Compile Data Set for Download or QSAR

Found 265 hits with Last Name = 'giomini' and Initial = 'c'   

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))	BDBM50316229 (2-(1,2,3,4-tetrahydroisoquinolin-6-yl)-2H-indazole...) Show SMILES NC(=O)c1cccc2cn(nc12)-c1ccc2CNCCc2c1 Show InChI InChI=1S/C17H16N4O/c18-17(22)15-3-1-2-13-10-21(20-16(13)15)14-5-4-12-9-19-7-6-11(12)8-14/h1-5,8,10,19H,6-7,9H2,(H2,18,22)	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 Labs Rome Curated by ChEMBL					Assay Description Inhibition of human PARP1 by SPA				J Med Chem 52: 7170-85 (2009) Article DOI: 10.1021/jm901188v BindingDB Entry DOI: 10.7270/Q2DN457M
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50316242 (2-(4-(piperidin-1-ylmethyl)phenyl)-2H-indazole-7-c...) Show SMILES NC(=O)c1cccc2cn(nc12)-c1ccc(CN2CCCCC2)cc1 Show InChI InChI=1S/C20H22N4O/c21-20(25)18-6-4-5-16-14-24(22-19(16)18)17-9-7-15(8-10-17)13-23-11-2-1-3-12-23/h4-10,14H,1-3,11-13H2,(H2,21,25)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
IRBM/Merck Research Labs Rome Curated by ChEMBL					Assay Description Inhibition of human PARP1 by SPA				J Med Chem 52: 7170-85 (2009) Article DOI: 10.1021/jm901188v BindingDB Entry DOI: 10.7270/Q2DN457M
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Homo sapiens (Human))	BDBM50316226 ((S)-2-(4-(piperidin-3-yl)phenyl)-2H-indazole-7-car...) Show SMILES NC(=O)c1cccc2cn(nc12)-c1ccc(cc1)[C@@H]1CCCNC1 |r| Show InChI InChI=1S/C19H20N4O/c20-19(24)17-5-1-3-15-12-23(22-18(15)17)16-8-6-13(7-9-16)14-4-2-10-21-11-14/h1,3,5-9,12,14,21H,2,4,10-11H2,(H2,20,24)/t14-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
IRBM/Merck Research Labs Rome Curated by ChEMBL					Assay Description Inhibition of human PARP2 by trichloroacetic acid precipitation assay				J Med Chem 52: 7170-85 (2009) Article DOI: 10.1021/jm901188v BindingDB Entry DOI: 10.7270/Q2DN457M
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50316237 (2-(4-{[(2-Fluoroethyl)amino]methyl}phenyl)-2H-inda...) Show SMILES NC(=O)c1cccc2cn(nc12)-c1ccc(CNCCF)cc1 Show InChI InChI=1S/C17H17FN4O/c18-8-9-20-10-12-4-6-14(7-5-12)22-11-13-2-1-3-15(17(19)23)16(13)21-22/h1-7,11,20H,8-10H2,(H2,19,23)	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 Labs Rome Curated by ChEMBL					Assay Description Inhibition of human PARP1 by SPA				J Med Chem 52: 7170-85 (2009) Article DOI: 10.1021/jm901188v BindingDB Entry DOI: 10.7270/Q2DN457M
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50316230 (2-(1,2,3,4-tetrahydroisoquinolin-7-yl)-2H-indazole...) Show SMILES NC(=O)c1cccc2cn(nc12)-c1ccc2CCNCc2c1 Show InChI InChI=1S/C17H16N4O/c18-17(22)15-3-1-2-12-10-21(20-16(12)15)14-5-4-11-6-7-19-9-13(11)8-14/h1-5,8,10,19H,6-7,9H2,(H2,18,22)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
IRBM/Merck Research Labs Rome Curated by ChEMBL					Assay Description Inhibition of human PARP1 by SPA				J Med Chem 52: 7170-85 (2009) Article DOI: 10.1021/jm901188v BindingDB Entry DOI: 10.7270/Q2DN457M
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50316225 ((R)-2-(4-(piperidin-3-yl)phenyl)-2H-indazole-7-car...) Show SMILES NC(=O)c1cccc2cn(nc12)-c1ccc(cc1)[C@H]1CCCNC1 |r| Show InChI InChI=1S/C19H20N4O/c20-19(24)17-5-1-3-15-12-23(22-18(15)17)16-8-6-13(7-9-16)14-4-2-10-21-11-14/h1,3,5-9,12,14,21H,2,4,10-11H2,(H2,20,24)/t14-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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 Labs Rome Curated by ChEMBL					Assay Description Inhibition of human PARP1 by SPA				J Med Chem 52: 7170-85 (2009) Article DOI: 10.1021/jm901188v BindingDB Entry DOI: 10.7270/Q2DN457M
