Compile Data Set for Download or QSAR

Found 985 hits with Last Name = 'webber' and Initial = 'se'   

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
Thymidylate synthase (Homo sapiens (Human))	BDBM50046660 (2-[4-(2-Amino-6-methyl-4-oxo-3,4-dihydro-quinazoli...) Show SMILES Cc1ccc2nc(N)[nH]c(=O)c2c1Sc1ccc(cc1)C(=O)N[C@H](CCC(O)=O)C(O)=O Show InChI InChI=1S/C21H20N4O6S/c1-10-2-7-13-16(19(29)25-21(22)24-13)17(10)32-12-5-3-11(4-6-12)18(28)23-14(20(30)31)8-9-15(26)27/h2-7,14H,8-9H2,1H3,(H,23,28)(H,26,27)(H,30,31)(H3,22,24,25,29)/t14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	0.124	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Compound was tested for TS activity against human Thymidylate synthase by tight binding kinetics				J Med Chem 36: 733-46 (1993) BindingDB Entry DOI: 10.7270/Q2HM57JF
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50354849 (CCI-18781 | Cutivate | FLUTICASONE PROPIONATE | Fl...) Show SMILES CCC(=O)O[C@@]1([C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)SCF |r,c:18,t:14| Show InChI InChI=1S/C25H31F3O5S/c1-5-20(31)33-25(21(32)34-12-26)13(2)8-15-16-10-18(27)17-9-14(29)6-7-22(17,3)24(16,28)19(30)11-23(15,25)4/h6-7,9,13,15-16,18-19,30H,5,8,10-12H2,1-4H3/t13-,15+,16+,18+,19+,22+,23+,24+,25+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	0.238	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College Curated by PDSP Ki Database									J Pharmacol Exp Ther 314: 568-74 (2005) Article DOI: 10.1124/jpet.105.085217 BindingDB Entry DOI: 10.7270/Q2CC0Z7J
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM86696 (des-CIC | desisobutyryl-ciclesonide) Show SMILES C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)C1CCCCC1 |c:13,t:9| Show InChI InChI=1S/C28H38O6/c1-26-11-10-18(30)12-17(26)8-9-19-20-13-23-28(22(32)15-29,27(20,2)14-21(31)24(19)26)34-25(33-23)16-6-4-3-5-7-16/h10-12,16,19-21,23-25,29,31H,3-9,13-15H2,1-2H3/t19-,20-,21-,23+,24+,25+,26-,27-,28+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College Curated by PDSP Ki Database									J Pharmacol Exp Ther 314: 568-74 (2005) Article DOI: 10.1124/jpet.105.085217 BindingDB Entry DOI: 10.7270/Q2CC0Z7J
					More data for this Ligand-Target Pair				3D Structure (crystal)
Thymidylate synthase (Homo sapiens (Human))	BDBM50046665 (2-[4-(2,6-Dimethyl-4-oxo-3,4-dihydro-quinazolin-5-...) Show SMILES Cc1nc2ccc(C)c(Sc3ccc(cc3)C(=O)N[C@H](CCC(O)=O)C(O)=O)c2c(=O)[nH]1 Show InChI InChI=1S/C22H21N3O6S/c1-11-3-8-15-18(21(29)24-12(2)23-15)19(11)32-14-6-4-13(5-7-14)20(28)25-16(22(30)31)9-10-17(26)27/h3-8,16H,9-10H2,1-2H3,(H,25,28)(H,26,27)(H,30,31)(H,23,24,29)/t16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	1.31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Compound was tested for TS activity against human Thymidylate synthase by tight binding kinetics				J Med Chem 36: 733-46 (1993) BindingDB Entry DOI: 10.7270/Q2HM57JF
					More data for this Ligand-Target Pair
Genome polyprotein (Human rhinovirus B)	BDBM50055234 (1-(6-Methoxy-naphthalen-2-ylmethyl)-2,3-dioxo-2,3-...) Show SMILES COc1ccc2cc(CN3C(=O)C(=O)c4cc(ccc34)C(N)=O)ccc2c1 Show InChI InChI=1S/C21H16N2O4/c1-27-16-6-4-13-8-12(2-3-14(13)9-16)11-23-18-7-5-15(20(22)25)10-17(18)19(24)21(23)26/h2-10H,11H2,1H3,(H2,22,25)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of human rhinovirus 3C protease				J Med Chem 39: 5072-82 (1997) Article DOI: 10.1021/jm960603e BindingDB Entry DOI: 10.7270/Q2K936MP
