Found 18 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)) | BDBM50314497
(9-(1-ethylpyrrolidin-3-yloxy)-4,6-dihydro-1H-thiop...)Show InChI InChI=1S/C18H22N2O2S/c1-2-20-7-5-13(10-20)22-12-3-4-17-15(9-12)14-6-8-23-11-16(14)18(21)19-17/h3-4,9,13H,2,5-8,10-11H2,1H3,(H,19,21) | 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 |
Jeil Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 |
Bioorg Med Chem Lett 20: 2250-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.014
BindingDB Entry DOI: 10.7270/Q25M65VX |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50314494
(9-(1-ethylpiperidin-3-yloxy)-4,6-dihydro-1H-thiopy...)Show InChI InChI=1S/C19H24N2O2S/c1-2-21-8-3-4-14(11-21)23-13-5-6-18-16(10-13)15-7-9-24-12-17(15)19(22)20-18/h5-6,10,14H,2-4,7-9,11-12H2,1H3,(H,20,22) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Jeil Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 |
Bioorg Med Chem Lett 20: 2250-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.014
BindingDB Entry DOI: 10.7270/Q25M65VX |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50314492
(9-(piperidin-3-yloxy)-4,6-dihydro-1H-thiopyrano[3,...)Show InChI InChI=1S/C17H20N2O2S/c20-17-15-10-22-7-5-13(15)14-8-11(3-4-16(14)19-17)21-12-2-1-6-18-9-12/h3-4,8,12,18H,1-2,5-7,9-10H2,(H,19,20) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Jeil Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 |
Bioorg Med Chem Lett 20: 2250-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.014
BindingDB Entry DOI: 10.7270/Q25M65VX |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50314485
(9-(1-(2-hydroxyethyl)piperidin-4-yloxy)-4,6-dihydr...)Show InChI InChI=1S/C19H24N2O3S/c22-9-8-21-6-3-13(4-7-21)24-14-1-2-18-16(11-14)15-5-10-25-12-17(15)19(23)20-18/h1-2,11,13,22H,3-10,12H2,(H,20,23) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Jeil Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 |
Bioorg Med Chem Lett 20: 2250-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.014
BindingDB Entry DOI: 10.7270/Q25M65VX |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50314490
(9-(1-phenethylpiperidin-4-yloxy)-4,6-dihydro-1H-th...)Show SMILES O=c1[nH]c2ccc(OC3CCN(CCc4ccccc4)CC3)cc2c2CCSCc12 Show InChI InChI=1S/C25H28N2O2S/c28-25-23-17-30-15-11-21(23)22-16-20(6-7-24(22)26-25)29-19-9-13-27(14-10-19)12-8-18-4-2-1-3-5-18/h1-7,16,19H,8-15,17H2,(H,26,28) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Jeil Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 |
Bioorg Med Chem Lett 20: 2250-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.014
BindingDB Entry DOI: 10.7270/Q25M65VX |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50314493
(9-(1-methylpiperidin-3-yloxy)-4,6-dihydro-1H-thiop...)Show InChI InChI=1S/C18H22N2O2S/c1-20-7-2-3-13(10-20)22-12-4-5-17-15(9-12)14-6-8-23-11-16(14)18(21)19-17/h4-5,9,13H,2-3,6-8,10-11H2,1H3,(H,19,21) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
Jeil Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 |
Bioorg Med Chem Lett 20: 2250-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.014
BindingDB Entry DOI: 10.7270/Q25M65VX |
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
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
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 |
Jeil Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 |
Bioorg Med Chem Lett 20: 2250-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.014
BindingDB Entry DOI: 10.7270/Q25M65VX |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50314486
(9-(1-(2-methoxyethyl)piperidin-4-yloxy)-4,6-dihydr...)Show InChI InChI=1S/C20H26N2O3S/c1-24-10-9-22-7-4-14(5-8-22)25-15-2-3-19-17(12-15)16-6-11-26-13-18(16)20(23)21-19/h2-3,12,14H,4-11,13H2,1H3,(H,21,23) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Jeil Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 |
Bioorg Med Chem Lett 20: 2250-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.014
BindingDB Entry DOI: 10.7270/Q25M65VX |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50314482
(9-(1-propylpiperidin-4-yloxy)-4,6-dihydro-1H-thiop...)Show InChI InChI=1S/C20H26N2O2S/c1-2-8-22-9-5-14(6-10-22)24-15-3-4-19-17(12-15)16-7-11-25-13-18(16)20(23)21-19/h3-4,12,14H,2,5-11,13H2,1H3,(H,21,23) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
Jeil Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 |
Bioorg Med Chem Lett 20: 2250-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.014
BindingDB Entry DOI: 10.7270/Q25M65VX |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50314483
(9-(1-pentylpiperidin-4-yloxy)-4,6-dihydro-1H-thiop...)Show SMILES CCCCCN1CCC(CC1)Oc1ccc2[nH]c(=O)c3CSCCc3c2c1 Show InChI InChI=1S/C22H30N2O2S/c1-2-3-4-10-24-11-7-16(8-12-24)26-17-5-6-21-19(14-17)18-9-13-27-15-20(18)22(25)23-21/h5-6,14,16H,2-4,7-13,15H2,1H3,(H,23,25) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Jeil Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 |