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50352418 (CHEMBL1823863) Show SMILES Cn1c(nc2ccccc12)-c1noc(n1)N1CCN(CC1)C(=O)NC1CCCCC1 Show InChI InChI=1S/C21H27N7O2/c1-26-17-10-6-5-9-16(17)23-19(26)18-24-21(30-25-18)28-13-11-27(12-14-28)20(29)22-15-7-3-2-4-8-15/h5-6,9-10,15H,2-4,7-8,11-14H2,1H3,(H,22,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis				Bioorg Med Chem Lett 21: 5274-82 (2011) Article DOI: 10.1016/j.bmcl.2011.07.031 BindingDB Entry DOI: 10.7270/Q2MC90DS
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50316228 (2-(4-(pyrrolidin-2-yl)phenyl)-2H-indazole-7-carbox...) Show SMILES NC(=O)c1cccc2cn(nc12)-c1ccc(cc1)C1CCCN1 Show InChI InChI=1S/C18H18N4O/c19-18(23)15-4-1-3-13-11-22(21-17(13)15)14-8-6-12(7-9-14)16-5-2-10-20-16/h1,3-4,6-9,11,16,20H,2,5,10H2,(H2,19,23)	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 Labs Rome Curated by ChEMBL					Assay Description Inhibition of human PARP1 by SPA				J Med Chem 52: 7170-85 (2009) Article DOI: 10.1021/jm901188v BindingDB Entry DOI: 10.7270/Q2DN457M
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50316225 ((R)-2-(4-(piperidin-3-yl)phenyl)-2H-indazole-7-car...) Show SMILES NC(=O)c1cccc2cn(nc12)-c1ccc(cc1)[C@H]1CCCNC1 |r| Show InChI InChI=1S/C19H20N4O/c20-19(24)17-5-1-3-15-12-23(22-18(15)17)16-8-6-13(7-9-16)14-4-2-10-21-11-14/h1,3,5-9,12,14,21H,2,4,10-11H2,(H2,20,24)/t14-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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 Labs Rome Curated by ChEMBL					Assay Description Inhibition of human PARP1 by SPA				J Med Chem 52: 7170-85 (2009) Article DOI: 10.1021/jm901188v BindingDB Entry DOI: 10.7270/Q2DN457M
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50316226 ((S)-2-(4-(piperidin-3-yl)phenyl)-2H-indazole-7-car...) Show SMILES NC(=O)c1cccc2cn(nc12)-c1ccc(cc1)[C@@H]1CCCNC1 |r| Show InChI InChI=1S/C19H20N4O/c20-19(24)17-5-1-3-15-12-23(22-18(15)17)16-8-6-13(7-9-16)14-4-2-10-21-11-14/h1,3,5-9,12,14,21H,2,4,10-11H2,(H2,20,24)/t14-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
IRBM/Merck Research Labs Rome Curated by ChEMBL					Assay Description Inhibition of human PARP1 by SPA				J Med Chem 52: 7170-85 (2009) Article DOI: 10.1021/jm901188v BindingDB Entry DOI: 10.7270/Q2DN457M
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50316234 (2-(4-(1-(methylamino)ethyl)phenyl)-2H-indazole-7-c...) Show SMILES CNC(C)c1ccc(cc1)-n1cc2cccc(C(N)=O)c2n1 Show InChI InChI=1S/C17H18N4O/c1-11(19-2)12-6-8-14(9-7-12)21-10-13-4-3-5-15(17(18)22)16(13)20-21/h3-11,19H,1-2H3,(H2,18,22)	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 Labs Rome Curated by ChEMBL					Assay Description Inhibition of human PARP1 by SPA				J Med Chem 52: 7170-85 (2009) Article DOI: 10.1021/jm901188v BindingDB Entry DOI: 10.7270/Q2DN457M
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50316244 (2-(4-((dimethylamino)methyl)phenyl)-2H-indazole-7-...) Show SMILES CN(C)Cc1ccc(cc1)-n1cc2cccc(C(N)=O)c2n1 Show InChI InChI=1S/C17H18N4O/c1-20(2)10-12-6-8-14(9-7-12)21-11-13-4-3-5-15(17(18)22)16(13)19-21/h3-9,11H,10H2,1-2H3,(H2,18,22)	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 Labs Rome Curated by ChEMBL					Assay Description Inhibition of human PARP1 by SPA				J Med Chem 52: 7170-85 (2009) Article DOI: 10.1021/jm901188v BindingDB Entry DOI: 10.7270/Q2DN457M
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50306210 (2-(4-((methylamino)methyl)phenyl)-2H-indazole-7-ca...) Show SMILES CNCc1ccc(cc1)-n1cc2cccc(C(N)=O)c2n1 Show InChI InChI=1S/C16H16N4O/c1-18-9-11-5-7-13(8-6-11)20-10-12-3-2-4-14(16(17)21)15(12)19-20/h2-8,10,18H,9H2,1H3,(H2,17,21)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
