Found 54 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)) | BDBM50309361
(2-(4-(5-((6,7-dichloro-1-oxo-1,2-dihydropyrrolo[1,...)Show SMILES Fc1ccc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)cc1C(=O)N1CCN(CC1)c1ncccc1C#N Show InChI InChI=1S/C25H19Cl2FN6O2/c26-19-12-21-24(35)31-14-17(34(21)22(19)27)10-15-3-4-20(28)18(11-15)25(36)33-8-6-32(7-9-33)23-16(13-29)2-1-5-30-23/h1-5,11-12,14H,6-10H2,(H,31,35) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM/Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 by topcount microplate scintillation counter |
Bioorg Med Chem Lett 20: 1094-9 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.026
BindingDB Entry DOI: 10.7270/Q2FB531P |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50309375
(6,7-dichloro-4-(4-fluoro-3-(4-pivaloylpiperazine-1...)Show SMILES CC(C)(C)C(=O)N1CCN(CC1)C(=O)c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)ccc1F Show InChI InChI=1S/C24H25Cl2FN4O3/c1-24(2,3)23(34)30-8-6-29(7-9-30)22(33)16-11-14(4-5-18(16)27)10-15-13-28-21(32)19-12-17(25)20(26)31(15)19/h4-5,11-13H,6-10H2,1-3H3,(H,28,32) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM/Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 by topcount microplate scintillation counter |
Bioorg Med Chem Lett 20: 1094-9 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.026
BindingDB Entry DOI: 10.7270/Q2FB531P |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50309393
(4-(3-(1,4-diazepane-1-carbonyl)-4-fluorobenzyl)-7-...)Show SMILES Fc1ccc(Cc2c[nH]c(=O)c3cc(Cl)cn23)cc1C(=O)N1CCCNCC1 Show InChI InChI=1S/C20H20ClFN4O2/c21-14-10-18-19(27)24-11-15(26(18)12-14)8-13-2-3-17(22)16(9-13)20(28)25-6-1-4-23-5-7-25/h2-3,9-12,23H,1,4-8H2,(H,24,27) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM/Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 by topcount microplate scintillation counter |
Bioorg Med Chem Lett 20: 1094-9 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.026
BindingDB Entry DOI: 10.7270/Q2FB531P |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50309350
(4-(3-(4-(azetidin-1-yl)piperidine-1-carbonyl)-4-fl...)Show SMILES Fc1ccc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)cc1C(=O)N1CCC(CC1)N1CCC1 Show InChI InChI=1S/C23H23Cl2FN4O2/c24-18-12-20-22(31)27-13-16(30(20)21(18)25)10-14-2-3-19(26)17(11-14)23(32)29-8-4-15(5-9-29)28-6-1-7-28/h2-3,11-13,15H,1,4-10H2,(H,27,31) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM/Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 by topcount microplate scintillation counter |
Bioorg Med Chem Lett 20: 1094-9 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.026
BindingDB Entry DOI: 10.7270/Q2FB531P |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50309357
(6,7-dichloro-4-(4-fluoro-3-(4-(quinazolin-2-yl)pip...)Show SMILES Fc1ccc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)cc1C(=O)N1CCN(CC1)c1ncc2ccccc2n1 Show InChI InChI=1S/C27H21Cl2FN6O2/c28-20-13-23-25(37)31-15-18(36(23)24(20)29)11-16-5-6-21(30)19(12-16)26(38)34-7-9-35(10-8-34)27-32-14-17-3-1-2-4-22(17)33-27/h1-6,12-15H,7-11H2,(H,31,37) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM/Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 by topcount microplate scintillation counter |
Bioorg Med Chem Lett 20: 1094-9 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.026
BindingDB Entry DOI: 10.7270/Q2FB531P |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50309356
(6,7-dichloro-4-(4-fluoro-3-(4-(quinazolin-4-yl)pip...)Show SMILES Fc1ccc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)cc1C(=O)N1CCN(CC1)c1ncnc2ccccc12 Show InChI InChI=1S/C27H21Cl2FN6O2/c28-20-13-23-26(37)31-14-17(36(23)24(20)29)11-16-5-6-21(30)19(12-16)27(38)35-9-7-34(8-10-35)25-18-3-1-2-4-22(18)32-15-33-25/h1-6,12-15H,7-11H2,(H,31,37) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM/Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 by topcount microplate scintillation counter |
Bioorg Med Chem Lett 20: 1094-9 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.026
BindingDB Entry DOI: 10.7270/Q2FB531P |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50309394
(4-(3-(1,4-diazepane-1-carbonyl)-4-fluorobenzyl)-7-...)Show SMILES Cc1cc2n(c1)c(Cc1ccc(F)c(c1)C(=O)N1CCCNCC1)c[nH]c2=O Show InChI InChI=1S/C21H23FN4O2/c1-14-9-19-20(27)24-12-16(26(19)13-14)10-15-3-4-18(22)17(11-15)21(28)25-7-2-5-23-6-8-25/h3-4,9,11-13,23H,2,5-8,10H2,1H3,(H,24,27) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM/Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 by topcount microplate scintillation counter |