Bioorg Med Chem Lett 20: 2250-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.014
BindingDB Entry DOI: 10.7270/Q25M65VX |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50314489
(9-(1-benzylpiperidin-4-yloxy)-4,6-dihydro-1H-thiop...)Show SMILES O=c1[nH]c2ccc(OC3CCN(Cc4ccccc4)CC3)cc2c2CCSCc12 Show InChI InChI=1S/C24H26N2O2S/c27-24-22-16-29-13-10-20(22)21-14-19(6-7-23(21)25-24)28-18-8-11-26(12-9-18)15-17-4-2-1-3-5-17/h1-7,14,18H,8-13,15-16H2,(H,25,27) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
Jeil Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 |
Bioorg Med Chem Lett 20: 2250-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.014
BindingDB Entry DOI: 10.7270/Q25M65VX |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50314495
(9-(1-propylpiperidin-3-yloxy)-4,6-dihydro-1H-thiop...)Show InChI InChI=1S/C20H26N2O2S/c1-2-8-22-9-3-4-15(12-22)24-14-5-6-19-17(11-14)16-7-10-25-13-18(16)20(23)21-19/h5-6,11,15H,2-4,7-10,12-13H2,1H3,(H,21,23) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 56 | n/a | n/a | n/a | n/a | n/a | n/a |
Jeil Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 |
Bioorg Med Chem Lett 20: 2250-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.014
BindingDB Entry DOI: 10.7270/Q25M65VX |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50314484
(9-(1-isopentylpiperidin-4-yloxy)-4,6-dihydro-1H-th...)Show SMILES CC(C)CCN1CCC(CC1)Oc1ccc2[nH]c(=O)c3CSCCc3c2c1 Show InChI InChI=1S/C22H30N2O2S/c1-15(2)5-9-24-10-6-16(7-11-24)26-17-3-4-21-19(13-17)18-8-12-27-14-20(18)22(25)23-21/h3-4,13,15-16H,5-12,14H2,1-2H3,(H,23,25) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 71 | n/a | n/a | n/a | n/a | n/a | n/a |
Jeil Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 |
Bioorg Med Chem Lett 20: 2250-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.014
BindingDB Entry DOI: 10.7270/Q25M65VX |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50314496
(9-(1-methylpyrrolidin-3-yloxy)-4,6-dihydro-1H-thio...)Show InChI InChI=1S/C17H20N2O2S/c1-19-6-4-12(9-19)21-11-2-3-16-14(8-11)13-5-7-22-10-15(13)17(20)18-16/h2-3,8,12H,4-7,9-10H2,1H3,(H,18,20) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Jeil Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 |
Bioorg Med Chem Lett 20: 2250-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.014
BindingDB Entry DOI: 10.7270/Q25M65VX |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50314481
(9-hydroxy-4,6-dihydro-1H-thiopyrano[3,4-c]quinolin...)Show InChI InChI=1S/C12H11NO2S/c14-7-1-2-11-9(5-7)8-3-4-16-6-10(8)12(15)13-11/h1-2,5,14H,3-4,6H2,(H,13,15) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 99 | n/a | n/a | n/a | n/a | n/a | n/a |
Jeil Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 |
Bioorg Med Chem Lett 20: 2250-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.014
BindingDB Entry DOI: 10.7270/Q25M65VX |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50314487
(9-(1-(2-(piperidin-1-yl)ethyl)piperidin-4-yloxy)-4...)Show SMILES O=c1[nH]c2ccc(OC3CCN(CCN4CCCCC4)CC3)cc2c2CCSCc12 Show InChI InChI=1S/C24H33N3O2S/c28-24-22-17-30-15-8-20(22)21-16-19(4-5-23(21)25-24)29-18-6-11-27(12-7-18)14-13-26-9-2-1-3-10-26/h4-5,16,18H,1-3,6-15,17H2,(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 | 173 | n/a | n/a | n/a | n/a | n/a | n/a |
Jeil Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 |
Bioorg Med Chem Lett 20: 2250-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.014
BindingDB Entry DOI: 10.7270/Q25M65VX |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50314488
(9-(1-phenylpiperidin-4-yloxy)-4,6-dihydro-1H-thiop...)Show SMILES O=c1[nH]c2ccc(OC3CCN(CC3)c3ccccc3)cc2c2CCSCc12 Show InChI InChI=1S/C23H24N2O2S/c26-23-21-15-28-13-10-19(21)20-14-18(6-7-22(20)24-23)27-17-8-11-25(12-9-17)16-4-2-1-3-5-16/h1-7,14,17H,8-13,15H2,(H,24,26) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 695 | n/a | n/a | n/a | n/a | n/a | n/a |
Jeil Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 |
Bioorg Med Chem Lett 20: 2250-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.014
BindingDB Entry DOI: 10.7270/Q25M65VX |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50314491
(9-(1-(4-(dimethylamino)phenethyl)piperidin-4-yloxy...)Show SMILES CN(C)c1ccc(CCN2CCC(CC2)Oc2ccc3[nH]c(=O)c4CSCCc4c3c2)cc1 Show InChI InChI=1S/C27H33N3O2S/c1-29(2)20-5-3-19(4-6-20)9-13-30-14-10-21(11-15-30)32-22-7-8-26-24(17-22)23-12-16-33-18-25(23)27(31)28-26/h3-8,17,21H,9-16,18H2,1-2H3,(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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Jeil Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 |
Bioorg Med Chem Lett 20: 2250-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.014
BindingDB Entry DOI: 10.7270/Q25M65VX |
More data for this
Ligand-Target Pair | |
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