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50145214 (2-(4-((methylamino)methyl)phenyl)-1H-benzo[d]imida...) Show SMILES CNCc1ccc(cc1)-c1nc2c(cccc2[nH]1)C(N)=O Show InChI InChI=1S/C16H16N4O/c1-18-9-10-5-7-11(8-6-10)16-19-13-4-2-3-12(15(17)21)14(13)20-16/h2-8,18H,9H2,1H3,(H2,17,21)(H,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Newcastle Curated by ChEMBL					Assay Description Binding affinity towards human poly(ADP-ribose) polymerase-1 (PARP-1)				Bioorg Med Chem Lett 14: 2433-7 (2004) Article DOI: 10.1016/j.bmcl.2004.03.017 BindingDB Entry DOI: 10.7270/Q2542N1M
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50154756 (6-(4-Methylaminomethyl-phenyl)-3,4-dihydro-2H-[1,4...) Show SMILES CNCc1ccc(cc1)-c1cc2cccc3C(=O)NCCn1c23 Show InChI InChI=1S/C19H19N3O/c1-20-12-13-5-7-14(8-6-13)17-11-15-3-2-4-16-18(15)22(17)10-9-21-19(16)23/h2-8,11,20H,9-10,12H2,1H3,(H,21,23)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global R&D--La Jolla Laboratories Curated by ChEMBL					Assay Description Inhibition of human Poly (ADP-ribose) polymerase 1 enzyme				J Med Chem 47: 5467-81 (2004) Article DOI: 10.1021/jm030513r BindingDB Entry DOI: 10.7270/Q2PK0FM4
					More data for this Ligand-Target Pair
Genome polyprotein (Human rhinovirus B)	BDBM50055232 (1-(6-Hydroxy-naphthalen-2-ylmethyl)-2,3-dioxo-2,3-...) Show SMILES NC(=O)c1ccc2N(Cc3ccc4cc(O)ccc4c3)C(=O)C(=O)c2c1 Show InChI InChI=1S/C20H14N2O4/c21-19(25)14-4-6-17-16(9-14)18(24)20(26)22(17)10-11-1-2-13-8-15(23)5-3-12(13)7-11/h1-9,23H,10H2,(H2,21,25)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of human rhinovirus 3C protease				J Med Chem 39: 5072-82 (1997) Article DOI: 10.1021/jm960603e BindingDB Entry DOI: 10.7270/Q2K936MP
					More data for this Ligand-Target Pair
Genome polyprotein (Human rhinovirus B)	BDBM50055218 (1-(2-naphthlmethyl) isatin-5-carboxamide | 1-Napht...) Show SMILES NC(=O)c1ccc2N(Cc3ccc4ccccc4c3)C(=O)C(=O)c2c1 Show InChI InChI=1S/C20H14N2O3/c21-19(24)15-7-8-17-16(10-15)18(23)20(25)22(17)11-12-5-6-13-3-1-2-4-14(13)9-12/h1-10H,11H2,(H2,21,24)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of human rhinovirus 3C protease				J Med Chem 39: 5072-82 (1997) Article DOI: 10.1021/jm960603e BindingDB Entry DOI: 10.7270/Q2K936MP
					More data for this Ligand-Target Pair
Genome polyprotein (Human rhinovirus B)	BDBM50055213 (1-(3,5-Dihydroxy-benzyl)-2,3-dioxo-2,3-dihydro-1H-...) Show SMILES NC(=O)c1ccc2N(Cc3cc(O)cc(O)c3)C(=O)C(=O)c2c1 Show InChI InChI=1S/C16H12N2O5/c17-15(22)9-1-2-13-12(5-9)14(21)16(23)18(13)7-8-3-10(19)6-11(20)4-8/h1-6,19-20H,7H2,(H2,17,22)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of human rhinovirus 3C protease				J Med Chem 39: 5072-82 (1997) Article DOI: 10.1021/jm960603e BindingDB Entry DOI: 10.7270/Q2K936MP
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50122777 (1-Phenyl-8,9-dihydro-7H-2,7,9a-triaza-benzo[cd]azu...) Show SMILES O=C1NCCn2c(nc3cccc1c23)-c1ccccc1 Show InChI InChI=1S/C16H13N3O/c20-16-12-7-4-8-13-14(12)19(10-9-17-16)15(18-13)11-5-2-1-3-6-11/h1-8H,9-10H2,(H,17,20)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global R&D Curated by ChEMBL					Assay Description Inhibitory activity of the compound against human full length Poly (ADP-ribose) polymerase 1				J Med Chem 46: 210-3 (2003) Article DOI: 10.1021/jm0255769 BindingDB Entry DOI: 10.7270/Q2154GDB
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50122775 (1-(4-Hydroxymethyl-phenyl)-8,9-dihydro-7H-2,7,9a-t...) Show SMILES OCc1ccc(cc1)-c1nc2cccc3C(=O)NCCn1c23 Show InChI InChI=1S/C17H15N3O2/c21-10-11-4-6-12(7-5-11)16-19-14-3-1-2-13-15(14)20(16)9-8-18-17(13)22/h1-7,21H,8-10H2,(H,18,22)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global R&D Curated by ChEMBL					Assay Description Inhibitory activity of the compound against human full length Poly (ADP-ribose) polymerase 1				J Med Chem 46: 210-3 (2003) Article DOI: 10.1021/jm0255769 BindingDB Entry DOI: 10.7270/Q2154GDB