IRBM/Merck Research Labs Rome Curated by ChEMBL					Assay Description Inhibition of human PARP1 by SPA				J Med Chem 52: 7170-85 (2009) Article DOI: 10.1021/jm901188v BindingDB Entry DOI: 10.7270/Q2DN457M
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50316238 (2-{4-[(Ethylamino)methyl]phenyl}-2H-indazole-7-car...) Show SMILES CCNCc1ccc(cc1)-n1cc2cccc(C(N)=O)c2n1 Show InChI InChI=1S/C17H18N4O/c1-2-19-10-12-6-8-14(9-7-12)21-11-13-4-3-5-15(17(18)22)16(13)20-21/h3-9,11,19H,2,10H2,1H3,(H2,18,22)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
IRBM/Merck Research Labs Rome Curated by ChEMBL					Assay Description Inhibition of human PARP1 by SPA				J Med Chem 52: 7170-85 (2009) Article DOI: 10.1021/jm901188v BindingDB Entry DOI: 10.7270/Q2DN457M
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50316243 (2-[4-(Pyrrolidin-1-ylmethyl)phenyl]-2H-indazole-7-...) Show SMILES NC(=O)c1cccc2cn(nc12)-c1ccc(CN2CCCC2)cc1 Show InChI InChI=1S/C19H20N4O/c20-19(24)17-5-3-4-15-13-23(21-18(15)17)16-8-6-14(7-9-16)12-22-10-1-2-11-22/h3-9,13H,1-2,10-12H2,(H2,20,24)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
IRBM/Merck Research Labs Rome Curated by ChEMBL					Assay Description Inhibition of human PARP1 by SPA				J Med Chem 52: 7170-85 (2009) Article DOI: 10.1021/jm901188v BindingDB Entry DOI: 10.7270/Q2DN457M
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50316231 (2-(3-((methylamino)methyl)phenyl)-2H-indazole-7-ca...) Show SMILES CNCc1cccc(c1)-n1cc2cccc(C(N)=O)c2n1 Show InChI InChI=1S/C16H16N4O/c1-18-9-11-4-2-6-13(8-11)20-10-12-5-3-7-14(16(17)21)15(12)19-20/h2-8,10,18H,9H2,1H3,(H2,17,21)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
IRBM/Merck Research Labs Rome Curated by ChEMBL					Assay Description Inhibition of human PARP1 by SPA				J Med Chem 52: 7170-85 (2009) Article DOI: 10.1021/jm901188v BindingDB Entry DOI: 10.7270/Q2DN457M
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50316239 (2-(4-(((2-(dimethylamino)ethyl)(methyl)amino)methy...) Show SMILES CN(C)CCN(C)Cc1ccc(cc1)-n1cc2cccc(C(N)=O)c2n1 Show InChI InChI=1S/C20H25N5O/c1-23(2)11-12-24(3)13-15-7-9-17(10-8-15)25-14-16-5-4-6-18(20(21)26)19(16)22-25/h4-10,14H,11-13H2,1-3H3,(H2,21,26)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a	n/a
IRBM/Merck Research Labs Rome Curated by ChEMBL					Assay Description Inhibition of human PARP1 by SPA				J Med Chem 52: 7170-85 (2009) Article DOI: 10.1021/jm901188v BindingDB Entry DOI: 10.7270/Q2DN457M
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50316235 (2-(4-((isopropylamino)methyl)phenyl)-2H-indazole-7...) Show SMILES CC(C)NCc1ccc(cc1)-n1cc2cccc(C(N)=O)c2n1 Show InChI InChI=1S/C18H20N4O/c1-12(2)20-10-13-6-8-15(9-7-13)22-11-14-4-3-5-16(18(19)23)17(14)21-22/h3-9,11-12,20H,10H2,1-2H3,(H2,19,23)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
IRBM/Merck Research Labs Rome Curated by ChEMBL					Assay Description Inhibition of human PARP1 by SPA				J Med Chem 52: 7170-85 (2009) Article DOI: 10.1021/jm901188v BindingDB Entry DOI: 10.7270/Q2DN457M
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50352419 (CHEMBL1823864) Show SMILES Cn1c(nc2ccccc12)-c1noc(n1)N1CCN(CC1)C(=O)NC1CCC(F)(F)CC1 Show InChI InChI=1S/C21H25F2N7O2/c1-28-16-5-3-2-4-15(16)25-18(28)17-26-20(32-27-17)30-12-10-29(11-13-30)19(31)24-14-6-8-21(22,23)9-7-14/h2-5,14H,6-13H2,1H3,(H,24,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis				Bioorg Med Chem Lett 21: 5274-82 (2011) Article DOI: 10.1016/j.bmcl.2011.07.031 BindingDB Entry DOI: 10.7270/Q2MC90DS
