Compile Data Set for Download or QSAR

Found 48 hits Enz. Inhib. hit(s) with all data for entry = 50043760   

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))	BDBM50445826 (CHEMBL3105402) Show SMILES O=C(CCc1nc2ccccc2c(=O)[nH]1)N1CCN(CC1)C(=O)c1cccs1 Show InChI InChI=1S/C20H20N4O3S/c25-18(8-7-17-21-15-5-2-1-4-14(15)19(26)22-17)23-9-11-24(12-10-23)20(27)16-6-3-13-28-16/h1-6,13H,7-12H2,(H,21,22,26)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.80	n/a	n/a	n/a	n/a	n/a	n/a
R&D Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. Curated by ChEMBL					Assay Description Inhibition of GST-tagged recombinant human PARP-1 expressed in Escherichia coli after 30 mins by fluorescence-based assay				Bioorg Med Chem Lett 24: 462-6 (2014) Article DOI: 10.1016/j.bmcl.2013.12.048 BindingDB Entry DOI: 10.7270/Q26H4JV0
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27135 (2-[(2R)-2-methylpyrrolidin-2-yl]-1H-1,3-benzodiazo...) Show SMILES C[C@@]1(CCCN1)c1nc2cccc(C(N)=O)c2[nH]1 |r| Show InChI InChI=1S/C13H16N4O/c1-13(6-3-7-15-13)12-16-9-5-2-4-8(11(14)18)10(9)17-12/h2,4-5,15H,3,6-7H2,1H3,(H2,14,18)(H,16,17)/t13-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
R&D Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. Curated by ChEMBL					Assay Description Inhibition of GST-tagged recombinant human PARP-1 expressed in Escherichia coli after 30 mins by fluorescence-based assay				Bioorg Med Chem Lett 24: 462-6 (2014) Article DOI: 10.1016/j.bmcl.2013.12.048 BindingDB Entry DOI: 10.7270/Q26H4JV0
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	10	n/a	n/a	n/a	n/a	n/a	n/a
R&D Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. Curated by ChEMBL					Assay Description Inhibition of GST-tagged recombinant human PARP-1 expressed in Escherichia coli after 30 mins by fluorescence-based assay				Bioorg Med Chem Lett 24: 462-6 (2014) Article DOI: 10.1016/j.bmcl.2013.12.048 BindingDB Entry DOI: 10.7270/Q26H4JV0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50445864 (CHEMBL3105398) Show SMILES O=C(CCc1nc2ccccc2c(=O)[nH]1)N1CCN(CC1)C(=O)c1ccco1 Show InChI InChI=1S/C20H20N4O4/c25-18(8-7-17-21-15-5-2-1-4-14(15)19(26)22-17)23-9-11-24(12-10-23)20(27)16-6-3-13-28-16/h1-6,13H,7-12H2,(H,21,22,26)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
R&D Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. Curated by ChEMBL					Assay Description Inhibition of GST-tagged recombinant human PARP-1 expressed in Escherichia coli after 30 mins by fluorescence-based assay				Bioorg Med Chem Lett 24: 462-6 (2014) Article DOI: 10.1016/j.bmcl.2013.12.048 BindingDB Entry DOI: 10.7270/Q26H4JV0
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50445825 (CHEMBL3105403) Show SMILES O=C(CCc1nc2ccccc2c(=O)[nH]1)N1CCN(CC1)C(=O)c1ccc[nH]1 Show InChI InChI=1S/C20H21N5O3/c26-18(8-7-17-22-15-5-2-1-4-14(15)19(27)23-17)24-10-12-25(13-11-24)20(28)16-6-3-9-21-16/h1-6,9,21H,7-8,10-13H2,(H,22,23,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
R&D Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. Curated by ChEMBL					Assay Description Inhibition of GST-tagged recombinant human PARP-1 expressed in Escherichia coli after 30 mins by fluorescence-based assay				Bioorg Med Chem Lett 24: 462-6 (2014) Article DOI: 10.1016/j.bmcl.2013.12.048 BindingDB Entry DOI: 10.7270/Q26H4JV0
					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	30	n/a	n/a	n/a	n/a	n/a	n/a