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50145216 (2-(4-{[Bis-(2-hydroxy-ethyl)-amino]-methyl}-phenyl...) Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(CN(CCO)CCO)cc1 Show InChI InChI=1S/C19H22N4O3/c20-18(26)15-2-1-3-16-17(15)22-19(21-16)14-6-4-13(5-7-14)12-23(8-10-24)9-11-25/h1-7,24-25H,8-12H2,(H2,20,26)(H,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Newcastle Curated by ChEMBL					Assay Description Binding affinity towards human poly(ADP-ribose) polymerase-1 (PARP-1)				Bioorg Med Chem Lett 14: 2433-7 (2004) Article DOI: 10.1016/j.bmcl.2004.03.017 BindingDB Entry DOI: 10.7270/Q2542N1M
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50145224 (2-(4-Dimethylaminomethyl-phenyl)-1H-benzoimidazole...) Show SMILES CN(C)Cc1ccc(cc1)-c1nc2c(cccc2[nH]1)C(N)=O Show InChI InChI=1S/C17H18N4O/c1-21(2)10-11-6-8-12(9-7-11)17-19-14-5-3-4-13(16(18)22)15(14)20-17/h3-9H,10H2,1-2H3,(H2,18,22)(H,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Newcastle Curated by ChEMBL					Assay Description Binding affinity towards human poly(ADP-ribose) polymerase-1 (PARP-1)				Bioorg Med Chem Lett 14: 2433-7 (2004) Article DOI: 10.1016/j.bmcl.2004.03.017 BindingDB Entry DOI: 10.7270/Q2542N1M
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50122781 (1-Naphthalen-1-yl-8,9-dihydro-7H-2,7,9a-triaza-ben...) Show SMILES O=C1NCCn2c(nc3cccc1c23)-c1cccc2ccccc12 Show InChI InChI=1S/C20H15N3O/c24-20-16-9-4-10-17-18(16)23(12-11-21-20)19(22-17)15-8-3-6-13-5-1-2-7-14(13)15/h1-10H,11-12H2,(H,21,24)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global R&D Curated by ChEMBL					Assay Description Inhibitory activity of the compound against human full length Poly (ADP-ribose) polymerase 1				J Med Chem 46: 210-3 (2003) Article DOI: 10.1021/jm0255769 BindingDB Entry DOI: 10.7270/Q2154GDB
					More data for this Ligand-Target Pair
Genome polyprotein (Human rhinovirus B)	BDBM50065588 (CHEMBL96803 | [(S)-1-((S)-1-{(S)-1-Formyl-2-[(isox...) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CNC(=O)c1ccno1)C=O Show InChI InChI=1S/C30H35N5O7/c1-20(2)15-24(35-30(40)41-19-22-11-7-4-8-12-22)28(38)34-25(16-21-9-5-3-6-10-21)27(37)33-23(18-36)17-31-29(39)26-13-14-32-42-26/h3-14,18,20,23-25H,15-17,19H2,1-2H3,(H,31,39)(H,33,37)(H,34,38)(H,35,40)/t23-,24-,25-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity against HRV-14 3C protease.				J Med Chem 41: 2786-805 (1998) Article DOI: 10.1021/jm980071x BindingDB Entry DOI: 10.7270/Q2F76BPF
					More data for this Ligand-Target Pair
Genome polyprotein (Human rhinovirus B)	BDBM50065603 (CHEMBL96185 | {(S)-1-[(S)-1-((S)-1-Formyl-3-methan...) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCS(C)=O)C=O Show InChI InChI=1S/C28H37N3O6S/c1-20(2)16-24(31-28(35)37-19-22-12-8-5-9-13-22)27(34)30-25(17-21-10-6-4-7-11-21)26(33)29-23(18-32)14-15-38(3)36/h4-13,18,20,23-25H,14-17,19H2,1-3H3,(H,29,33)(H,30,34)(H,31,35)/t23-,24-,25-,38?/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity against HRV-14 3C protease.				J Med Chem 41: 2786-805 (1998) Article DOI: 10.1021/jm980071x BindingDB Entry DOI: 10.7270/Q2F76BPF
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50120704 (2-Naphthalen-1-yl-1,3,4,5-tetrahydro-azepino[5,4,3...) Show SMILES O=C1NCCc2c([nH]c3cccc1c23)-c1cccc2ccccc12 Show InChI InChI=1S/C21H16N2O/c24-21-17-9-4-10-18-19(17)16(11-12-22-21)20(23-18)15-8-3-6-13-5-1-2-7-14(13)15/h1-10,23H,11-12H2,(H,22,24)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro inhibitory activity towards human poly(ADP-ribose) polymerase 1 (PARP-1).				J Med Chem 45: 4961-74 (2002) BindingDB Entry DOI: 10.7270/Q2T152ZP
