Found 29 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)) | 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 | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PARP-1 after 1 hr by ELISA |
Bioorg Med Chem Lett 24: 2669-73 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.061
BindingDB Entry DOI: 10.7270/Q2ZC84FM |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50018702
(CHEMBL3291333)Show SMILES CN(C)C1CCN(CC1)C(=O)c1sc2c([nH]c(=O)c3ccccc23)c1C Show InChI InChI=1S/C20H23N3O2S/c1-12-16-18(14-6-4-5-7-15(14)19(24)21-16)26-17(12)20(25)23-10-8-13(9-11-23)22(2)3/h4-7,13H,8-11H2,1-3H3,(H,21,24) | 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 |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PARP-1 after 1 hr by ELISA |
Bioorg Med Chem Lett 24: 2669-73 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.061
BindingDB Entry DOI: 10.7270/Q2ZC84FM |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50018758
(CHEMBL3291311)Show InChI InChI=1S/C17H18N4O2/c1-20-14(17(23)21-8-6-18-7-9-21)10-13-15(20)11-4-2-3-5-12(11)16(22)19-13/h2-5,10,18H,6-9H2,1H3,(H,19,22) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PARP-1 after 1 hr by ELISA |
Bioorg Med Chem Lett 24: 2669-73 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.061
BindingDB Entry DOI: 10.7270/Q2ZC84FM |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50018700
(CHEMBL3291331)Show SMILES CCN1CCN(CC1)C(=O)c1sc2c([nH]c(=O)c3ccccc23)c1C Show InChI InChI=1S/C19H21N3O2S/c1-3-21-8-10-22(11-9-21)19(24)16-12(2)15-17(25-16)13-6-4-5-7-14(13)18(23)20-15/h4-7H,3,8-11H2,1-2H3,(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 | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PARP-1 after 1 hr by ELISA |
Bioorg Med Chem Lett 24: 2669-73 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.061
BindingDB Entry DOI: 10.7270/Q2ZC84FM |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50018705
(CHEMBL3291335)Show SMILES Cc1c(sc2c1[nH]c(=O)c1ccccc21)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C19H21N3O3S/c1-12-15-17(13-4-2-3-5-14(13)18(23)21-15)26-16(12)19(24)20-6-7-22-8-10-25-11-9-22/h2-5H,6-11H2,1H3,(H,20,24)(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 | 83 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PARP-1 after 1 hr by ELISA |
Bioorg Med Chem Lett 24: 2669-73 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.061
BindingDB Entry DOI: 10.7270/Q2ZC84FM |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50018701
(CHEMBL3291332)Show SMILES CC(C)N1CCN(CC1)C(=O)c1sc2c([nH]c(=O)c3ccccc23)c1C Show InChI InChI=1S/C20H23N3O2S/c1-12(2)22-8-10-23(11-9-22)20(25)17-13(3)16-18(26-17)14-6-4-5-7-15(14)19(24)21-16/h4-7,12H,8-11H2,1-3H3,(H,21,24) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 86 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PARP-1 after 1 hr by ELISA |
Bioorg Med Chem Lett 24: 2669-73 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.061
BindingDB Entry DOI: 10.7270/Q2ZC84FM |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50018753
(CHEMBL3291324)Show SMILES Cn1c(C(=O)N2CCCNCC2)c(Br)c2[nH]c(=O)c3ccccc3c12 Show InChI InChI=1S/C18H19BrN4O2/c1-22-15-11-5-2-3-6-12(11)17(24)21-14(15)13(19)16(22)18(25)23-9-4-7-20-8-10-23/h2-3,5-6,20H,4,7-10H2,1H3,(H,21,24) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PARP-1 after 1 hr by ELISA |
Bioorg Med Chem Lett 24: 2669-73 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.061
BindingDB Entry DOI: 10.7270/Q2ZC84FM |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50018752
(CHEMBL3291323)Show SMILES Cn1c(C(=O)N2CCCNCC2)c(Cl)c2[nH]c(=O)c3ccccc3c12 Show InChI InChI=1S/C18H19ClN4O2/c1-22-15-11-5-2-3-6-12(11)17(24)21-14(15)13(19)16(22)18(25)23-9-4-7-20-8-10-23/h2-3,5-6,20H,4,7-10H2,1H3,(H,21,24) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PARP-1 after 1 hr by ELISA |