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50316227 (2-(4-(piperidin-4-yl)phenyl)-2H-indazole-7-carboxa...) Show SMILES NC(=O)c1cccc2cn(nc12)-c1ccc(cc1)C1CCNCC1 Show InChI InChI=1S/C19H20N4O/c20-19(24)17-3-1-2-15-12-23(22-18(15)17)16-6-4-13(5-7-16)14-8-10-21-11-9-14/h1-7,12,14,21H,8-11H2,(H2,20,24)	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 Labs Rome Curated by ChEMBL					Assay Description Inhibition of human PARP1 by SPA				J Med Chem 52: 7170-85 (2009) Article DOI: 10.1021/jm901188v BindingDB Entry DOI: 10.7270/Q2DN457M
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50295219 (2-(4-methyl-1,4-diazepane-1-carbonyl)pyrazolo[1,5-...) Show SMILES CN1CCCN(CC1)C(=O)c1cc2[nH]c(=O)c3ccccc3n2n1 Show InChI InChI=1S/C17H19N5O2/c1-20-7-4-8-21(10-9-20)17(24)13-11-15-18-16(23)12-5-2-3-6-14(12)22(15)19-13/h2-3,5-6,11H,4,7-10H2,1H3,(H,18,23)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
IRBM - Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of PARP1 by scintillation proximity assay				Bioorg Med Chem Lett 19: 4196-200 (2009) Article DOI: 10.1016/j.bmcl.2009.05.113 BindingDB Entry DOI: 10.7270/Q2MG7PHP
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50352296 (CHEMBL1822468) Show SMILES FC1(F)CCC(CC1)NC(=O)N1CCN(CC1)c1nc(no1)-c1ccc2ccccc2n1 Show InChI InChI=1S/C22H24F2N6O2/c23-22(24)9-7-16(8-10-22)25-20(31)29-11-13-30(14-12-29)21-27-19(28-32-21)18-6-5-15-3-1-2-4-17(15)26-18/h1-6,16H,7-14H2,(H,25,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis				Bioorg Med Chem Lett 21: 5274-82 (2011) Article DOI: 10.1016/j.bmcl.2011.07.031 BindingDB Entry DOI: 10.7270/Q2MC90DS
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50316249 (2-(3-Chlorophenyl)-2H-indazole-7-carboxamide | CHE...) Show SMILES NC(=O)c1cccc2cn(nc12)-c1cccc(Cl)c1 Show InChI InChI=1S/C14H10ClN3O/c15-10-4-2-5-11(7-10)18-8-9-3-1-6-12(14(16)19)13(9)17-18/h1-8H,(H2,16,19)	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 Labs Rome Curated by ChEMBL					Assay Description Inhibition of human PARP1 by SPA				J Med Chem 52: 7170-85 (2009) Article DOI: 10.1021/jm901188v BindingDB Entry DOI: 10.7270/Q2DN457M
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50316236 (2-(4-{[(2,2-Difluoroethyl)amino]methyl}phenyl)-2H-...) Show SMILES NC(=O)c1cccc2cn(nc12)-c1ccc(CNCC(F)F)cc1 Show InChI InChI=1S/C17H16F2N4O/c18-15(19)9-21-8-11-4-6-13(7-5-11)23-10-12-2-1-3-14(17(20)24)16(12)22-23/h1-7,10,15,21H,8-9H2,(H2,20,24)	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 Labs Rome Curated by ChEMBL					Assay Description Inhibition of human PARP1 by SPA				J Med Chem 52: 7170-85 (2009) Article DOI: 10.1021/jm901188v BindingDB Entry DOI: 10.7270/Q2DN457M
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50316233 (2-(4-(2-(methylamino)propan-2-yl)phenyl)-2H-indazo...) Show SMILES CNC(C)(C)c1ccc(cc1)-n1cc2cccc(C(N)=O)c2n1 Show InChI InChI=1S/C18H20N4O/c1-18(2,20-3)13-7-9-14(10-8-13)22-11-12-5-4-6-15(17(19)23)16(12)21-22/h4-11,20H,1-3H3,(H2,19,23)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
IRBM/Merck Research Labs Rome Curated by ChEMBL					Assay Description Inhibition of human PARP1 by SPA				J Med Chem 52: 7170-85 (2009) Article DOI: 10.1021/jm901188v BindingDB Entry DOI: 10.7270/Q2DN457M
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50316241 (2-[4-(Morpholin-4-ylmethyl)phenyl]-2H-indazole-7-c...) Show SMILES NC(=O)c1cccc2cn(nc12)-c1ccc(CN2CCOCC2)cc1 Show InChI InChI=1S/C19H20N4O2/c20-19(24)17-3-1-2-15-13-23(21-18(15)17)16-6-4-14(5-7-16)12-22-8-10-25-11-9-22/h1-7,13H,8-12H2,(H2,20,24)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