					More data for this Ligand-Target Pair
Genome polyprotein (Human rhinovirus B)	BDBM50065598 (CHEMBL419332 | {(S)-1-[(S)-1-((S)-3-Dimethylcarbam...) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)N(C)C)C=O Show InChI InChI=1S/C30H40N4O6/c1-21(2)17-25(33-30(39)40-20-23-13-9-6-10-14-23)29(38)32-26(18-22-11-7-5-8-12-22)28(37)31-24(19-35)15-16-27(36)34(3)4/h5-14,19,21,24-26H,15-18,20H2,1-4H3,(H,31,37)(H,32,38)(H,33,39)/t24-,25-,26-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity against HRV-14 3C protease.				J Med Chem 41: 2786-805 (1998) Article DOI: 10.1021/jm980071x BindingDB Entry DOI: 10.7270/Q2F76BPF
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27685 (2-{4-[(dimethylamino)methyl]phenyl}-3,10-diazatric...) Show SMILES CN(C)Cc1ccc(cc1)-c1[nH]c2cccc3C(=O)NCCc1c23 Show InChI InChI=1S/C20H21N3O/c1-23(2)12-13-6-8-14(9-7-13)19-15-10-11-21-20(24)16-4-3-5-17(22-19)18(15)16/h3-9,22H,10-12H2,1-2H3,(H,21,24)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro inhibitory activity towards human poly(ADP-ribose) polymerase 1 (PARP-1).				J Med Chem 45: 4961-74 (2002) BindingDB Entry DOI: 10.7270/Q2T152ZP
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50120707 (2-Thiophen-2-yl-1,3,4,5-tetrahydro-azepino[5,4,3-c...) Show SMILES O=C1NCCc2c([nH]c3cccc1c23)-c1cccs1 Show InChI InChI=1S/C15H12N2OS/c18-15-10-3-1-4-11-13(10)9(6-7-16-15)14(17-11)12-5-2-8-19-12/h1-5,8,17H,6-7H2,(H,16,18)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro inhibitory activity towards human poly(ADP-ribose) polymerase 1 (PARP-1).				J Med Chem 45: 4961-74 (2002) BindingDB Entry DOI: 10.7270/Q2T152ZP
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50120702 (2-(4-Trifluoromethyl-phenyl)-1,3,4,5-tetrahydro-az...) Show SMILES FC(F)(F)c1ccc(cc1)-c1[nH]c2cccc3C(=O)NCCc1c23 Show InChI InChI=1S/C18H13F3N2O/c19-18(20,21)11-6-4-10(5-7-11)16-12-8-9-22-17(24)13-2-1-3-14(23-16)15(12)13/h1-7,23H,8-9H2,(H,22,24)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro inhibitory activity towards human poly(ADP-ribose) polymerase 1 (PARP-1).				J Med Chem 45: 4961-74 (2002) BindingDB Entry DOI: 10.7270/Q2T152ZP
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50145223 (2-(3-Dimethylaminomethyl-phenyl)-1H-benzoimidazole...) Show SMILES CN(C)Cc1cccc(c1)-c1nc2c(cccc2[nH]1)C(N)=O Show InChI InChI=1S/C17H18N4O/c1-21(2)10-11-5-3-6-12(9-11)17-19-14-8-4-7-13(16(18)22)15(14)20-17/h3-9H,10H2,1-2H3,(H2,18,22)(H,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Newcastle Curated by ChEMBL					Assay Description Binding affinity towards human poly(ADP-ribose) polymerase-1 (PARP-1)				Bioorg Med Chem Lett 14: 2433-7 (2004) Article DOI: 10.1016/j.bmcl.2004.03.017 BindingDB Entry DOI: 10.7270/Q2542N1M
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50122779 (1-(4-Chloro-phenyl)-8,9-dihydro-7H-2,7,9a-triaza-b...) Show SMILES Clc1ccc(cc1)-c1nc2cccc3C(=O)NCCn1c23 Show InChI InChI=1S/C16H12ClN3O/c17-11-6-4-10(5-7-11)15-19-13-3-1-2-12-14(13)20(15)9-8-18-16(12)21/h1-7H,8-9H2,(H,18,21)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global R&D Curated by ChEMBL					Assay Description Inhibitory activity of the compound against human full length Poly (ADP-ribose) polymerase 1				J Med Chem 46: 210-3 (2003) Article DOI: 10.1021/jm0255769 BindingDB Entry DOI: 10.7270/Q2154GDB