R&D Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. Curated by ChEMBL					Assay Description Inhibition of GST-tagged recombinant human PARP-1 expressed in Escherichia coli after 30 mins by fluorescence-based assay				Bioorg Med Chem Lett 24: 462-6 (2014) Article DOI: 10.1016/j.bmcl.2013.12.048 BindingDB Entry DOI: 10.7270/Q26H4JV0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50445859 (CHEMBL3105407) Show SMILES O=C(CCc1nc2ccccc2c(=O)[nH]1)N1CCN(CC1)C(=O)C1CCCNC1 Show InChI InChI=1S/C21H27N5O3/c27-19(8-7-18-23-17-6-2-1-5-16(17)20(28)24-18)25-10-12-26(13-11-25)21(29)15-4-3-9-22-14-15/h1-2,5-6,15,22H,3-4,7-14H2,(H,23,24,28)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
R&D Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. Curated by ChEMBL					Assay Description Inhibition of GST-tagged recombinant human PARP-1 expressed in Escherichia coli after 30 mins by fluorescence-based assay				Bioorg Med Chem Lett 24: 462-6 (2014) Article DOI: 10.1016/j.bmcl.2013.12.048 BindingDB Entry DOI: 10.7270/Q26H4JV0
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50445853 (CHEMBL1544030) Show SMILES NC(=O)c1ccccc1OCC(=O)N1CCc2ccccc2C1 Show InChI InChI=1S/C18H18N2O3/c19-18(22)15-7-3-4-8-16(15)23-12-17(21)20-10-9-13-5-1-2-6-14(13)11-20/h1-8H,9-12H2,(H2,19,22)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
R&D Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. Curated by ChEMBL					Assay Description Inhibition of GST-tagged recombinant human PARP-1 expressed in Escherichia coli after 30 mins by fluorescence-based assay				Bioorg Med Chem Lett 24: 462-6 (2014) Article DOI: 10.1016/j.bmcl.2013.12.048 BindingDB Entry DOI: 10.7270/Q26H4JV0
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50445854 (CHEMBL3105410) Show SMILES O=C(Cc1n[nH]c(=O)c2ccccc12)NCc1ccc(nc1)N1CCOCC1 Show InChI InChI=1S/C20H21N5O3/c26-19(11-17-15-3-1-2-4-16(15)20(27)24-23-17)22-13-14-5-6-18(21-12-14)25-7-9-28-10-8-25/h1-6,12H,7-11,13H2,(H,22,26)(H,24,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
R&D Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. Curated by ChEMBL					Assay Description Inhibition of GST-tagged recombinant human PARP-1 expressed in Escherichia coli after 30 mins by fluorescence-based assay				Bioorg Med Chem Lett 24: 462-6 (2014) Article DOI: 10.1016/j.bmcl.2013.12.048 BindingDB Entry DOI: 10.7270/Q26H4JV0
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50445824 (CHEMBL3105405) Show SMILES Fc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)CCc1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C22H21FN4O3/c23-16-7-5-15(6-8-16)22(30)27-13-11-26(12-14-27)20(28)10-9-19-24-18-4-2-1-3-17(18)21(29)25-19/h1-8H,9-14H2,(H,24,25,29)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
R&D Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. Curated by ChEMBL					Assay Description Inhibition of GST-tagged recombinant human PARP-1 expressed in Escherichia coli after 30 mins by fluorescence-based assay				Bioorg Med Chem Lett 24: 462-6 (2014) Article DOI: 10.1016/j.bmcl.2013.12.048 BindingDB Entry DOI: 10.7270/Q26H4JV0
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50445827 (CHEMBL3105399) Show SMILES O=C(CCc1nc2ccccc2c(=O)[nH]1)N1CCN(CC1)C(=O)C1CC1 Show InChI InChI=1S/C19H22N4O3/c24-17(22-9-11-23(12-10-22)19(26)13-5-6-13)8-7-16-20-15-4-2-1-3-14(15)18(25)21-16/h1-4,13H,5-12H2,(H,20,21,25)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
R&D Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. Curated by ChEMBL					Assay Description Inhibition of GST-tagged recombinant human PARP-1 expressed in Escherichia coli after 30 mins by fluorescence-based assay				Bioorg Med Chem Lett 24: 462-6 (2014) Article DOI: 10.1016/j.bmcl.2013.12.048 BindingDB Entry DOI: 10.7270/Q26H4JV0
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50445856 (CHEMBL3102884) Show SMILES CN(C)CC(C)(C)CNC=C1C(=O)NC(=O)c2ccccc12 |w:9.8| Show InChI InChI=1S/C17H23N3O2/c1-17(2,11-20(3)4)10-18-9-14-12-7-5-6-8-13(12)15(21)19-16(14)22/h5-9,18H,10-11H2,1-4H3,(H,19,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	87	n/a	n/a	n/a	n/a	n/a	n/a