Bioorg Med Chem Lett 20: 1094-9 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.026
BindingDB Entry DOI: 10.7270/Q2FB531P |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50309391
(4-(3-(1,4-diazepane-1-carbonyl)-4-fluorobenzyl)-7,...)Show SMILES Fc1ccc(Cc2c[nH]c(=O)c3c(Cl)c(Cl)cn23)cc1C(=O)N1CCCNCC1 Show InChI InChI=1S/C20H19Cl2FN4O2/c21-15-11-27-13(10-25-19(28)18(27)17(15)22)8-12-2-3-16(23)14(9-12)20(29)26-6-1-4-24-5-7-26/h2-3,9-11,24H,1,4-8H2,(H,25,28) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM/Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 by topcount microplate scintillation counter |
Bioorg Med Chem Lett 20: 1094-9 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.026
BindingDB Entry DOI: 10.7270/Q2FB531P |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50309358
(6,7-dichloro-4-(4-fluoro-3-(4-(isoquinolin-3-yl)pi...)Show SMILES Fc1ccc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)cc1C(=O)N1CCN(CC1)c1cc2ccccc2cn1 Show InChI InChI=1S/C28H22Cl2FN5O2/c29-22-14-24-27(37)33-16-20(36(24)26(22)30)11-17-5-6-23(31)21(12-17)28(38)35-9-7-34(8-10-35)25-13-18-3-1-2-4-19(18)15-32-25/h1-6,12-16H,7-11H2,(H,33,37) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM/Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 by topcount microplate scintillation counter |
Bioorg Med Chem Lett 20: 1094-9 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.026
BindingDB Entry DOI: 10.7270/Q2FB531P |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50309395
(4-(3-(1,4-diazepane-1-carbonyl)-4-fluorobenzyl)pyr...)Show SMILES Fc1ccc(Cc2c[nH]c(=O)c3cccn23)cc1C(=O)N1CCCNCC1 Show InChI InChI=1S/C20H21FN4O2/c21-17-5-4-14(11-15-13-23-19(26)18-3-1-9-25(15)18)12-16(17)20(27)24-8-2-6-22-7-10-24/h1,3-5,9,12-13,22H,2,6-8,10-11H2,(H,23,26) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM/Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 by topcount microplate scintillation counter |
Bioorg Med Chem Lett 20: 1094-9 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.026
BindingDB Entry DOI: 10.7270/Q2FB531P |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50309368
(2-(4-(5-((6,7-dichloro-1-oxo-1,2-dihydropyrrolo[1,...)Show SMILES CN(C)C(=O)C(=O)N1CCN(CC1)C(=O)c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)ccc1F Show InChI InChI=1S/C23H22Cl2FN5O4/c1-28(2)22(34)23(35)30-7-5-29(6-8-30)21(33)15-10-13(3-4-17(15)26)9-14-12-27-20(32)18-11-16(24)19(25)31(14)18/h3-4,10-12H,5-9H2,1-2H3,(H,27,32) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM/Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 by topcount microplate scintillation counter |
Bioorg Med Chem Lett 20: 1094-9 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.026
BindingDB Entry DOI: 10.7270/Q2FB531P |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50309222
(6,7-dichloro-4-(4-fluoro-3-(4-(2-methyl-2-(methyla...)Show SMILES CNC(C)(C)C(=O)N1CCN(CC1)C(=O)c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)ccc1F Show InChI InChI=1S/C24H26Cl2FN5O3/c1-24(2,28-3)23(35)31-8-6-30(7-9-31)22(34)16-11-14(4-5-18(16)27)10-15-13-29-21(33)19-12-17(25)20(26)32(15)19/h4-5,11-13,28H,6-10H2,1-3H3,(H,29,33) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM/Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 by topcount microplate scintillation counter |
Bioorg Med Chem Lett 20: 1094-9 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.026
BindingDB Entry DOI: 10.7270/Q2FB531P |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50309376
(6,7-dichloro-4-(4-fluoro-3-(4-isobutyrylpiperazine...)Show SMILES CC(C)C(=O)N1CCN(CC1)C(=O)c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)ccc1F Show InChI InChI=1S/C23H23Cl2FN4O3/c1-13(2)22(32)28-5-7-29(8-6-28)23(33)16-10-14(3-4-18(16)26)9-15-12-27-21(31)19-11-17(24)20(25)30(15)19/h3-4,10-13H,5-9H2,1-2H3,(H,27,31) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM/Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 by topcount microplate scintillation counter |
Bioorg Med Chem Lett 20: 1094-9 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.026
BindingDB Entry DOI: 10.7270/Q2FB531P |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50309387
(6,7-dichloro-4-(4-fluoro-3-(piperazine-1-carbonyl)...)Show SMILES Fc1ccc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)cc1C(=O)N1CCNCC1 Show InChI InChI=1S/C19H17Cl2FN4O2/c20-14-9-16-18(27)24-10-12(26(16)17(14)21)7-11-1-2-15(22)13(8-11)19(28)25-5-3-23-4-6-25/h1-2,8-10,23H,3-7H2,(H,24,27) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM/Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 by topcount microplate scintillation counter |
