22(2)13-14-6-8-15(9-7-14)18-12-16-4-3-5-17-19(16)23(18)11-10-21-20(17)24/h3-9,12H,10-11,13H2,1-2H3,(H,21,24) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
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| Article
PubMed
| 6.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johns Hopkins University Brain Science Institute
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 |
J Med Chem 53: 4561-84 (2010)
Article DOI: 10.1021/jm100012m
BindingDB Entry DOI: 10.7270/Q2NV9JF0 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM27525
(N-[3-(morpholin-4-yl)propyl]-8-oxo-9-azatetracyclo...)Show SMILES O=c1[nH]c-2c(Cc3cc(ccc-23)S(=O)(=O)NCCCN2CCOCC2)c2ccccc12 Show InChI InChI=1S/C23H25N3O4S/c27-23-20-5-2-1-4-19(20)21-15-16-14-17(6-7-18(16)22(21)25-23)31(28,29)24-8-3-9-26-10-12-30-13-11-26/h1-2,4-7,14,24H,3,8-13,15H2,(H,25,27) | PDB
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Johns Hopkins University Brain Science Institute
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 |
J Med Chem 53: 4561-84 (2010)
Article DOI: 10.1021/jm100012m
BindingDB Entry DOI: 10.7270/Q2NV9JF0 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50322367
(5-(4-(pyrrolidin-1-ylmethyl)phenyl)-2,3,4,6-tetrah...)Show SMILES O=C1NCCc2c([nH]c3cccc1c23)-c1ccc(CN2CCCC2)cc1 Show InChI InChI=1S/C22H23N3O/c26-22-18-4-3-5-19-20(18)17(10-11-23-22)21(24-19)16-8-6-15(7-9-16)14-25-12-1-2-13-25/h3-9,24H,1-2,10-14H2,(H,23,26) | PDB
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PC sid
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PubMed
| n/a | n/a | 5.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Johns Hopkins University Brain Science Institute
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 |
J Med Chem 53: 4561-84 (2010)
Article DOI: 10.1021/jm100012m
BindingDB Entry DOI: 10.7270/Q2NV9JF0 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 2
(Homo sapiens (Human)) | BDBM27721
(3-(4-cyanophenyl)quinoxaline-5-carboxamide | CHEMB...)Show InChI InChI=1S/C16H10N4O/c17-8-10-4-6-11(7-5-10)14-9-19-13-3-1-2-12(16(18)21)15(13)20-14/h1-7,9H,(H2,18,21) | PDB
KEGG
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PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Johns Hopkins University Brain Science Institute
Curated by ChEMBL
| Assay Description
Inhibition of PARP2 |
J Med Chem 53: 4561-84 (2010)
Article DOI: 10.1021/jm100012m
BindingDB Entry DOI: 10.7270/Q2NV9JF0 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50220858
((S)-8-chloro-2-(3-(4-phenylpiperidin-1-yl)cyclopen...)Show SMILES Clc1cccc2c1nc([nH]c2=O)C1=C[C@H](CC1)N1CCC(CC1)c1ccccc1 |t:14| Show InChI InChI=1S/C24H24ClN3O/c25-21-8-4-7-20-22(21)26-23(27-24(20)29)18-9-10-19(15-18)28-13-11-17(12-14-28)16-5-2-1-3-6-16/h1-8,15,17,19H,9-14H2,(H,26,27,29)/t19-/m0/s1 | PDB
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| n/a | n/a | 8.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Johns Hopkins University Brain Science Institute
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 |
J Med Chem 53: 4561-84 (2010)
Article DOI: 10.1021/jm100012m
BindingDB Entry DOI: 10.7270/Q2NV9JF0 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50068775
(2H-Isoquinolin-1-one | CHEMBL339695 | isoquinolin-...)Show InChI InChI=1S/C9H7NO/c11-9-8-4-2-1-3-7(8)5-6-10-9/h1-6H,(H,10,11) | PDB
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| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Johns Hopkins University Brain Science Institute
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 |
J Med Chem 53: 4561-84 (2010)