IRBM/Merck Research Labs Rome Curated by ChEMBL					Assay Description Inhibition of human PARP1 by SPA				J Med Chem 52: 7170-85 (2009) Article DOI: 10.1021/jm901188v BindingDB Entry DOI: 10.7270/Q2DN457M
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50306166 (2-phenyl-2H-indazole-7-carboxamide | CHEMBL594298) Show SMILES NC(=O)c1cccc2cn(nc12)-c1ccccc1 Show InChI InChI=1S/C14H11N3O/c15-14(18)12-8-4-5-10-9-17(16-13(10)12)11-6-2-1-3-7-11/h1-9H,(H2,15,18)	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 Labs Rome Curated by ChEMBL					Assay Description Inhibition of human PARP1 by SPA				J Med Chem 52: 7170-85 (2009) Article DOI: 10.1021/jm901188v BindingDB Entry DOI: 10.7270/Q2DN457M
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50316248 (2-(4-Chlorophenyl)-2H-indazole-7-carboxamide | CHE...) Show SMILES NC(=O)c1cccc2cn(nc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C14H10ClN3O/c15-10-4-6-11(7-5-10)18-8-9-2-1-3-12(14(16)19)13(9)17-18/h1-8H,(H2,16,19)	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 Labs Rome Curated by ChEMBL					Assay Description Inhibition of human PARP1 by SPA				J Med Chem 52: 7170-85 (2009) Article DOI: 10.1021/jm901188v BindingDB Entry DOI: 10.7270/Q2DN457M
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50352419 (CHEMBL1823864) Show SMILES Cn1c(nc2ccccc12)-c1noc(n1)N1CCN(CC1)C(=O)NC1CCC(F)(F)CC1 Show InChI InChI=1S/C21H25F2N7O2/c1-28-16-5-3-2-4-15(16)25-18(28)17-26-20(32-27-17)30-12-10-29(11-13-30)19(31)24-14-6-8-21(22,23)9-7-14/h2-5,14H,6-13H2,1H3,(H,24,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric ...				Bioorg Med Chem Lett 21: 5274-82 (2011) Article DOI: 10.1016/j.bmcl.2011.07.031 BindingDB Entry DOI: 10.7270/Q2MC90DS
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50295217 (2-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]quinazoli...) Show SMILES COc1cc(cc(OC)c1OC)-c1cc2[nH]c(=O)c3ccccc3n2n1 Show InChI InChI=1S/C19H17N3O4/c1-24-15-8-11(9-16(25-2)18(15)26-3)13-10-17-20-19(23)12-6-4-5-7-14(12)22(17)21-13/h4-10H,1-3H3,(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	30	n/a	n/a	n/a	n/a	n/a	n/a
IRBM - Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of PARP1 by scintillation proximity assay				Bioorg Med Chem Lett 19: 4196-200 (2009) Article DOI: 10.1016/j.bmcl.2009.05.113 BindingDB Entry DOI: 10.7270/Q2MG7PHP
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50295218 (2-(1,4-diazepane-1-carbonyl)pyrazolo[1,5-a]quinazo...) Show SMILES O=C(N1CCCNCC1)c1cc2[nH]c(=O)c3ccccc3n2n1 Show InChI InChI=1S/C16H17N5O2/c22-15-11-4-1-2-5-13(11)21-14(18-15)10-12(19-21)16(23)20-8-3-6-17-7-9-20/h1-2,4-5,10,17H,3,6-9H2,(H,18,22)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
IRBM - Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of PARP1 by scintillation proximity assay				Bioorg Med Chem Lett 19: 4196-200 (2009) Article DOI: 10.1016/j.bmcl.2009.05.113 BindingDB Entry DOI: 10.7270/Q2MG7PHP
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50316240 (2-{4-[(4-Methylpiperazin-1-yl)methyl]phenyl}-2H-in...) Show SMILES CN1CCN(Cc2ccc(cc2)-n2cc3cccc(C(N)=O)c3n2)CC1 Show InChI InChI=1S/C20H23N5O/c1-23-9-11-24(12-10-23)13-15-5-7-17(8-6-15)25-14-16-3-2-4-18(20(21)26)19(16)22-25/h2-8,14H,9-13H2,1H3,(H2,21,26)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
IRBM/Merck Research Labs Rome Curated by ChEMBL					Assay Description Inhibition of human PARP1 by SPA				J Med Chem 52: 7170-85 (2009) Article DOI: 10.1021/jm901188v BindingDB Entry DOI: 10.7270/Q2DN457M