Bioorg Med Chem Lett 20: 1094-9 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.026
BindingDB Entry DOI: 10.7270/Q2FB531P |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50309354
(6,7-dichloro-4-(4-fluoro-3-(4-(methylamino)piperid...)Show SMILES CNC1CCN(CC1)C(=O)c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)ccc1F Show InChI InChI=1S/C21H21Cl2FN4O2/c1-25-13-4-6-27(7-5-13)21(30)15-9-12(2-3-17(15)24)8-14-11-26-20(29)18-10-16(22)19(23)28(14)18/h2-3,9-11,13,25H,4-8H2,1H3,(H,26,29) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM/Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 by topcount microplate scintillation counter |
Bioorg Med Chem Lett 20: 1094-9 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.026
BindingDB Entry DOI: 10.7270/Q2FB531P |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50309373
(6,7-dichloro-4-(4-fluoro-3-(4-picolinoylpiperazine...)Show SMILES Fc1ccc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)cc1C(=O)N1CCN(CC1)C(=O)c1ccccn1 Show InChI InChI=1S/C25H20Cl2FN5O3/c26-18-13-21-23(34)30-14-16(33(21)22(18)27)11-15-4-5-19(28)17(12-15)24(35)31-7-9-32(10-8-31)25(36)20-3-1-2-6-29-20/h1-6,12-14H,7-11H2,(H,30,34) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM/Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 by topcount microplate scintillation counter |
Bioorg Med Chem Lett 20: 1094-9 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.026
BindingDB Entry DOI: 10.7270/Q2FB531P |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50309369
(4-(5-((6,7-dichloro-1-oxo-1,2-dihydropyrrolo[1,2-a...)Show SMILES CN(C)S(=O)(=O)N1CCN(CC1)C(=O)c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)ccc1F Show InChI InChI=1S/C21H22Cl2FN5O4S/c1-26(2)34(32,33)28-7-5-27(6-8-28)21(31)15-10-13(3-4-17(15)24)9-14-12-25-20(30)18-11-16(22)19(23)29(14)18/h3-4,10-12H,5-9H2,1-2H3,(H,25,30) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM/Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 by topcount microplate scintillation counter |
Bioorg Med Chem Lett 20: 1094-9 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.026
BindingDB Entry DOI: 10.7270/Q2FB531P |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50309367
(6,7-dichloro-4-(3-(4-(2-(dimethylamino)acetyl)pipe...)Show SMILES CN(C)CC(=O)N1CCN(CC1)C(=O)c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)ccc1F Show InChI InChI=1S/C23H24Cl2FN5O3/c1-28(2)13-20(32)29-5-7-30(8-6-29)23(34)16-10-14(3-4-18(16)26)9-15-12-27-22(33)19-11-17(24)21(25)31(15)19/h3-4,10-12H,5-9,13H2,1-2H3,(H,27,33) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM/Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 by topcount microplate scintillation counter |
Bioorg Med Chem Lett 20: 1094-9 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.026
BindingDB Entry DOI: 10.7270/Q2FB531P |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50309221
(6,7-dichloro-4-(4-fluoro-3-(1,8-diazaspiro[4.5]dec...)Show SMILES Fc1ccc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)cc1C(=O)N1CCC2(CCCN2)CC1 Show InChI InChI=1S/C23H23Cl2FN4O2/c24-17-12-19-21(31)27-13-15(30(19)20(17)25)10-14-2-3-18(26)16(11-14)22(32)29-8-5-23(6-9-29)4-1-7-28-23/h2-3,11-13,28H,1,4-10H2,(H,27,31) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM/Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 by topcount microplate scintillation counter |
Bioorg Med Chem Lett 20: 1094-9 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.026
BindingDB Entry DOI: 10.7270/Q2FB531P |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50309353
(6,7-dichloro-4-(3-(4-(dimethylamino)piperidine-1-c...)Show SMILES CN(C)C1CCN(CC1)C(=O)c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)ccc1F Show InChI InChI=1S/C22H23Cl2FN4O2/c1-27(2)14-5-7-28(8-6-14)22(31)16-10-13(3-4-18(16)25)9-15-12-26-21(30)19-11-17(23)20(24)29(15)19/h3-4,10-12,14H,5-9H2,1-2H3,(H,26,30) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM/Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 by topcount microplate scintillation counter |
Bioorg Med Chem Lett 20: 1094-9 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.026
BindingDB Entry DOI: 10.7270/Q2FB531P |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50309392