Article DOI: 10.1021/jm100012m
BindingDB Entry DOI: 10.7270/Q2NV9JF0 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50416360
(CHEMBL1171298)Show SMILES CCc1cc2cc(ccc2[nH]c1=O)C(CCN1CCCCC1)Cc1ccc2OCCOc2c1 Show InChI InChI=1S/C28H34N2O3/c1-2-21-18-24-19-22(7-8-25(24)29-28(21)31)23(10-13-30-11-4-3-5-12-30)16-20-6-9-26-27(17-20)33-15-14-32-26/h6-9,17-19,23H,2-5,10-16H2,1H3,(H,29,31) | PDB
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| CHEMBL
PC cid
PC sid
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| Article
PubMed
| n/a | n/a | 9.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Johns Hopkins University Brain Science Institute
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 |
J Med Chem 53: 4561-84 (2010)
Article DOI: 10.1021/jm100012m
BindingDB Entry DOI: 10.7270/Q2NV9JF0 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50416361
(CHEMBL1171304)Show SMILES O=c1[nH]c(NCCN2CCN(CC2)c2n[nH]c3ccccc23)nc2ccccc12 Show InChI InChI=1S/C21H23N7O/c29-20-16-6-2-3-7-17(16)23-21(24-20)22-9-10-27-11-13-28(14-12-27)19-15-5-1-4-8-18(15)25-26-19/h1-8H,9-14H2,(H,25,26)(H2,22,23,24,29) | PDB
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| Article
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| n/a | n/a | 9.93 | n/a | n/a | n/a | n/a | n/a | n/a |
Johns Hopkins University Brain Science Institute
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 |
J Med Chem 53: 4561-84 (2010)
Article DOI: 10.1021/jm100012m
BindingDB Entry DOI: 10.7270/Q2NV9JF0 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM27708
(8-chloro-2-{3-[4-(4-fluorophenyl)-1,2,3,6-tetrahyd...)Show SMILES Fc1ccc(cc1)C1=CCN(CCCc2nc3c(Cl)cccc3c(=O)[nH]2)CC1 |t:8| Show InChI InChI=1S/C22H21ClFN3O/c23-19-4-1-3-18-21(19)25-20(26-22(18)28)5-2-12-27-13-10-16(11-14-27)15-6-8-17(24)9-7-15/h1,3-4,6-10H,2,5,11-14H2,(H,25,26,28) | PDB
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| CHEMBL
PC cid
PC sid
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| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Johns Hopkins University Brain Science Institute
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 |
J Med Chem 53: 4561-84 (2010)
Article DOI: 10.1021/jm100012m
BindingDB Entry DOI: 10.7270/Q2NV9JF0 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50101129
(8-Fluoro-6-oxo-5,6-dihydro-phenanthridine-3-carbox...)Show SMILES Fc1ccc2c3ccc(cc3[nH]c(=O)c2c1)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C20H20FN3O3/c21-14-2-4-15-16-3-1-13(11-18(16)23-20(26)17(15)12-14)19(25)22-5-6-24-7-9-27-10-8-24/h1-4,11-12H,5-10H2,(H,22,25)(H,23,26) | PDB
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| CHEMBL
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| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Johns Hopkins University Brain Science Institute
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 |
J Med Chem 53: 4561-84 (2010)
Article DOI: 10.1021/jm100012m
BindingDB Entry DOI: 10.7270/Q2NV9JF0 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM27497
(2-(dimethylamino)-N-(6-oxo-5,6-dihydrophenanthridi...)Show InChI InChI=1S/C17H17N3O2/c1-20(2)10-16(21)18-11-7-8-15-14(9-11)12-5-3-4-6-13(12)17(22)19-15/h3-9H,10H2,1-2H3,(H,18,21)(H,19,22) | PDB
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| PDB
Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Johns Hopkins University Brain Science Institute
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 |
J Med Chem 53: 4561-84 (2010)
Article DOI: 10.1021/jm100012m
BindingDB Entry DOI: 10.7270/Q2NV9JF0 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50120267