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50122776 (1-(4-Dimethylaminomethyl-phenyl)-8,9-dihydro-7H-2,...) Show SMILES CN(C)Cc1ccc(cc1)-c1nc2cccc3C(=O)NCCn1c23 Show InChI InChI=1S/C19H20N4O/c1-22(2)12-13-6-8-14(9-7-13)18-21-16-5-3-4-15-17(16)23(18)11-10-20-19(15)24/h3-9H,10-12H2,1-2H3,(H,20,24)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	5.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global R&D Curated by ChEMBL					Assay Description Inhibitory activity of the compound against human full length Poly (ADP-ribose) polymerase 1				J Med Chem 46: 210-3 (2003) Article DOI: 10.1021/jm0255769 BindingDB Entry DOI: 10.7270/Q2154GDB
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50145225 (2-(4-Pyrrolidin-1-ylmethyl-phenyl)-1H-benzoimidazo...) Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(CN2CCCC2)cc1 Show InChI InChI=1S/C19H20N4O/c20-18(24)15-4-3-5-16-17(15)22-19(21-16)14-8-6-13(7-9-14)12-23-10-1-2-11-23/h3-9H,1-2,10-12H2,(H2,20,24)(H,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Newcastle Curated by ChEMBL					Assay Description Binding affinity towards human poly(ADP-ribose) polymerase-1 (PARP-1)				Bioorg Med Chem Lett 14: 2433-7 (2004) Article DOI: 10.1016/j.bmcl.2004.03.017 BindingDB Entry DOI: 10.7270/Q2542N1M
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50145221 (2-{4-[(4-Methoxy-benzyl)-methyl-amino]-phenyl}-1H-...) Show SMILES COc1ccc(CN(C)c2ccc(cc2)-c2nc3c(cccc3[nH]2)C(N)=O)cc1 Show InChI InChI=1S/C23H22N4O2/c1-27(14-15-6-12-18(29-2)13-7-15)17-10-8-16(9-11-17)23-25-20-5-3-4-19(22(24)28)21(20)26-23/h3-13H,14H2,1-2H3,(H2,24,28)(H,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Newcastle Curated by ChEMBL					Assay Description Binding affinity towards human poly(ADP-ribose) polymerase-1 (PARP-1)				Bioorg Med Chem Lett 14: 2433-7 (2004) Article DOI: 10.1016/j.bmcl.2004.03.017 BindingDB Entry DOI: 10.7270/Q2542N1M
					More data for this Ligand-Target Pair
Genome polyprotein (Human rhinovirus B)	BDBM50055217 (1-(3,4-Dimethyl-benzyl)-2,3-dioxo-2,3-dihydro-1H-i...) Show SMILES Cc1ccc(CN2C(=O)C(=O)c3cc(ccc23)C(N)=O)cc1C Show InChI InChI=1S/C18H16N2O3/c1-10-3-4-12(7-11(10)2)9-20-15-6-5-13(17(19)22)8-14(15)16(21)18(20)23/h3-8H,9H2,1-2H3,(H2,19,22)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of human rhinovirus 3C protease				J Med Chem 39: 5072-82 (1997) Article DOI: 10.1021/jm960603e BindingDB Entry DOI: 10.7270/Q2K936MP
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50120726 (2-(3-Trifluoromethyl-phenyl)-1,3,4,5-tetrahydro-az...) Show SMILES FC(F)(F)c1cccc(c1)-c1[nH]c2cccc3C(=O)NCCc1c23 Show InChI InChI=1S/C18H13F3N2O/c19-18(20,21)11-4-1-3-10(9-11)16-12-7-8-22-17(24)13-5-2-6-14(23-16)15(12)13/h1-6,9,23H,7-8H2,(H,22,24)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro inhibitory activity towards human poly(ADP-ribose) polymerase 1 (PARP-1).				J Med Chem 45: 4961-74 (2002) BindingDB Entry DOI: 10.7270/Q2T152ZP
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50093374 (2-(4-Hydroxy-phenyl)-1H-benzoimidazole-4-carboxyli...) Show SMILES NC(=O)c1cccc2nc([nH]c12)-c1ccc(O)cc1 Show InChI InChI=1S/C14H11N3O2/c15-13(19)10-2-1-3-11-12(10)17-14(16-11)8-4-6-9(18)7-5-8/h1-7,18H,(H2,15,19)(H,16,17)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global R&D--La Jolla Laboratories Curated by ChEMBL					Assay Description Inhibition of human Poly (ADP-ribose) polymerase 1 enzyme				J Med Chem 47: 5467-81 (2004) Article DOI: 10.1021/jm030513r BindingDB Entry DOI: 10.7270/Q2PK0FM4