(4-(3-(1,4-diazepane-1-carbonyl)-4-fluorobenzyl)-6,...)Show SMILES Fc1ccc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)cc1C(=O)N1CCCNCC1 Show InChI InChI=1S/C20H19Cl2FN4O2/c21-15-10-17-19(28)25-11-13(27(17)18(15)22)8-12-2-3-16(23)14(9-12)20(29)26-6-1-4-24-5-7-26/h2-3,9-11,24H,1,4-8H2,(H,25,28) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM/Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 by topcount microplate scintillation counter |
Bioorg Med Chem Lett 20: 1094-9 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.026
BindingDB Entry DOI: 10.7270/Q2FB531P |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50309364
(6,7-dichloro-4-(4-fluoro-3-(4-(pyridin-2-yl)pipera...)Show SMILES Fc1ccc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)cc1C(=O)N1CCN(CC1)c1ccccn1 Show InChI InChI=1S/C24H20Cl2FN5O2/c25-18-13-20-23(33)29-14-16(32(20)22(18)26)11-15-4-5-19(27)17(12-15)24(34)31-9-7-30(8-10-31)21-3-1-2-6-28-21/h1-6,12-14H,7-11H2,(H,29,33) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM/Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 by topcount microplate scintillation counter |
Bioorg Med Chem Lett 20: 1094-9 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.026
BindingDB Entry DOI: 10.7270/Q2FB531P |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50309362
(6,7-dichloro-4-(4-fluoro-3-(4-(pyrimidin-2-yl)pipe...)Show SMILES Fc1ccc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)cc1C(=O)N1CCN(CC1)c1ncccn1 Show InChI InChI=1S/C23H19Cl2FN6O2/c24-17-12-19-21(33)29-13-15(32(19)20(17)25)10-14-2-3-18(26)16(11-14)22(34)30-6-8-31(9-7-30)23-27-4-1-5-28-23/h1-5,11-13H,6-10H2,(H,29,33) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM/Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 by topcount microplate scintillation counter |
Bioorg Med Chem Lett 20: 1094-9 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.026
BindingDB Entry DOI: 10.7270/Q2FB531P |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50309372
(4-(3-(4-(1H-imidazole-2-carbonyl)piperazine-1-carb...)Show SMILES Fc1ccc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)cc1C(=O)N1CCN(CC1)C(=O)c1ncc[nH]1 Show InChI InChI=1S/C23H19Cl2FN6O3/c24-16-11-18-21(33)29-12-14(32(18)19(16)25)9-13-1-2-17(26)15(10-13)22(34)30-5-7-31(8-6-30)23(35)20-27-3-4-28-20/h1-4,10-12H,5-9H2,(H,27,28)(H,29,33) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM/Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 by topcount microplate scintillation counter |
Bioorg Med Chem Lett 20: 1094-9 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.026
BindingDB Entry DOI: 10.7270/Q2FB531P |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50309377
(6,7-dichloro-4-(4-fluoro-3-(4-propionylpiperazine-...)Show SMILES CCC(=O)N1CCN(CC1)C(=O)c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)ccc1F Show InChI InChI=1S/C22H21Cl2FN4O3/c1-2-19(30)27-5-7-28(8-6-27)22(32)15-10-13(3-4-17(15)25)9-14-12-26-21(31)18-11-16(23)20(24)29(14)18/h3-4,10-12H,2,5-9H2,1H3,(H,26,31) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM/Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 by topcount microplate scintillation counter |
Bioorg Med Chem Lett 20: 1094-9 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.026
BindingDB Entry DOI: 10.7270/Q2FB531P |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50309374
(6,7-dichloro-4-(3-(4-(cyclopentanecarbonyl)piperaz...)Show SMILES Fc1ccc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)cc1C(=O)N1CCN(CC1)C(=O)C1CCCC1 Show InChI InChI=1S/C25H25Cl2FN4O3/c26-19-13-21-23(33)29-14-17(32(21)22(19)27)11-15-5-6-20(28)18(12-15)25(35)31-9-7-30(8-10-31)24(34)16-3-1-2-4-16/h5-6,12-14,16H,1-4,7-11H2,(H,29,33) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM/Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 by topcount microplate scintillation counter |
Bioorg Med Chem Lett 20: 1094-9 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.026
BindingDB Entry DOI: 10.7270/Q2FB531P |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50309390
(4-(3-(1,4-diazepane-1-carbonyl)-4-fluorobenzyl)-6,...)Show SMILES Fc1ccc(Cc2c[nH]c(=O)c3c(Cl)cc(Cl)n23)cc1C(=O)N1CCCNCC1 Show InChI InChI=1S/C20H19Cl2FN4O2/c21-15-10-17(22)27-13(11-25-19(28)18(15)27)8-12-2-3-16(23)14(9-12)20(29)26-6-1-4-24-5-7-26/h2-3,9-11,24H,1,4-8H2,(H,25,28) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM/Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 by topcount microplate scintillation counter |
Bioorg Med Chem Lett 20: 1094-9 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.026
BindingDB Entry DOI: 10.7270/Q2FB531P |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50309389