Bioorg Med Chem Lett 24: 2669-73 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.061
BindingDB Entry DOI: 10.7270/Q2ZC84FM |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50018751
(CHEMBL3291322)Show SMILES Cn1c(cc2[nH]c(=O)c3ccccc3c12)C(=O)NCCCN1CCOCC1 Show InChI InChI=1S/C20H24N4O3/c1-23-17(20(26)21-7-4-8-24-9-11-27-12-10-24)13-16-18(23)14-5-2-3-6-15(14)19(25)22-16/h2-3,5-6,13H,4,7-12H2,1H3,(H,21,26)(H,22,25) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PARP-1 after 1 hr by ELISA |
Bioorg Med Chem Lett 24: 2669-73 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.061
BindingDB Entry DOI: 10.7270/Q2ZC84FM |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50018747
(CHEMBL3291318)Show SMILES Cn1c(cc2[nH]c(=O)c3ccccc3c12)C(=O)N1CCCNCC1 Show InChI InChI=1S/C18H20N4O2/c1-21-15(18(24)22-9-4-7-19-8-10-22)11-14-16(21)12-5-2-3-6-13(12)17(23)20-14/h2-3,5-6,11,19H,4,7-10H2,1H3,(H,20,23) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PARP-1 after 1 hr by ELISA |
Bioorg Med Chem Lett 24: 2669-73 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.061
BindingDB Entry DOI: 10.7270/Q2ZC84FM |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50018732
(CHEMBL3291312)Show SMILES CN1CCN(CC1)C(=O)c1cc2[nH]c(=O)c3ccccc3c2n1C Show InChI InChI=1S/C18H20N4O2/c1-20-7-9-22(10-8-20)18(24)15-11-14-16(21(15)2)12-5-3-4-6-13(12)17(23)19-14/h3-6,11H,7-10H2,1-2H3,(H,19,23) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 119 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PARP-1 after 1 hr by ELISA |
Bioorg Med Chem Lett 24: 2669-73 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.061
BindingDB Entry DOI: 10.7270/Q2ZC84FM |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50018703
(CHEMBL3286446)Show SMILES Cc1c(sc2c1[nH]c(=O)c1ccccc21)C(=O)N1CCC(=CC1)c1ccc(F)cc1 |c:23| Show InChI InChI=1S/C24H19FN2O2S/c1-14-20-22(18-4-2-3-5-19(18)23(28)26-20)30-21(14)24(29)27-12-10-16(11-13-27)15-6-8-17(25)9-7-15/h2-10H,11-13H2,1H3,(H,26,28) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 133 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PARP-1 after 1 hr by ELISA |
Bioorg Med Chem Lett 24: 2669-73 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.061
BindingDB Entry DOI: 10.7270/Q2ZC84FM |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50018748
(CHEMBL3291319)Show SMILES CN1CCCN(CC1)C(=O)c1cc2[nH]c(=O)c3ccccc3c2n1C Show InChI InChI=1S/C19H22N4O2/c1-21-8-5-9-23(11-10-21)19(25)16-12-15-17(22(16)2)13-6-3-4-7-14(13)18(24)20-15/h3-4,6-7,12H,5,8-11H2,1-2H3,(H,20,24) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PARP-1 after 1 hr by ELISA |
Bioorg Med Chem Lett 24: 2669-73 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.061
BindingDB Entry DOI: 10.7270/Q2ZC84FM |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50018699
(CHEMBL3291330)Show SMILES CN1CCN(CC1)C(=O)c1sc2c([nH]c(=O)c3ccccc23)c1C Show InChI InChI=1S/C18H19N3O2S/c1-11-14-16(12-5-3-4-6-13(12)17(22)19-14)24-15(11)18(23)21-9-7-20(2)8-10-21/h3-6H,7-10H2,1-2H3,(H,19,22) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 231 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PARP-1 after 1 hr by ELISA |
Bioorg Med Chem Lett 24: 2669-73 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.061
BindingDB Entry DOI: 10.7270/Q2ZC84FM |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50018706
(CHEMBL3291336)Show SMILES Cc1c(sc2c1[nH]c(=O)c1ccccc21)C(=O)NCCN1CCCC1 Show InChI InChI=1S/C19H21N3O2S/c1-12-15-17(13-6-2-3-7-14(13)18(23)21-15)25-16(12)19(24)20-8-11-22-9-4-5-10-22/h2-3,6-7H,4-5,8-11H2,1H3,(H,20,24)(H,21,23) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 248 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PARP-1 after 1 hr by ELISA |