R&D Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. Curated by ChEMBL					Assay Description Inhibition of GST-tagged recombinant human PARP-1 expressed in Escherichia coli after 30 mins by fluorescence-based assay				Bioorg Med Chem Lett 24: 462-6 (2014) Article DOI: 10.1016/j.bmcl.2013.12.048 BindingDB Entry DOI: 10.7270/Q26H4JV0
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50445855 (CHEMBL3105409) Show SMILES CC(=O)c1ccc(NC(=O)CCn2c3ccccc3c(=O)[nH]c2=O)cc1 Show InChI InChI=1S/C19H17N3O4/c1-12(23)13-6-8-14(9-7-13)20-17(24)10-11-22-16-5-3-2-4-15(16)18(25)21-19(22)26/h2-9H,10-11H2,1H3,(H,20,24)(H,21,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	88	n/a	n/a	n/a	n/a	n/a	n/a
R&D Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. Curated by ChEMBL					Assay Description Inhibition of GST-tagged recombinant human PARP-1 expressed in Escherichia coli after 30 mins by fluorescence-based assay				Bioorg Med Chem Lett 24: 462-6 (2014) Article DOI: 10.1016/j.bmcl.2013.12.048 BindingDB Entry DOI: 10.7270/Q26H4JV0
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50445863 (CHEMBL3105400) Show SMILES O=C(CCc1nc2ccccc2c(=O)[nH]1)N1CCN(CC1)C(=O)C1CCCC1 Show InChI InChI=1S/C21H26N4O3/c26-19(10-9-18-22-17-8-4-3-7-16(17)20(27)23-18)24-11-13-25(14-12-24)21(28)15-5-1-2-6-15/h3-4,7-8,15H,1-2,5-6,9-14H2,(H,22,23,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
R&D Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. Curated by ChEMBL					Assay Description Inhibition of GST-tagged recombinant human PARP-1 expressed in Escherichia coli after 30 mins by fluorescence-based assay				Bioorg Med Chem Lett 24: 462-6 (2014) Article DOI: 10.1016/j.bmcl.2013.12.048 BindingDB Entry DOI: 10.7270/Q26H4JV0
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50445862 (CHEMBL3105401) Show SMILES O=C(CCc1nc2ccccc2c(=O)[nH]1)N1CCN(CC1)C(=O)C1CCCO1 Show InChI InChI=1S/C20H24N4O4/c25-18(8-7-17-21-15-5-2-1-4-14(15)19(26)22-17)23-9-11-24(12-10-23)20(27)16-6-3-13-28-16/h1-2,4-5,16H,3,6-13H2,(H,21,22,26)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
R&D Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. Curated by ChEMBL					Assay Description Inhibition of GST-tagged recombinant human PARP-1 expressed in Escherichia coli after 30 mins by fluorescence-based assay				Bioorg Med Chem Lett 24: 462-6 (2014) Article DOI: 10.1016/j.bmcl.2013.12.048 BindingDB Entry DOI: 10.7270/Q26H4JV0
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50445861 (CHEMBL3105404) Show SMILES Cc1c(oc2ccccc12)C(=O)N1CCN(CC1)C(=O)CCc1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C25H24N4O4/c1-16-17-6-3-5-9-20(17)33-23(16)25(32)29-14-12-28(13-15-29)22(30)11-10-21-26-19-8-4-2-7-18(19)24(31)27-21/h2-9H,10-15H2,1H3,(H,26,27,31)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
R&D Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. Curated by ChEMBL					Assay Description Inhibition of GST-tagged recombinant human PARP-1 expressed in Escherichia coli after 30 mins by fluorescence-based assay				Bioorg Med Chem Lett 24: 462-6 (2014) Article DOI: 10.1016/j.bmcl.2013.12.048 BindingDB Entry DOI: 10.7270/Q26H4JV0
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50445845 (CHEMBL3105416) Show SMILES NC(=O)c1ccc(NC(=O)CCn2c3ccccc3c(=O)[nH]c2=O)cc1 Show InChI InChI=1S/C18H16N4O4/c19-16(24)11-5-7-12(8-6-11)20-15(23)9-10-22-14-4-2-1-3-13(14)17(25)21-18(22)26/h1-8H,9-10H2,(H2,19,24)(H,20,23)(H,21,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
R&D Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. Curated by ChEMBL					Assay Description Inhibition of GST-tagged recombinant human PARP-1 expressed in Escherichia coli after 30 mins by fluorescence-based assay				Bioorg Med Chem Lett 24: 462-6 (2014) Article DOI: 10.1016/j.bmcl.2013.12.048 BindingDB Entry DOI: 10.7270/Q26H4JV0