(6,7-dichloro-4-(4-fluoro-3-(4-methyl-1,4-diazepane...)Show SMILES CN1CCCN(CC1)C(=O)c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)ccc1F Show InChI InChI=1S/C21H21Cl2FN4O2/c1-26-5-2-6-27(8-7-26)21(30)15-10-13(3-4-17(15)24)9-14-12-25-20(29)18-11-16(22)19(23)28(14)18/h3-4,10-12H,2,5-9H2,1H3,(H,25,29) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM/Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 by topcount microplate scintillation counter |
Bioorg Med Chem Lett 20: 1094-9 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.026
BindingDB Entry DOI: 10.7270/Q2FB531P |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50309366
(6,7-dichloro-4-(3-(4-(2-(dimethylamino)-2-methylpr...)Show SMILES CN(C)C(C)(C)C(=O)N1CCN(CC1)C(=O)c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)ccc1F Show InChI InChI=1S/C25H28Cl2FN5O3/c1-25(2,30(3)4)24(36)32-9-7-31(8-10-32)23(35)17-12-15(5-6-19(17)28)11-16-14-29-22(34)20-13-18(26)21(27)33(16)20/h5-6,12-14H,7-11H2,1-4H3,(H,29,34) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.10 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM/Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 by topcount microplate scintillation counter |
Bioorg Med Chem Lett 20: 1094-9 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.026
BindingDB Entry DOI: 10.7270/Q2FB531P |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50309351
(6,7-dichloro-4-(4-fluoro-3-(4-(pyrrolidin-1-yl)pip...)Show SMILES Fc1ccc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)cc1C(=O)N1CCC(CC1)N1CCCC1 Show InChI InChI=1S/C24H25Cl2FN4O2/c25-19-13-21-23(32)28-14-17(31(21)22(19)26)11-15-3-4-20(27)18(12-15)24(33)30-9-5-16(6-10-30)29-7-1-2-8-29/h3-4,12-14,16H,1-2,5-11H2,(H,28,32) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.40 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM/Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 by topcount microplate scintillation counter |
Bioorg Med Chem Lett 20: 1094-9 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.026
BindingDB Entry DOI: 10.7270/Q2FB531P |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50309349
(6,7-dichloro-4-(4-fluoro-3-(1,9-diazaspiro[5.5]und...)Show SMILES Fc1ccc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)cc1C(=O)N1CCC2(CCCCN2)CC1 Show InChI InChI=1S/C24H25Cl2FN4O2/c25-18-13-20-22(32)28-14-16(31(20)21(18)26)11-15-3-4-19(27)17(12-15)23(33)30-9-6-24(7-10-30)5-1-2-8-29-24/h3-4,12-14,29H,1-2,5-11H2,(H,28,32) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.20 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM/Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 by topcount microplate scintillation counter |
Bioorg Med Chem Lett 20: 1094-9 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.026
BindingDB Entry DOI: 10.7270/Q2FB531P |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50309385
(4-(3-(4-acetylpiperazine-1-carbonyl)-4-fluorobenzy...)Show SMILES CC(=O)N1CCN(CC1)C(=O)c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)ccc1F Show InChI InChI=1S/C21H19Cl2FN4O3/c1-12(29)26-4-6-27(7-5-26)21(31)15-9-13(2-3-17(15)24)8-14-11-25-20(30)18-10-16(22)19(23)28(14)18/h2-3,9-11H,4-8H2,1H3,(H,25,30) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM/Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 by topcount microplate scintillation counter |
Bioorg Med Chem Lett 20: 1094-9 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.026
BindingDB Entry DOI: 10.7270/Q2FB531P |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50309355
(4-(3-(4-aminopiperidine-1-carbonyl)-4-fluorobenzyl...)Show SMILES NC1CCN(CC1)C(=O)c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)ccc1F Show InChI InChI=1S/C20H19Cl2FN4O2/c21-15-9-17-19(28)25-10-13(27(17)18(15)22)7-11-1-2-16(23)14(8-11)20(29)26-5-3-12(24)4-6-26/h1-2,8-10,12H,3-7,24H2,(H,25,28) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.10 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM/Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 by topcount microplate scintillation counter |
Bioorg Med Chem Lett 20: 1094-9 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.026
BindingDB Entry DOI: 10.7270/Q2FB531P |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50309371
(4-(5-((6,7-dichloro-1-oxo-1,2-dihydropyrrolo[1,2-a...)Show SMILES CN(C)C(=O)N1CCN(CC1)C(=O)c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)ccc1F Show InChI InChI=1S/C22H22Cl2FN5O3/c1-27(2)22(33)29-7-5-28(6-8-29)21(32)15-10-13(3-4-17(15)25)9-14-12-26-20(31)18-11-16(23)19(24)30(14)18/h3-4,10-12H,5-9H2,1-2H3,(H,26,31) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.20 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM/Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 by topcount microplate scintillation counter |