Bioorg Med Chem Lett 24: 2669-73 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.061
BindingDB Entry DOI: 10.7270/Q2ZC84FM |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50018704
(CHEMBL3291334)Show SMILES CN1CCN(CCNC(=O)c2sc3c([nH]c(=O)c4ccccc34)c2C)CC1 Show InChI InChI=1S/C20H24N4O2S/c1-13-16-18(14-5-3-4-6-15(14)19(25)22-16)27-17(13)20(26)21-7-8-24-11-9-23(2)10-12-24/h3-6H,7-12H2,1-2H3,(H,21,26)(H,22,25) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 284 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PARP-1 after 1 hr by ELISA |
Bioorg Med Chem Lett 24: 2669-73 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.061
BindingDB Entry DOI: 10.7270/Q2ZC84FM |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50018750
(CHEMBL3291321)Show InChI InChI=1S/C18H22N4O2/c1-21(2)10-6-9-19-18(24)15-11-14-16(22(15)3)12-7-4-5-8-13(12)17(23)20-14/h4-5,7-8,11H,6,9-10H2,1-3H3,(H,19,24)(H,20,23) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PARP-1 after 1 hr by ELISA |
Bioorg Med Chem Lett 24: 2669-73 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.061
BindingDB Entry DOI: 10.7270/Q2ZC84FM |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50018744
(CHEMBL3291315)Show SMILES COc1cccc(CN2CCN(CC2)C(=O)c2cc3[nH]c(=O)c4ccccc4c3n2C)c1 Show InChI InChI=1S/C25H26N4O3/c1-27-22(15-21-23(27)19-8-3-4-9-20(19)24(30)26-21)25(31)29-12-10-28(11-13-29)16-17-6-5-7-18(14-17)32-2/h3-9,14-15H,10-13,16H2,1-2H3,(H,26,30) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PARP-1 after 1 hr by ELISA |
Bioorg Med Chem Lett 24: 2669-73 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.061
BindingDB Entry DOI: 10.7270/Q2ZC84FM |
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
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 520 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of PARP-1 (unknown origin) |
Bioorg Med Chem Lett 24: 2669-73 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.061
BindingDB Entry DOI: 10.7270/Q2ZC84FM |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50018746
(CHEMBL3291317)Show SMILES CC(C)S(=O)(=O)N1CCN(CC1)C(=O)c1cc2[nH]c(=O)c3ccccc3c2n1C Show InChI InChI=1S/C20H24N4O4S/c1-13(2)29(27,28)24-10-8-23(9-11-24)20(26)17-12-16-18(22(17)3)14-6-4-5-7-15(14)19(25)21-16/h4-7,12-13H,8-11H2,1-3H3,(H,21,25) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PARP-1 after 1 hr by ELISA |
Bioorg Med Chem Lett 24: 2669-73 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.061
BindingDB Entry DOI: 10.7270/Q2ZC84FM |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50018742
(CHEMBL3291313)Show SMILES CC(C)N1CCN(CC1)C(=O)c1cc2[nH]c(=O)c3ccccc3c2n1C Show InChI InChI=1S/C20H24N4O2/c1-13(2)23-8-10-24(11-9-23)20(26)17-12-16-18(22(17)3)14-6-4-5-7-15(14)19(25)21-16/h4-7,12-13H,8-11H2,1-3H3,(H,21,25) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 830 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PARP-1 after 1 hr by ELISA |
Bioorg Med Chem Lett 24: 2669-73 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.061
BindingDB Entry DOI: 10.7270/Q2ZC84FM |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50018743
(CHEMBL3291314)Show SMILES Cn1c(cc2[nH]c(=O)c3ccccc3c12)C(=O)N1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C24H24N4O2/c1-26-21(15-20-22(26)18-9-5-6-10-19(18)23(29)25-20)24(30)28-13-11-27(12-14-28)16-17-7-3-2-4-8-17/h2-10,15H,11-14,16H2,1H3,(H,25,29) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 860 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PARP-1 after 1 hr by ELISA |
Bioorg Med Chem Lett 24: 2669-73 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.061
