Found 11 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)) | BDBM50055889
(CHEMBL3317913)Show SMILES O=C(N1CCN(CC1)C(=O)c1cccs1)c1csc(Cc2n[nH]c(=O)c3ccccc23)c1 Show InChI InChI=1S/C23H20N4O3S2/c28-21-18-5-2-1-4-17(18)19(24-25-21)13-16-12-15(14-32-16)22(29)26-7-9-27(10-8-26)23(30)20-6-3-11-31-20/h1-6,11-12,14H,7-10,13H2,(H,25,28) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Institute of Pharmacology and Toxicology
Curated by ChEMBL
| Assay Description
Inhibition of human PARP1 |
Bioorg Med Chem Lett 24: 3739-43 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.001
BindingDB Entry DOI: 10.7270/Q2125VBB |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50055890
(CHEMBL3317912)Show SMILES O=C(N1CCN(CC1)C(=O)c1ccc2OCOc2c1)c1csc(Cc2n[nH]c(=O)c3ccccc23)c1 Show InChI InChI=1S/C26H22N4O5S/c31-24-20-4-2-1-3-19(20)21(27-28-24)13-18-11-17(14-36-18)26(33)30-9-7-29(8-10-30)25(32)16-5-6-22-23(12-16)35-15-34-22/h1-6,11-12,14H,7-10,13,15H2,(H,28,31) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Institute of Pharmacology and Toxicology
Curated by ChEMBL
| Assay Description
Inhibition of human PARP1 |
Bioorg Med Chem Lett 24: 3739-43 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.001
BindingDB Entry DOI: 10.7270/Q2125VBB |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50055887
(CHEMBL3317917)Show SMILES O=C(N1CCN(CC1)C(=O)c1ccccn1)c1csc(Cc2n[nH]c(=O)c3ccccc23)c1 Show InChI InChI=1S/C24H21N5O3S/c30-22-19-6-2-1-5-18(19)21(26-27-22)14-17-13-16(15-33-17)23(31)28-9-11-29(12-10-28)24(32)20-7-3-4-8-25-20/h1-8,13,15H,9-12,14H2,(H,27,30) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Institute of Pharmacology and Toxicology
Curated by ChEMBL
| Assay Description
Inhibition of human PARP1 |
Bioorg Med Chem Lett 24: 3739-43 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.001
BindingDB Entry DOI: 10.7270/Q2125VBB |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50055891
(CHEMBL3317909)Show SMILES Brc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)c1csc(Cc2n[nH]c(=O)c3ccccc23)c1 Show InChI InChI=1S/C25H21BrN4O3S/c26-18-7-5-16(6-8-18)24(32)29-9-11-30(12-10-29)25(33)17-13-19(34-15-17)14-22-20-3-1-2-4-21(20)23(31)28-27-22/h1-8,13,15H,9-12,14H2,(H,28,31) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 72 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Institute of Pharmacology and Toxicology
Curated by ChEMBL
| Assay Description
Inhibition of human PARP1 |
Bioorg Med Chem Lett 24: 3739-43 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.001
BindingDB Entry DOI: 10.7270/Q2125VBB |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50055884
(CHEMBL3317900)Show SMILES CCC(=O)N1CCN(CC1)C(=O)c1csc(Cc2n[nH]c(=O)c3ccccc23)c1 Show InChI InChI=1S/C21H22N4O3S/c1-2-19(26)24-7-9-25(10-8-24)21(28)14-11-15(29-13-14)12-18-16-5-3-4-6-17(16)20(27)23-22-18/h3-6,11,13H,2,7-10,12H2,1H3,(H,23,27) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Institute of Pharmacology and Toxicology
Curated by ChEMBL
| Assay Description
Inhibition of human PARP1 |
Bioorg Med Chem Lett 24: 3739-43 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.001
BindingDB Entry DOI: 10.7270/Q2125VBB |
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
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 85 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Institute of Pharmacology and Toxicology
Curated by ChEMBL
| Assay Description
Inhibition of human PARP1 |
Bioorg Med Chem Lett 24: 3739-43 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.001