Bioorg Med Chem Lett 20: 1094-9 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.026
BindingDB Entry DOI: 10.7270/Q2FB531P |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50309348
(6,7-dichloro-4-(4-fluoro-3-(1,7-diazaspiro[3.5]non...)Show SMILES Fc1ccc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)cc1C(=O)N1CCC2(CCN2)CC1 Show InChI InChI=1S/C22H21Cl2FN4O2/c23-16-11-18-20(30)26-12-14(29(18)19(16)24)9-13-1-2-17(25)15(10-13)21(31)28-7-4-22(5-8-28)3-6-27-22/h1-2,10-12,27H,3-9H2,(H,26,30) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.20 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM/Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 by topcount microplate scintillation counter |
Bioorg Med Chem Lett 20: 1094-9 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.026
BindingDB Entry DOI: 10.7270/Q2FB531P |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50309370
(6,7-dichloro-4-(3-(4-(ethylsulfonyl)piperazine-1-c...)Show SMILES CCS(=O)(=O)N1CCN(CC1)C(=O)c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)ccc1F Show InChI InChI=1S/C21H21Cl2FN4O4S/c1-2-33(31,32)27-7-5-26(6-8-27)21(30)15-10-13(3-4-17(15)24)9-14-12-25-20(29)18-11-16(22)19(23)28(14)18/h3-4,10-12H,2,5-9H2,1H3,(H,25,29) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM/Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 by topcount microplate scintillation counter |
Bioorg Med Chem Lett 20: 1094-9 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.026
BindingDB Entry DOI: 10.7270/Q2FB531P |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50309347
(6,7-dichloro-4-(4-fluoro-3-(4-oxo-1,3,8-triazaspir...)Show SMILES Fc1ccc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)cc1C(=O)N1CCC2(CC1)NCNC2=O Show InChI InChI=1S/C22H20Cl2FN5O3/c23-15-9-17-19(31)26-10-13(30(17)18(15)24)7-12-1-2-16(25)14(8-12)20(32)29-5-3-22(4-6-29)21(33)27-11-28-22/h1-2,8-10,28H,3-7,11H2,(H,26,31)(H,27,33) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM/Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 by topcount microplate scintillation counter |
Bioorg Med Chem Lett 20: 1094-9 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.026
BindingDB Entry DOI: 10.7270/Q2FB531P |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50309363
(6,7-dichloro-4-(4-fluoro-3-(4-(pyridin-3-yl)pipera...)Show SMILES Fc1ccc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)cc1C(=O)N1CCN(CC1)c1cccnc1 Show InChI InChI=1S/C24H20Cl2FN5O2/c25-19-12-21-23(33)29-14-17(32(21)22(19)26)10-15-3-4-20(27)18(11-15)24(34)31-8-6-30(7-9-31)16-2-1-5-28-13-16/h1-5,11-14H,6-10H2,(H,29,33) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM/Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 by topcount microplate scintillation counter |
Bioorg Med Chem Lett 20: 1094-9 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.026
BindingDB Entry DOI: 10.7270/Q2FB531P |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50309378
(6,7-dichloro-4-(4-fluoro-3-(4-(2-hydroxyethyl)pipe...)Show SMILES OCCN1CCN(CC1)C(=O)c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)ccc1F Show InChI InChI=1S/C21H21Cl2FN4O3/c22-16-11-18-20(30)25-12-14(28(18)19(16)23)9-13-1-2-17(24)15(10-13)21(31)27-5-3-26(4-6-27)7-8-29/h1-2,10-12,29H,3-9H2,(H,25,30) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM/Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 by topcount microplate scintillation counter |
Bioorg Med Chem Lett 20: 1094-9 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.026
BindingDB Entry DOI: 10.7270/Q2FB531P |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50309381
(4-(3-(4-butylpiperazine-1-carbonyl)-4-fluorobenzyl...)Show SMILES CCCCN1CCN(CC1)C(=O)c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)ccc1F Show InChI InChI=1S/C23H25Cl2FN4O2/c1-2-3-6-28-7-9-29(10-8-28)23(32)17-12-15(4-5-19(17)26)11-16-14-27-22(31)20-13-18(24)21(25)30(16)20/h4-5,12-14H,2-3,6-11H2,1H3,(H,27,31) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM/Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 by topcount microplate scintillation counter |
Bioorg Med Chem Lett 20: 1094-9 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.026
BindingDB Entry DOI: 10.7270/Q2FB531P |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50309382