BindingDB Entry DOI: 10.7270/Q2ZC84FM |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50018749
(CHEMBL3291320)Show InChI InChI=1S/C17H20N4O2/c1-20(2)9-8-18-17(23)14-10-13-15(21(14)3)11-6-4-5-7-12(11)16(22)19-13/h4-7,10H,8-9H2,1-3H3,(H,18,23)(H,19,22) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PARP-1 after 1 hr by ELISA |
Bioorg Med Chem Lett 24: 2669-73 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.061
BindingDB Entry DOI: 10.7270/Q2ZC84FM |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50018756
(CHEMBL3291327)Show SMILES Cn1c(cc2CNC(=O)c3ccccc3-c12)C(=O)N1CCC(=CC1)c1ccc(F)cc1 |c:24| Show InChI InChI=1S/C25H22FN3O2/c1-28-22(14-18-15-27-24(30)21-5-3-2-4-20(21)23(18)28)25(31)29-12-10-17(11-13-29)16-6-8-19(26)9-7-16/h2-10,14H,11-13,15H2,1H3,(H,27,30) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 1.67E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PARP-1 after 1 hr by ELISA |
Bioorg Med Chem Lett 24: 2669-73 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.061
BindingDB Entry DOI: 10.7270/Q2ZC84FM |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50018755
(CHEMBL3291326)Show SMILES CN(C)C1CCN(CC1)C(=O)c1cc2CNC(=O)c3ccccc3-c2n1C Show InChI InChI=1S/C21H26N4O2/c1-23(2)15-8-10-25(11-9-15)21(27)18-12-14-13-22-20(26)17-7-5-4-6-16(17)19(14)24(18)3/h4-7,12,15H,8-11,13H2,1-3H3,(H,22,26) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 6.43E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PARP-1 after 1 hr by ELISA |
Bioorg Med Chem Lett 24: 2669-73 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.061
BindingDB Entry DOI: 10.7270/Q2ZC84FM |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50018698
(CHEMBL3291329)Show SMILES Cn1c(cc2CNC(=O)c3ccccc3-c12)C(=O)NCCN1CCCC1 Show InChI InChI=1S/C20H24N4O2/c1-23-17(20(26)21-8-11-24-9-4-5-10-24)12-14-13-22-19(25)16-7-3-2-6-15(16)18(14)23/h2-3,6-7,12H,4-5,8-11,13H2,1H3,(H,21,26)(H,22,25) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.17E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PARP-1 after 1 hr by ELISA |
Bioorg Med Chem Lett 24: 2669-73 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.061
BindingDB Entry DOI: 10.7270/Q2ZC84FM |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50018757
(CHEMBL3291328)Show SMILES CN1CCCN(CC1)C(=O)c1cc2CNC(=O)c3ccccc3-c2n1C Show InChI InChI=1S/C20H24N4O2/c1-22-8-5-9-24(11-10-22)20(26)17-12-14-13-21-19(25)16-7-4-3-6-15(16)18(14)23(17)2/h3-4,6-7,12H,5,8-11,13H2,1-2H3,(H,21,25) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PARP-1 after 1 hr by ELISA |
Bioorg Med Chem Lett 24: 2669-73 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.061
BindingDB Entry DOI: 10.7270/Q2ZC84FM |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50018754
(CHEMBL3291325)Show InChI InChI=1S/C19H22N4O2/c1-21-7-9-23(10-8-21)19(25)16-11-13-12-20-18(24)15-6-4-3-5-14(15)17(13)22(16)2/h3-6,11H,7-10,12H2,1-2H3,(H,20,24) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PARP-1 after 1 hr by ELISA |
Bioorg Med Chem Lett 24: 2669-73 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.061
BindingDB Entry DOI: 10.7270/Q2ZC84FM |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50018745
(CHEMBL3291316)Show SMILES Cn1c(cc2[nH]c(=O)c3ccccc3c12)C(=O)N1CCN(Cc2ccc(cc2)[N+]([O-])=O)CC1 Show InChI InChI=1S/C24H23N5O4/c1-26-21(14-20-22(26)18-4-2-3-5-19(18)23(30)25-20)24(31)28-12-10-27(11-13-28)15-16-6-8-17(9-7-16)29(32)33/h2-9,14H,10-13,15H2,1H3,(H,25,30) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PARP-1 after 1 hr by ELISA |
Bioorg Med Chem Lett 24: 2669-73 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.061
BindingDB Entry DOI: 10.7270/Q2ZC84FM |
More data for this
Ligand-Target Pair | |
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