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50120728 (2-(4-Methoxy-phenyl)-1,3,4,5-tetrahydro-azepino[5,...) Show SMILES COc1ccc(cc1)-c1[nH]c2cccc3C(=O)NCCc1c23 Show InChI InChI=1S/C18H16N2O2/c1-22-12-7-5-11(6-8-12)17-13-9-10-19-18(21)14-3-2-4-15(20-17)16(13)14/h2-8,20H,9-10H2,1H3,(H,19,21)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro inhibitory activity towards human poly(ADP-ribose) polymerase 1 (PARP-1).				J Med Chem 45: 4961-74 (2002) BindingDB Entry DOI: 10.7270/Q2T152ZP
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50120724 (2-Phenyl-1,3,4,5-tetrahydro-azepino[5,4,3-cd]indol...) Show SMILES O=C1NCCc2c([nH]c3cccc1c23)-c1ccccc1 Show InChI InChI=1S/C17H14N2O/c20-17-13-7-4-8-14-15(13)12(9-10-18-17)16(19-14)11-5-2-1-3-6-11/h1-8,19H,9-10H2,(H,18,20)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro inhibitory activity towards human poly(ADP-ribose) polymerase 1 (PARP-1).				J Med Chem 45: 4961-74 (2002) BindingDB Entry DOI: 10.7270/Q2T152ZP
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50154726 (6-(4-Fluoro-phenyl)-1-oxo-1,2,3,4-tetrahydro-[1,4]...) Show SMILES Fc1ccc(cc1)-c1c(CN=O)c2cccc3C(=O)NCCn1c23 Show InChI InChI=1S/C18H14FN3O2/c19-12-6-4-11(5-7-12)16-15(10-21-24)13-2-1-3-14-17(13)22(16)9-8-20-18(14)23/h1-7H,8-10H2,(H,20,23)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global R&D--La Jolla Laboratories Curated by ChEMBL					Assay Description Inhibition of human Poly (ADP-ribose) polymerase 1 enzyme				J Med Chem 47: 5467-81 (2004) Article DOI: 10.1021/jm030513r BindingDB Entry DOI: 10.7270/Q2PK0FM4
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50120706 (2-(4-Pyrrol-1-ylmethyl-phenyl)-1,3,4,5-tetrahydro-...) Show SMILES O=C1NCCc2c([nH]c3cccc1c23)-c1ccc(Cn2cccc2)cc1 Show InChI InChI=1S/C22H19N3O/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/h1-9,12-13,24H,10-11,14H2,(H,23,26)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro inhibitory activity of the compound towards human Poly (ADP-ribose) polymerase 1 (PARP-1)				J Med Chem 45: 4961-74 (2002) BindingDB Entry DOI: 10.7270/Q2T152ZP
					More data for this Ligand-Target Pair
Genome polyprotein (Human rhinovirus B)	BDBM50065590 (((S)-1-{(S)-1-[(S)-1-(Acetylamino-methyl)-2-oxo-et...) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CNC(C)=O)C=O Show InChI InChI=1S/C28H36N4O6/c1-19(2)14-24(32-28(37)38-18-22-12-8-5-9-13-22)27(36)31-25(15-21-10-6-4-7-11-21)26(35)30-23(17-33)16-29-20(3)34/h4-13,17,19,23-25H,14-16,18H2,1-3H3,(H,29,34)(H,30,35)(H,31,36)(H,32,37)/t23-,24-,25-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity against HRV-14 3C protease.				J Med Chem 41: 2786-805 (1998) Article DOI: 10.1021/jm980071x BindingDB Entry DOI: 10.7270/Q2F76BPF
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50122772 (1-(3-Dimethylaminomethyl-phenyl)-8,9-dihydro-7H-2,...) Show SMILES CN(C)Cc1cccc(c1)-c1nc2cccc3C(=O)NCCn1c23 Show InChI InChI=1S/C19H20N4O/c1-22(2)12-13-5-3-6-14(11-13)18-21-16-8-4-7-15-17(16)23(18)10-9-20-19(15)24/h3-8,11H,9-10,12H2,1-2H3,(H,20,24)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global R&D Curated by ChEMBL					Assay Description Inhibitory activity of the compound against human full length Poly (ADP-ribose) polymerase 1				J Med Chem 46: 210-3 (2003) Article DOI: 10.1021/jm0255769 BindingDB Entry DOI: 10.7270/Q2154GDB
					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 SMILES CN(C)Cc1ccc(cc1)-c1cc2cccc3C(=O)NCCn1c23 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 AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global R&D--La Jolla Laboratories Curated by ChEMBL					Assay Description Inhibition of human Poly (ADP-ribose) polymerase 1 enzyme				J Med Chem 47: 5467-81 (2004) Article DOI: 10.1021/jm030513r BindingDB Entry DOI: 10.7270/Q2PK0FM4