BindingDB Entry DOI: 10.7270/Q2125VBB |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50055886
(CHEMBL3317906)Show SMILES O=C(N1CCN(CC1)C(=O)c1ccc(cc1)C#N)c1csc(Cc2n[nH]c(=O)c3ccccc23)c1 Show InChI InChI=1S/C26H21N5O3S/c27-15-17-5-7-18(8-6-17)25(33)30-9-11-31(12-10-30)26(34)19-13-20(35-16-19)14-23-21-3-1-2-4-22(21)24(32)29-28-23/h1-8,13,16H,9-12,14H2,(H,29,32) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 86 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Institute of Pharmacology and Toxicology
Curated by ChEMBL
| Assay Description
Inhibition of human PARP1 |
Bioorg Med Chem Lett 24: 3739-43 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.001
BindingDB Entry DOI: 10.7270/Q2125VBB |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50055885
(CHEMBL3317902)Show SMILES COc1ccc(CC(=O)N2CCN(CC2)C(=O)c2csc(Cc3n[nH]c(=O)c4ccccc34)c2)cc1 Show InChI InChI=1S/C27H26N4O4S/c1-35-20-8-6-18(7-9-20)14-25(32)30-10-12-31(13-11-30)27(34)19-15-21(36-17-19)16-24-22-4-2-3-5-23(22)26(33)29-28-24/h2-9,15,17H,10-14,16H2,1H3,(H,29,33) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 95 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Institute of Pharmacology and Toxicology
Curated by ChEMBL
| Assay Description
Inhibition of human PARP1 |
Bioorg Med Chem Lett 24: 3739-43 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.001
BindingDB Entry DOI: 10.7270/Q2125VBB |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50055865
(CHEMBL3317897)Show SMILES O=C(C1CC1)N1CCN(CC1)C(=O)c1csc(Cc2n[nH]c(=O)c3ccccc23)c1 Show InChI InChI=1S/C22H22N4O3S/c27-20-18-4-2-1-3-17(18)19(23-24-20)12-16-11-15(13-30-16)22(29)26-9-7-25(8-10-26)21(28)14-5-6-14/h1-4,11,13-14H,5-10,12H2,(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 | 105 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Institute of Pharmacology and Toxicology
Curated by ChEMBL
| Assay Description
Inhibition of human PARP1 |
Bioorg Med Chem Lett 24: 3739-43 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.001
BindingDB Entry DOI: 10.7270/Q2125VBB |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50055888
(CHEMBL3317916)Show SMILES O=C(N1CCN(CC1)C(=O)c1ccncc1)c1csc(Cc2n[nH]c(=O)c3ccccc23)c1 Show InChI InChI=1S/C24H21N5O3S/c30-22-20-4-2-1-3-19(20)21(26-27-22)14-18-13-17(15-33-18)24(32)29-11-9-28(10-12-29)23(31)16-5-7-25-8-6-16/h1-8,13,15H,9-12,14H2,(H,27,30) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 108 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Institute of Pharmacology and Toxicology
Curated by ChEMBL
| Assay Description
Inhibition of human PARP1 |
Bioorg Med Chem Lett 24: 3739-43 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.001
BindingDB Entry DOI: 10.7270/Q2125VBB |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50055883
(CHEMBL3317899)Show SMILES CC(=O)N1CCN(CC1)C(=O)c1csc(Cc2n[nH]c(=O)c3ccccc23)c1 Show InChI InChI=1S/C20H20N4O3S/c1-13(25)23-6-8-24(9-7-23)20(27)14-10-15(28-12-14)11-18-16-4-2-3-5-17(16)19(26)22-21-18/h2-5,10,12H,6-9,11H2,1H3,(H,22,26) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 124 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Institute of Pharmacology and Toxicology
Curated by ChEMBL
| Assay Description
Inhibition of human PARP1 |
Bioorg Med Chem Lett 24: 3739-43 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.001
BindingDB Entry DOI: 10.7270/Q2125VBB |
More data for this
Ligand-Target Pair | |
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