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50352418 (CHEMBL1823863) Show SMILES Cn1c(nc2ccccc12)-c1noc(n1)N1CCN(CC1)C(=O)NC1CCCCC1 Show InChI InChI=1S/C21H27N7O2/c1-26-17-10-6-5-9-16(17)23-19(26)18-24-21(30-25-18)28-13-11-27(12-14-28)20(29)22-15-7-3-2-4-8-15/h5-6,9-10,15H,2-4,7-8,11-14H2,1H3,(H,22,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric ...				Bioorg Med Chem Lett 21: 5274-82 (2011) Article DOI: 10.1016/j.bmcl.2011.07.031 BindingDB Entry DOI: 10.7270/Q2MC90DS
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50158845 (2-(3-(3-(2-chlorobenzyl)ureido)thiophen-2-yl)-5,6-...) Show SMILES OC(=O)c1nc([nH]c(=O)c1O)-c1sccc1NC(=O)NCc1ccccc1Cl Show InChI InChI=1S/C17H13ClN4O5S/c18-9-4-2-1-3-8(9)7-19-17(27)20-10-5-6-28-13(10)14-21-11(16(25)26)12(23)15(24)22-14/h1-6,23H,7H2,(H,25,26)(H2,19,20,27)(H,21,22,24)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
P. Angeletti S.p.A. (Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against HCV 1b BK NS5B deltaC55 RNA polymerase involving manganese chelation				J Med Chem 49: 1693-705 (2006) Article DOI: 10.1021/jm051064t BindingDB Entry DOI: 10.7270/Q2QJ7GWR
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50352296 (CHEMBL1822468) Show SMILES FC1(F)CCC(CC1)NC(=O)N1CCN(CC1)c1nc(no1)-c1ccc2ccccc2n1 Show InChI InChI=1S/C22H24F2N6O2/c23-22(24)9-7-16(8-10-22)25-20(31)29-11-13-30(14-12-29)21-27-19(28-32-21)18-6-5-15-3-1-2-4-17(15)26-18/h1-6,16H,7-14H2,(H,25,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric ...				Bioorg Med Chem Lett 21: 5274-82 (2011) Article DOI: 10.1016/j.bmcl.2011.07.031 BindingDB Entry DOI: 10.7270/Q2MC90DS
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50158845 (2-(3-(3-(2-chlorobenzyl)ureido)thiophen-2-yl)-5,6-...) Show SMILES OC(=O)c1nc([nH]c(=O)c1O)-c1sccc1NC(=O)NCc1ccccc1Cl Show InChI InChI=1S/C17H13ClN4O5S/c18-9-4-2-1-3-8(9)7-19-17(27)20-10-5-6-28-13(10)14-21-11(16(25)26)12(23)15(24)22-14/h1-6,23H,7H2,(H,25,26)(H2,19,20,27)(H,21,22,24)	PDB UniProtKB/TrEMBL B.MOAD 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
P. Angeletti S.p.A. (Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against HCV 2a BK NS5B deltaC21 RNA polymerase				J Med Chem 49: 1693-705 (2006) Article DOI: 10.1021/jm051064t BindingDB Entry DOI: 10.7270/Q2QJ7GWR
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50158845 (2-(3-(3-(2-chlorobenzyl)ureido)thiophen-2-yl)-5,6-...) Show SMILES OC(=O)c1nc([nH]c(=O)c1O)-c1sccc1NC(=O)NCc1ccccc1Cl Show InChI InChI=1S/C17H13ClN4O5S/c18-9-4-2-1-3-8(9)7-19-17(27)20-10-5-6-28-13(10)14-21-11(16(25)26)12(23)15(24)22-14/h1-6,23H,7H2,(H,25,26)(H2,19,20,27)(H,21,22,24)	PDB UniProtKB/TrEMBL B.MOAD 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
P. Angeletti S.p.A. (Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against HCV 1b BK NS5B deltaC21 RNA polymerase				J Med Chem 49: 1693-705 (2006) Article DOI: 10.1021/jm051064t BindingDB Entry DOI: 10.7270/Q2QJ7GWR
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50352420 (CHEMBL1823865) Show SMILES O=C(NC1CCCCC1)N1CCN(CC1)c1nc(no1)-c1ccc2ccccc2n1 Show InChI InChI=1S/C22H26N6O2/c29-21(23-17-7-2-1-3-8-17)27-12-14-28(15-13-27)22-25-20(26-30-22)19-11-10-16-6-4-5-9-18(16)24-19/h4-6,9-11,17H,1-3,7-8,12-15H2,(H,23,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis				Bioorg Med Chem Lett 21: 5274-82 (2011) Article DOI: 10.1016/j.bmcl.2011.07.031 BindingDB Entry DOI: 10.7270/Q2MC90DS