(6,7-dichloro-4-(4-fluoro-3-(4-isobutylpiperazine-1...)Show SMILES CC(C)CN1CCN(CC1)C(=O)c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)ccc1F Show InChI InChI=1S/C23H25Cl2FN4O2/c1-14(2)13-28-5-7-29(8-6-28)23(32)17-10-15(3-4-19(17)26)9-16-12-27-22(31)20-11-18(24)21(25)30(16)20/h3-4,10-12,14H,5-9,13H2,1-2H3,(H,27,31) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM/Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 by topcount microplate scintillation counter |
Bioorg Med Chem Lett 20: 1094-9 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.026
BindingDB Entry DOI: 10.7270/Q2FB531P |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50309380
(6,7-dichloro-4-(3-(4-cyclohexylpiperazine-1-carbon...)Show SMILES Fc1ccc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)cc1C(=O)N1CCN(CC1)C1CCCCC1 Show InChI InChI=1S/C25H27Cl2FN4O2/c26-20-14-22-24(33)29-15-18(32(22)23(20)27)12-16-6-7-21(28)19(13-16)25(34)31-10-8-30(9-11-31)17-4-2-1-3-5-17/h6-7,13-15,17H,1-5,8-12H2,(H,29,33) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM/Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 by topcount microplate scintillation counter |
Bioorg Med Chem Lett 20: 1094-9 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.026
BindingDB Entry DOI: 10.7270/Q2FB531P |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50309360
(6-(4-(5-((6,7-dichloro-1-oxo-1,2-dihydropyrrolo[1,...)Show SMILES Fc1ccc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)cc1C(=O)N1CCN(CC1)c1ccc(cn1)C#N Show InChI InChI=1S/C25H19Cl2FN6O2/c26-19-11-21-24(35)31-14-17(34(21)23(19)27)9-15-1-3-20(28)18(10-15)25(36)33-7-5-32(6-8-33)22-4-2-16(12-29)13-30-22/h1-4,10-11,13-14H,5-9H2,(H,31,35) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM/Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 by topcount microplate scintillation counter |
Bioorg Med Chem Lett 20: 1094-9 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.026
BindingDB Entry DOI: 10.7270/Q2FB531P |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50309359
(6,7-dichloro-4-(4-fluoro-3-(4-(3-methoxypyridin-2-...)Show SMILES COc1cccnc1N1CCN(CC1)C(=O)c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)ccc1F Show InChI InChI=1S/C25H22Cl2FN5O3/c1-36-21-3-2-6-29-23(21)31-7-9-32(10-8-31)25(35)17-12-15(4-5-19(17)28)11-16-14-30-24(34)20-13-18(26)22(27)33(16)20/h2-6,12-14H,7-11H2,1H3,(H,30,34) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM/Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 by topcount microplate scintillation counter |
Bioorg Med Chem Lett 20: 1094-9 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.026
BindingDB Entry DOI: 10.7270/Q2FB531P |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50309379
(6,7-dichloro-4-(3-(4-(2-(dimethylamino)ethyl)piper...)Show SMILES CN(C)CCN1CCN(CC1)C(=O)c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)ccc1F Show InChI InChI=1S/C23H26Cl2FN5O2/c1-28(2)5-6-29-7-9-30(10-8-29)23(33)17-12-15(3-4-19(17)26)11-16-14-27-22(32)20-13-18(24)21(25)31(16)20/h3-4,12-14H,5-11H2,1-2H3,(H,27,32) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM/Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 by topcount microplate scintillation counter |
Bioorg Med Chem Lett 20: 1094-9 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.026
BindingDB Entry DOI: 10.7270/Q2FB531P |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50309388
(4-(3-(4-acetyl-1,4-diazepane-1-carbonyl)-4-fluorob...)Show SMILES CC(=O)N1CCCN(CC1)C(=O)c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)ccc1F Show InChI InChI=1S/C22H21Cl2FN4O3/c1-13(30)27-5-2-6-28(8-7-27)22(32)16-10-14(3-4-18(16)25)9-15-12-26-21(31)19-11-17(23)20(24)29(15)19/h3-4,10-12H,2,5-9H2,1H3,(H,26,31) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM/Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 by topcount microplate scintillation counter |
Bioorg Med Chem Lett 20: 1094-9 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.026
BindingDB Entry DOI: 10.7270/Q2FB531P |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50309352
(6,7-dichloro-4-(3-(4-(diethylamino)piperidine-1-ca...)Show SMILES CCN(CC)C1CCN(CC1)C(=O)c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)ccc1F Show InChI InChI=1S/C24H27Cl2FN4O2/c1-3-29(4-2)16-7-9-30(10-8-16)24(33)18-12-15(5-6-20(18)27)11-17-14-28-23(32)21-13-19(25)22(26)31(17)21/h5-6,12-14,16H,3-4,7-11H2,1-2H3,(H,28,32) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM/Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 by topcount microplate scintillation counter |
Bioorg Med Chem Lett 20: 1094-9 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.026
BindingDB Entry DOI: 10.7270/Q2FB531P |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50309365