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM18207 ((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...) Show SMILES [H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |c:28,t:24| Show InChI InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	6.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College Curated by PDSP Ki Database									J Pharmacol Exp Ther 314: 568-74 (2005) Article DOI: 10.1124/jpet.105.085217 BindingDB Entry DOI: 10.7270/Q2CC0Z7J
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50154750 (6-(4-Pyrrol-1-ylmethyl-phenyl)-3,4-dihydro-2H-[1,4...) Show SMILES O=C1NCCn2c(cc3cccc1c23)-c1ccc(Cn2cccc2)cc1 Show InChI InChI=1S/C22H19N3O/c26-22-19-5-3-4-18-14-20(25(21(18)19)13-10-23-22)17-8-6-16(7-9-17)15-24-11-1-2-12-24/h1-9,11-12,14H,10,13,15H2,(H,23,26)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global R&D--La Jolla Laboratories Curated by ChEMBL					Assay Description Inhibition of human Poly (ADP-ribose) polymerase 1 enzyme				J Med Chem 47: 5467-81 (2004) Article DOI: 10.1021/jm030513r BindingDB Entry DOI: 10.7270/Q2PK0FM4
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50154728 (6-(3-Methylaminomethyl-phenyl)-3,4-dihydro-2H-[1,4...) Show SMILES CNCc1cccc(c1)-c1cc2cccc3C(=O)NCCn1c23 Show InChI InChI=1S/C19H19N3O/c1-20-12-13-4-2-5-14(10-13)17-11-15-6-3-7-16-18(15)22(17)9-8-21-19(16)23/h2-7,10-11,20H,8-9,12H2,1H3,(H,21,23)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global R&D--La Jolla Laboratories Curated by ChEMBL					Assay Description Inhibition of human Poly (ADP-ribose) polymerase 1 enzyme				J Med Chem 47: 5467-81 (2004) Article DOI: 10.1021/jm030513r BindingDB Entry DOI: 10.7270/Q2PK0FM4
					More data for this Ligand-Target Pair
Genome polyprotein (Human rhinovirus B)	BDBM50065586 (((S)-3-Methyl-1-{(S)-1-[(S)-2-oxo-1-(propionylamin...) Show SMILES CCC(=O)NC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C=O Show InChI InChI=1S/C29H38N4O6/c1-4-26(35)30-17-23(18-34)31-27(36)25(16-21-11-7-5-8-12-21)32-28(37)24(15-20(2)3)33-29(38)39-19-22-13-9-6-10-14-22/h5-14,18,20,23-25H,4,15-17,19H2,1-3H3,(H,30,35)(H,31,36)(H,32,37)(H,33,38)/t23-,24-,25-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity against HRV-14 3C protease.				J Med Chem 41: 2786-805 (1998) Article DOI: 10.1021/jm980071x BindingDB Entry DOI: 10.7270/Q2F76BPF
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50120718 (2-Pyridin-3-yl-1,3,4,5-tetrahydro-azepino[5,4,3-cd...) Show SMILES O=C1NCCc2c([nH]c3cccc1c23)-c1cccnc1 Show InChI InChI=1S/C16H13N3O/c20-16-12-4-1-5-13-14(12)11(6-8-18-16)15(19-13)10-3-2-7-17-9-10/h1-5,7,9,19H,6,8H2,(H,18,20)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro inhibitory activity towards human poly(ADP-ribose) polymerase 1 (PARP-1).				J Med Chem 45: 4961-74 (2002) BindingDB Entry DOI: 10.7270/Q2T152ZP
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50120721 (1-Methyl-2-phenyl-1,3,4,5-tetrahydro-azepino[5,4,3...) Show SMILES Cn1c(c2CCNC(=O)c3cccc1c23)-c1ccccc1 Show InChI InChI=1S/C18H16N2O/c1-20-15-9-5-8-14-16(15)13(10-11-19-18(14)21)17(20)12-6-3-2-4-7-12/h2-9H,10-11H2,1H3,(H,19,21)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro inhibitory activity towards human poly(ADP-ribose) polymerase 1 (PARP-1).				J Med Chem 45: 4961-74 (2002) BindingDB Entry DOI: 10.7270/Q2T152ZP
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50120710 (2-(3-Amino-phenyl)-1,3,4,5-tetrahydro-azepino[5,4,...) Show SMILES Nc1cccc(c1)-c1[nH]c2cccc3C(=O)NCCc1c23 Show InChI InChI=1S/C17H15N3O/c18-11-4-1-3-10(9-11)16-12-7-8-19-17(21)13-5-2-6-14(20-16)15(12)13/h1-6,9,20H,7-8,18H2,(H,19,21)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro inhibitory activity towards human poly(ADP-ribose) polymerase 1 (PARP-1).				J Med Chem 45: 4961-74 (2002) BindingDB Entry DOI: 10.7270/Q2T152ZP