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50158845 (2-(3-(3-(2-chlorobenzyl)ureido)thiophen-2-yl)-5,6-...) Show SMILES OC(=O)c1nc([nH]c(=O)c1O)-c1sccc1NC(=O)NCc1ccccc1Cl Show InChI InChI=1S/C17H13ClN4O5S/c18-9-4-2-1-3-8(9)7-19-17(27)20-10-5-6-28-13(10)14-21-11(16(25)26)12(23)15(24)22-14/h1-6,23H,7H2,(H,25,26)(H2,19,20,27)(H,21,22,24)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
P. Angeletti S.p.A. (Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against HCV 3a BK NS5B deltaC21 RNA polymerase				J Med Chem 49: 1693-705 (2006) Article DOI: 10.1021/jm051064t BindingDB Entry DOI: 10.7270/Q2QJ7GWR
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50316246 (2-phenylpyrazolo-[1,5-a]pyridine-7-carboxamide | C...) Show SMILES NC(=O)c1cccc2cc(nn12)C1CCCCC1 Show InChI InChI=1S/C14H17N3O/c15-14(18)13-8-4-7-11-9-12(16-17(11)13)10-5-2-1-3-6-10/h4,7-10H,1-3,5-6H2,(H2,15,18)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
IRBM/Merck Research Labs Rome Curated by ChEMBL					Assay Description Inhibition of human PARP1 by SPA				J Med Chem 52: 7170-85 (2009) Article DOI: 10.1021/jm901188v BindingDB Entry DOI: 10.7270/Q2DN457M
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50183509 (5,6-dihydroxy-2-(3-nitro-2-thienyl)pyrimidine-4-ca...) Show SMILES OC(=O)c1nc([nH]c(=O)c1O)-c1sccc1[N+]([O-])=O Show InChI InChI=1S/C9H5N3O6S/c13-5-4(9(15)16)10-7(11-8(5)14)6-3(12(17)18)1-2-19-6/h1-2,13H,(H,15,16)(H,10,11,14)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
P. Angeletti S.p.A. (Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against HCV 1b BK NS5B deltaC55 RNA polymerase involving manganese chelation				J Med Chem 49: 1693-705 (2006) Article DOI: 10.1021/jm051064t BindingDB Entry DOI: 10.7270/Q2QJ7GWR
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50295216 (CHEMBL561717 | N-((1-methylpiperidin-4-yl)methyl)-...) Show SMILES CN1CCC(CNC(=O)c2cc3[nH]c(=O)c4ccccc4n3n2)CC1 Show InChI InChI=1S/C18H21N5O2/c1-22-8-6-12(7-9-22)11-19-18(25)14-10-16-20-17(24)13-4-2-3-5-15(13)23(16)21-14/h2-5,10,12H,6-9,11H2,1H3,(H,19,25)(H,20,24)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
IRBM - Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of PARP1 by scintillation proximity assay				Bioorg Med Chem Lett 19: 4196-200 (2009) Article DOI: 10.1016/j.bmcl.2009.05.113 BindingDB Entry DOI: 10.7270/Q2MG7PHP
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50316247 (2-phenyl-2H-benzo[d][1,2,3]triazole-4-carboxamide ...) Show SMILES NC(=O)c1cccc2nn(nc12)-c1ccccc1 Show InChI InChI=1S/C13H10N4O/c14-13(18)10-7-4-8-11-12(10)16-17(15-11)9-5-2-1-3-6-9/h1-8H,(H2,14,18)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
IRBM/Merck Research Labs Rome Curated by ChEMBL					Assay Description Inhibition of human PARP1 by SPA				J Med Chem 52: 7170-85 (2009) Article DOI: 10.1021/jm901188v BindingDB Entry DOI: 10.7270/Q2DN457M
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50183482 (2-[3-({[(2-chlorobenzyl)amino]carbonyl}amino)-2-th...) Show SMILES Cn1c(nc(C(O)=O)c(O)c1=O)-c1sccc1NC(=O)Nc1ccccc1Cl Show InChI InChI=1S/C17H13ClN4O5S/c1-22-14(21-11(16(25)26)12(23)15(22)24)13-10(6-7-28-13)20-17(27)19-9-5-3-2-4-8(9)18/h2-7,23H,1H3,(H,25,26)(H2,19,20,27)	PDB UniProtKB/TrEMBL B.MOAD 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
P. Angeletti S.p.A. (Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against HCV 1b BK NS5B deltaC55 RNA polymerase involving manganese chelation				J Med Chem 49: 1693-705 (2006) Article DOI: 10.1021/jm051064t BindingDB Entry DOI: 10.7270/Q2QJ7GWR