(3-(2,4-Dioxo-3,4,7,8-tetrahydro-2H,5H-thiopyrano[4...)Show SMILES O=C(CCn1c2CCSCc2c(=O)[nH]c1=O)NCC(=O)N1CCN(CC1)c1ncccn1 Show InChI InChI=1S/C20H25N7O4S/c28-16(2-6-27-15-3-11-32-13-14(15)18(30)24-20(27)31)23-12-17(29)25-7-9-26(10-8-25)19-21-4-1-5-22-19/h1,4-5H,2-3,6-13H2,(H,23,28)(H,24,30,31) | PDB
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| CHEMBL
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PC sid
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| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Johns Hopkins University Brain Science Institute
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 |
J Med Chem 53: 4561-84 (2010)
Article DOI: 10.1021/jm100012m
BindingDB Entry DOI: 10.7270/Q2NV9JF0 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50322366
(1-(4-ethylcyclohexyl)-3-methyl-5-methylene-4,5-dih...)Show InChI InChI=1S/C18H22N4O/c1-3-22-10-8-12(9-11-22)16-15-13-6-4-5-7-14(13)18(23)19-17(15)21(2)20-16/h4-7,12H,3,8-11H2,1-2H3,(H,19,23) | PDB
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PC sid
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| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Johns Hopkins University Brain Science Institute
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 |
J Med Chem 53: 4561-84 (2010)
Article DOI: 10.1021/jm100012m
BindingDB Entry DOI: 10.7270/Q2NV9JF0 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50131011
(8-Fluoro-2-(3-piperidin-1-yl-propionyl)-1,3,4,5-te...)Show SMILES Fc1ccc2c3CN(CCc3[nH]c(=O)c2c1)C(=O)CCN1CCCCC1 Show InChI InChI=1S/C20H24FN3O2/c21-14-4-5-15-16(12-14)20(26)22-18-6-11-24(13-17(15)18)19(25)7-10-23-8-2-1-3-9-23/h4-5,12H,1-3,6-11,13H2,(H,22,26) | PDB
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PC cid
PC sid
PDB
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| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Johns Hopkins University Brain Science Institute
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 |
J Med Chem 53: 4561-84 (2010)
Article DOI: 10.1021/jm100012m
BindingDB Entry DOI: 10.7270/Q2NV9JF0 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50322365
((R)-3-(2-(2-(hydroxymethyl)pyrrolidin-1-yl)ethyl)-...)Show InChI InChI=1S/C17H22N2O2/c1-12-4-2-6-15-16(12)10-13(18-17(15)21)7-9-19-8-3-5-14(19)11-20/h2,4,6,10,14,20H,3,5,7-9,11H2,1H3,(H,18,21)/t14-/m1/s1 | PDB
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| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Johns Hopkins University Brain Science Institute
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 |
J Med Chem 53: 4561-84 (2010)
Article DOI: 10.1021/jm100012m
BindingDB Entry DOI: 10.7270/Q2NV9JF0 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50137381
(2-{4-[(R)-Hydroxy-3-(S)-5-(6-amino-purin-9-yl)-4-h...)Show SMILES Nc1ncnc2n(cnc12)C1OC([C@@H](O)[C@H]1O)C(=O)N1CCN(CC(=O)Nc2cccc3C(=O)NCc23)CC1 Show InChI InChI=1S/C24H27N9O6/c25-20-16-21(28-10-27-20)33(11-29-16)24-18(36)17(35)19(39-24)23(38)32-6-4-31(5-7-32)9-15(34)30-14-3-1-2-12-13(14)8-26-22(12)37/h1-3,10-11,17-19,24,35-36H,4-9H2,(H,26,37)(H,30,34)(H2,25,27,28)/t17-,18+,19?,24?/m0/s1 | PDB
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| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Johns Hopkins University Brain Science Institute
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 |
J Med Chem 53: 4561-84 (2010)
Article DOI: 10.1021/jm100012m
BindingDB Entry DOI: 10.7270/Q2NV9JF0 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM27710