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50145219 (2-(4-Piperidin-1-ylmethyl-phenyl)-1H-benzoimidazol...) Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(CN2CCCCC2)cc1 Show InChI InChI=1S/C20H22N4O/c21-19(25)16-5-4-6-17-18(16)23-20(22-17)15-9-7-14(8-10-15)13-24-11-2-1-3-12-24/h4-10H,1-3,11-13H2,(H2,21,25)(H,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Newcastle Curated by ChEMBL					Assay Description Binding affinity towards human poly(ADP-ribose) polymerase-1 (PARP-1)				Bioorg Med Chem Lett 14: 2433-7 (2004) Article DOI: 10.1016/j.bmcl.2004.03.017 BindingDB Entry DOI: 10.7270/Q2542N1M
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50154739 (6-(4-Chloro-phenyl)-1-oxo-1,2,3,4-tetrahydro-[1,4]...) Show SMILES Clc1ccc(cc1)-c1c(CN=O)c2cccc3C(=O)NCCn1c23 Show InChI InChI=1S/C18H14ClN3O2/c19-12-6-4-11(5-7-12)16-15(10-21-24)13-2-1-3-14-17(13)22(16)9-8-20-18(14)23/h1-7H,8-10H2,(H,20,23)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global R&D--La Jolla Laboratories Curated by ChEMBL					Assay Description Inhibition of human Poly (ADP-ribose) polymerase 1 enzyme				J Med Chem 47: 5467-81 (2004) Article DOI: 10.1021/jm030513r BindingDB Entry DOI: 10.7270/Q2PK0FM4
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50122774 (1-(2-Chloro-phenyl)-8,9-dihydro-7H-2,7,9a-triaza-b...) Show SMILES Clc1ccccc1-c1nc2cccc3C(=O)NCCn1c23 Show InChI InChI=1S/C16H12ClN3O/c17-12-6-2-1-4-10(12)15-19-13-7-3-5-11-14(13)20(15)9-8-18-16(11)21/h1-7H,8-9H2,(H,18,21)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global R&D Curated by ChEMBL					Assay Description Inhibitory activity of the compound against human full length Poly (ADP-ribose) polymerase 1				J Med Chem 46: 210-3 (2003) Article DOI: 10.1021/jm0255769 BindingDB Entry DOI: 10.7270/Q2154GDB
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50120723 (2-(3-Dimethylaminomethyl-phenyl)-1,3,4,5-tetrahydr...) Show SMILES CN(C)Cc1cccc(c1)-c1[nH]c2cccc3C(=O)NCCc1c23 Show InChI InChI=1S/C20H21N3O/c1-23(2)12-13-5-3-6-14(11-13)19-15-9-10-21-20(24)16-7-4-8-17(22-19)18(15)16/h3-8,11,22H,9-10,12H2,1-2H3,(H,21,24)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro inhibitory activity towards human poly(ADP-ribose) polymerase 1 (PARP-1).				J Med Chem 45: 4961-74 (2002) BindingDB Entry DOI: 10.7270/Q2T152ZP
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50120731 (2-(1H-Pyrrol-2-yl)-1,3,4,5-tetrahydro-azepino[5,4,...) Show SMILES O=C1NCCc2c([nH]c3cccc1c23)-c1ccc[nH]1 Show InChI InChI=1S/C15H13N3O/c19-15-10-3-1-4-11-13(10)9(6-8-17-15)14(18-11)12-5-2-7-16-12/h1-5,7,16,18H,6,8H2,(H,17,19)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro inhibitory activity towards human poly(ADP-ribose) polymerase 1 (PARP-1).				J Med Chem 45: 4961-74 (2002) BindingDB Entry DOI: 10.7270/Q2T152ZP
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50120720 (2-(2-Chloro-phenyl)-1,3,4,5-tetrahydro-azepino[5,4...) Show SMILES Clc1ccccc1-c1[nH]c2cccc3C(=O)NCCc1c23 Show InChI InChI=1S/C17H13ClN2O/c18-13-6-2-1-4-10(13)16-11-8-9-19-17(21)12-5-3-7-14(20-16)15(11)12/h1-7,20H,8-9H2,(H,19,21)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro inhibitory activity towards human poly(ADP-ribose) polymerase 1 (PARP-1).				J Med Chem 45: 4961-74 (2002) BindingDB Entry DOI: 10.7270/Q2T152ZP
					More data for this Ligand-Target Pair

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