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50295215 (CHEMBL550382 | N-((1-methylpyrrolidin-3-yl)methyl)...) Show SMILES CN1CCC(CNC(=O)c2cc3[nH]c(=O)c4ccccc4n3n2)C1 Show InChI InChI=1S/C17H19N5O2/c1-21-7-6-11(10-21)9-18-17(24)13-8-15-19-16(23)12-4-2-3-5-14(12)22(15)20-13/h2-5,8,11H,6-7,9-10H2,1H3,(H,18,24)(H,19,23)	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
IRBM - Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of PARP1 by scintillation proximity assay				Bioorg Med Chem Lett 19: 4196-200 (2009) Article DOI: 10.1016/j.bmcl.2009.05.113 BindingDB Entry DOI: 10.7270/Q2MG7PHP
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50295214 (CHEMBL559584 | N-(2-(1-morpholinocyclopentyl)ethyl...) Show SMILES O=C(NCCC1(CCCC1)N1CCOCC1)c1cc2[nH]c(=O)c3ccccc3n2n1 Show InChI InChI=1S/C22H27N5O3/c28-20-16-5-1-2-6-18(16)27-19(24-20)15-17(25-27)21(29)23-10-9-22(7-3-4-8-22)26-11-13-30-14-12-26/h1-2,5-6,15H,3-4,7-14H2,(H,23,29)(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	90	n/a	n/a	n/a	n/a	n/a	n/a
IRBM - Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of PARP1 by scintillation proximity assay				Bioorg Med Chem Lett 19: 4196-200 (2009) Article DOI: 10.1016/j.bmcl.2009.05.113 BindingDB Entry DOI: 10.7270/Q2MG7PHP
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50316250 (2-(2-Chlorophenyl)-2H-indazole-7-carboxamide | CHE...) Show SMILES NC(=O)c1cccc2cn(nc12)-c1ccccc1Cl Show InChI InChI=1S/C14H10ClN3O/c15-11-6-1-2-7-12(11)18-8-9-4-3-5-10(14(16)19)13(9)17-18/h1-8H,(H2,16,19)	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
IRBM/Merck Research Labs Rome Curated by ChEMBL					Assay Description Inhibition of human PARP1 by SPA				J Med Chem 52: 7170-85 (2009) Article DOI: 10.1021/jm901188v BindingDB Entry DOI: 10.7270/Q2DN457M
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50295213 (CHEMBL550501 | N-(2-(dimethylamino)ethyl)-N-methyl...) Show SMILES CN(C)CCN(C)C(=O)c1cc2[nH]c(=O)c3ccccc3n2n1 Show InChI InChI=1S/C16H19N5O2/c1-19(2)8-9-20(3)16(23)12-10-14-17-15(22)11-6-4-5-7-13(11)21(14)18-12/h4-7,10H,8-9H2,1-3H3,(H,17,22)	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
IRBM - Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of PARP1 by scintillation proximity assay				Bioorg Med Chem Lett 19: 4196-200 (2009) Article DOI: 10.1016/j.bmcl.2009.05.113 BindingDB Entry DOI: 10.7270/Q2MG7PHP
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50295212 (2-(2,3-dimethoxyphenyl)pyrazolo[1,5-a]quinazolin-5...) Show SMILES COc1cccc(-c2cc3[nH]c(=O)c4ccccc4n3n2)c1OC Show InChI InChI=1S/C18H15N3O3/c1-23-15-9-5-7-11(17(15)24-2)13-10-16-19-18(22)12-6-3-4-8-14(12)21(16)20-13/h3-10H,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	100	n/a	n/a	n/a	n/a	n/a	n/a
IRBM - Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of PARP1 by scintillation proximity assay				Bioorg Med Chem Lett 19: 4196-200 (2009) Article DOI: 10.1016/j.bmcl.2009.05.113 BindingDB Entry DOI: 10.7270/Q2MG7PHP
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50295211 (2-phenylpyrazolo[1,5-a]quinazolin-5(4H)-one | CHEM...) Show SMILES O=c1[nH]c2cc(nn2c2ccccc12)-c1ccccc1 Show InChI InChI=1S/C16H11N3O/c20-16-12-8-4-5-9-14(12)19-15(17-16)10-13(18-19)11-6-2-1-3-7-11/h1-10H,(H,17,20)	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
IRBM - Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of PARP1 by scintillation proximity assay				Bioorg Med Chem Lett 19: 4196-200 (2009) Article DOI: 10.1016/j.bmcl.2009.05.113 BindingDB Entry DOI: 10.7270/Q2MG7PHP
					More data for this Ligand-Target Pair

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