(5-Chloro-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-y...)Show SMILES Clc1cccc2nc(CCCN3CCC(=CC3)c3ccccc3)[nH]c(=O)c12 |c:14| Show InChI InChI=1S/C22H22ClN3O/c23-18-8-4-9-19-21(18)22(27)25-20(24-19)10-5-13-26-14-11-17(12-15-26)16-6-2-1-3-7-16/h1-4,6-9,11H,5,10,12-15H2,(H,24,25,27) | PDB
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| n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
Johns Hopkins University Brain Science Institute
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 |
J Med Chem 53: 4561-84 (2010)
Article DOI: 10.1021/jm100012m
BindingDB Entry DOI: 10.7270/Q2NV9JF0 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50322364
(4-(4-((dimethylamino)methyl)phenyl)-5-hydroxyisoqu...)Show InChI InChI=1S/C18H18N2O2/c1-20(2)11-12-6-8-13(9-7-12)15-10-19-18(22)14-4-3-5-16(21)17(14)15/h3-10,21H,11H2,1-2H3,(H,19,22) | PDB
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| n/a | n/a | 68 | n/a | n/a | n/a | n/a | n/a | n/a |
Johns Hopkins University Brain Science Institute
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 |
J Med Chem 53: 4561-84 (2010)
Article DOI: 10.1021/jm100012m
BindingDB Entry DOI: 10.7270/Q2NV9JF0 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM27721
(3-(4-cyanophenyl)quinoxaline-5-carboxamide | CHEMB...)Show InChI InChI=1S/C16H10N4O/c17-8-10-4-6-11(7-5-10)14-9-19-13-3-1-2-12(16(18)21)15(13)20-14/h1-7,9H,(H2,18,21) | PDB
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| CHEMBL
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PubMed
| n/a | n/a | 101 | n/a | n/a | n/a | n/a | n/a | n/a |
Johns Hopkins University Brain Science Institute
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 |
J Med Chem 53: 4561-84 (2010)
Article DOI: 10.1021/jm100012m
BindingDB Entry DOI: 10.7270/Q2NV9JF0 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM27088
(1H-1,3-benzodiazole-4-carboxamide | 1H-benzimidazo...)Show InChI InChI=1S/C8H7N3O/c9-8(12)5-2-1-3-6-7(5)11-4-10-6/h1-4H,(H2,9,12)(H,10,11) | PDB
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| n/a | n/a | 240 | n/a | n/a | n/a | n/a | n/a | n/a |
Johns Hopkins University Brain Science Institute
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 |
J Med Chem 53: 4561-84 (2010)
Article DOI: 10.1021/jm100012m
BindingDB Entry DOI: 10.7270/Q2NV9JF0 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50322360
(5-bromoisoquinolin-1(2H)-one | CHEMBL1173518)Show InChI InChI=1S/C9H6BrNO/c10-8-3-1-2-7-6(8)4-5-11-9(7)12/h1-5H,(H,11,12) | PDB
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Johns Hopkins University Brain Science Institute
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 |
J Med Chem 53: 4561-84 (2010)
Article DOI: 10.1021/jm100012m
BindingDB Entry DOI: 10.7270/Q2NV9JF0 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM27500
(5,6-dihydrophenanthridin-6-one | 5H-Phenanthridin-...)Show InChI InChI=1S/C13H9NO/c15-13-11-7-2-1-5-9(11)10-6-3-4-8-12(10)14-13/h1-8H,(H,14,15) | PDB
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| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Johns Hopkins University Brain Science Institute
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 |
J Med Chem 53: 4561-84 (2010)
Article DOI: 10.1021/jm100012m
BindingDB Entry DOI: 10.7270/Q2NV9JF0 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 2
(Homo sapiens (Human)) | BDBM27708
(8-chloro-2-{3-[4-(4-fluorophenyl)-1,2,3,6-tetrahyd...)Show SMILES Fc1ccc(cc1)C1=CCN(CCCc2nc3c(Cl)cccc3c(=O)[nH]2)CC1 |t:8| Show InChI InChI=1S/C22H21ClFN3O/c23-19-4-1-3-18-21(19)25-20(26-22(18)28)5-2-12-27-13-10-16(11-14-27)15-6-8-17(24)9-7-15/h1,3-4,6-10H,2,5,11-14H2,(H,25,26,28) | PDB