(6,7-dichloro-4-(4-fluoro-3-(4-(2-fluorophenyl)pipe...)Show SMILES Fc1ccccc1N1CCN(CC1)C(=O)c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)ccc1F Show InChI InChI=1S/C25H20Cl2F2N4O2/c26-18-13-22-24(34)30-14-16(33(22)23(18)27)11-15-5-6-19(28)17(12-15)25(35)32-9-7-31(8-10-32)21-4-2-1-3-20(21)29/h1-6,12-14H,7-11H2,(H,30,34) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM/Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 by topcount microplate scintillation counter |
Bioorg Med Chem Lett 20: 1094-9 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.026
BindingDB Entry DOI: 10.7270/Q2FB531P |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50309386
(6,7-dichloro-4-(4-fluoro-3-(4-methylpiperazine-1-c...)Show SMILES CN1CCN(CC1)C(=O)c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)ccc1F Show InChI InChI=1S/C20H19Cl2FN4O2/c1-25-4-6-26(7-5-25)20(29)14-9-12(2-3-16(14)23)8-13-11-24-19(28)17-10-15(21)18(22)27(13)17/h2-3,9-11H,4-8H2,1H3,(H,24,28) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM/Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 by topcount microplate scintillation counter |
Bioorg Med Chem Lett 20: 1094-9 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.026
BindingDB Entry DOI: 10.7270/Q2FB531P |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50309383
(6,7-dichloro-4-(4-fluoro-3-(morpholine-4-carbonyl)...)Show SMILES Fc1ccc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)cc1C(=O)N1CCOCC1 Show InChI InChI=1S/C19H16Cl2FN3O3/c20-14-9-16-18(26)23-10-12(25(16)17(14)21)7-11-1-2-15(22)13(8-11)19(27)24-3-5-28-6-4-24/h1-2,8-10H,3-7H2,(H,23,26) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 59 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM/Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 by topcount microplate scintillation counter |
Bioorg Med Chem Lett 20: 1094-9 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.026
BindingDB Entry DOI: 10.7270/Q2FB531P |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50309384
(6,7-dichloro-4-(4-fluoro-3-(piperidine-1-carbonyl)...)Show SMILES Fc1ccc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)cc1C(=O)N1CCCCC1 Show InChI InChI=1S/C20H18Cl2FN3O2/c21-15-10-17-19(27)24-11-13(26(17)18(15)22)8-12-4-5-16(23)14(9-12)20(28)25-6-2-1-3-7-25/h4-5,9-11H,1-3,6-8H2,(H,24,27) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM/Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 by topcount microplate scintillation counter |
Bioorg Med Chem Lett 20: 1094-9 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.026
BindingDB Entry DOI: 10.7270/Q2FB531P |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50309351
(6,7-dichloro-4-(4-fluoro-3-(4-(pyrrolidin-1-yl)pip...)Show SMILES Fc1ccc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)cc1C(=O)N1CCC(CC1)N1CCCC1 Show InChI InChI=1S/C24H25Cl2FN4O2/c25-19-13-21-23(32)28-14-17(31(21)22(19)26)11-15-3-4-20(27)18(12-15)24(33)30-9-5-16(6-10-30)29-7-1-2-8-29/h3-4,12-14,16H,1-2,5-11H2,(H,28,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM/Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 20: 1094-9 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.026
BindingDB Entry DOI: 10.7270/Q2FB531P |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50309222
(6,7-dichloro-4-(4-fluoro-3-(4-(2-methyl-2-(methyla...)Show SMILES CNC(C)(C)C(=O)N1CCN(CC1)C(=O)c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)ccc1F Show InChI InChI=1S/C24H26Cl2FN5O3/c1-24(2,28-3)23(35)31-8-6-30(7-9-31)22(34)16-11-14(4-5-18(16)27)10-15-13-29-21(33)19-12-17(25)20(26)32(15)19/h4-5,11-13,28H,6-10H2,1-3H3,(H,29,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM/Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 20: 1094-9 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.026
BindingDB Entry DOI: 10.7270/Q2FB531P |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50309221
(6,7-dichloro-4-(4-fluoro-3-(1,8-diazaspiro[4.5]dec...)Show SMILES Fc1ccc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)cc1C(=O)N1CCC2(CCCN2)CC1 Show InChI InChI=1S/C23H23Cl2FN4O2/c24-17-12-19-21(31)27-13-15(30(19)20(17)25)10-14-2-3-18(26)16(11-14)22(32)29-8-5-23(6-9-29)4-1-7-28-23/h2-3,11-13,28H,1,4-10H2,(H,27,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM/Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 20: 1094-9 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.026
BindingDB Entry DOI: 10.7270/Q2FB531P |
More data for this
Ligand-Target Pair | |
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