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| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Johns Hopkins University Brain Science Institute
Curated by ChEMBL
| Assay Description
Inhibition of PARP2 |
J Med Chem 53: 4561-84 (2010)
Article DOI: 10.1021/jm100012m
BindingDB Entry DOI: 10.7270/Q2NV9JF0 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50322363
(4-phenylisoquinolin-1(2H)-one | CHEMBL1173657)Show InChI InChI=1S/C15H11NO/c17-15-13-9-5-4-8-12(13)14(10-16-15)11-6-2-1-3-7-11/h1-10H,(H,16,17) | PDB
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| n/a | n/a | 890 | n/a | n/a | n/a | n/a | n/a | n/a |
Johns Hopkins University Brain Science Institute
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 |
J Med Chem 53: 4561-84 (2010)
Article DOI: 10.1021/jm100012m
BindingDB Entry DOI: 10.7270/Q2NV9JF0 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50322359
(3-(oxiran-2-yl)benzamide | CHEMBL1171468)Show InChI InChI=1S/C9H9NO2/c10-9(11)7-3-1-2-6(4-7)8-5-12-8/h1-4,8H,5H2,(H2,10,11) | PDB
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| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Johns Hopkins University Brain Science Institute
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 |
J Med Chem 53: 4561-84 (2010)
Article DOI: 10.1021/jm100012m
BindingDB Entry DOI: 10.7270/Q2NV9JF0 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM27712
(5-chloro-2-methyl-3,4-dihydroquinazolin-4-one | CH...)Show InChI InChI=1S/C9H7ClN2O/c1-5-11-7-4-2-3-6(10)8(7)9(13)12-5/h2-4H,1H3,(H,11,12,13) | PDB
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| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Johns Hopkins University Brain Science Institute
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 |
J Med Chem 53: 4561-84 (2010)
Article DOI: 10.1021/jm100012m
BindingDB Entry DOI: 10.7270/Q2NV9JF0 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM27504
(4-HQN | 4-hydroxyquinazoline | CHEMBL266540 | quin...)Show InChI InChI=1S/C8H6N2O/c11-8-6-3-1-2-4-7(6)9-5-10-8/h1-5H,(H,9,10,11) | PDB
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| n/a | n/a | 1.58E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Johns Hopkins University Brain Science Institute
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 |
J Med Chem 53: 4561-84 (2010)
Article DOI: 10.1021/jm100012m
BindingDB Entry DOI: 10.7270/Q2NV9JF0 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM27506
(3-AB | 3-aminobenzamide | CHEMBL81977)Show InChI InChI=1S/C7H8N2O/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,8H2,(H2,9,10) | PDB
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| n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Johns Hopkins University Brain Science Institute
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 |
J Med Chem 53: 4561-84 (2010)
Article DOI: 10.1021/jm100012m
BindingDB Entry DOI: 10.7270/Q2NV9JF0 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM27507
(3-Pyridinecarboxamide | CHEMBL1140 | NAM | niacina...)Show InChI InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9) | PDB
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| n/a | n/a | 2.10E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Johns Hopkins University Brain Science Institute
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 |
J Med Chem 53: 4561-84 (2010)
Article DOI: 10.1021/jm100012m
BindingDB Entry DOI: 10.7270/Q2NV9JF0 |
More data for this
Ligand-Target Pair | |
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