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50445850 (CHEMBL3105413) Show SMILES O=C(CCc1nc2ccccc2c(=O)[nH]1)N1CCNC(=O)C1 Show InChI InChI=1S/C15H16N4O3/c20-13-9-19(8-7-16-13)14(21)6-5-12-17-11-4-2-1-3-10(11)15(22)18-12/h1-4H,5-9H2,(H,16,20)(H,17,18,22)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
R&D Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. Curated by ChEMBL					Assay Description Inhibition of GST-tagged recombinant human PARP-1 expressed in Escherichia coli after 30 mins by fluorescence-based assay				Bioorg Med Chem Lett 24: 462-6 (2014) Article DOI: 10.1016/j.bmcl.2013.12.048 BindingDB Entry DOI: 10.7270/Q26H4JV0
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50445858 (CHEMBL3105408) Show SMILES C=CCN1CCCC(C1)C(=O)N1CCN(CC1)C(=O)CCc1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C24H31N5O3/c1-2-11-27-12-5-6-18(17-27)24(32)29-15-13-28(14-16-29)22(30)10-9-21-25-20-8-4-3-7-19(20)23(31)26-21/h2-4,7-8,18H,1,5-6,9-17H2,(H,25,26,31)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
R&D Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. Curated by ChEMBL					Assay Description Inhibition of GST-tagged recombinant human PARP-1 expressed in Escherichia coli after 30 mins by fluorescence-based assay				Bioorg Med Chem Lett 24: 462-6 (2014) Article DOI: 10.1016/j.bmcl.2013.12.048 BindingDB Entry DOI: 10.7270/Q26H4JV0
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50445839 (CHEMBL3105422) Show SMILES O=C(N1CCN(CC1)\C=C\c1ccccc1)c1n[nH]c(=O)c2ccccc12 Show InChI InChI=1S/C21H20N4O2/c26-20-18-9-5-4-8-17(18)19(22-23-20)21(27)25-14-12-24(13-15-25)11-10-16-6-2-1-3-7-16/h1-11H,12-15H2,(H,23,26)/b11-10+	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
R&D Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. Curated by ChEMBL					Assay Description Inhibition of GST-tagged recombinant human PARP-1 expressed in Escherichia coli after 30 mins by fluorescence-based assay				Bioorg Med Chem Lett 24: 462-6 (2014) Article DOI: 10.1016/j.bmcl.2013.12.048 BindingDB Entry DOI: 10.7270/Q26H4JV0
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50445849 (CHEMBL1508664) Show SMILES NC(=O)C1CCN(CC1)C(=O)CCc1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C17H20N4O3/c18-16(23)11-7-9-21(10-8-11)15(22)6-5-14-19-13-4-2-1-3-12(13)17(24)20-14/h1-4,11H,5-10H2,(H2,18,23)(H,19,20,24)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
R&D Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. Curated by ChEMBL					Assay Description Inhibition of GST-tagged recombinant human PARP-1 expressed in Escherichia coli after 30 mins by fluorescence-based assay				Bioorg Med Chem Lett 24: 462-6 (2014) Article DOI: 10.1016/j.bmcl.2013.12.048 BindingDB Entry DOI: 10.7270/Q26H4JV0
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50445836 (CHEMBL3105424) Show SMILES O=C(Cc1n[nH]c(=O)c2ccccc12)NCCc1ccc2OCCOc2c1 Show InChI InChI=1S/C20H19N3O4/c24-19(12-16-14-3-1-2-4-15(14)20(25)23-22-16)21-8-7-13-5-6-17-18(11-13)27-10-9-26-17/h1-6,11H,7-10,12H2,(H,21,24)(H,23,25)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
R&D Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. Curated by ChEMBL					Assay Description Inhibition of GST-tagged recombinant human PARP-1 expressed in Escherichia coli after 30 mins by fluorescence-based assay				Bioorg Med Chem Lett 24: 462-6 (2014) Article DOI: 10.1016/j.bmcl.2013.12.048 BindingDB Entry DOI: 10.7270/Q26H4JV0
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50445828 (CHEMBL3105432) Show SMILES CC(=O)c1ccc(N2CCN(CC2)C(=O)COc2ccccc2C(N)=O)c(F)c1 Show InChI InChI=1S/C21H22FN3O4/c1-14(26)15-6-7-18(17(22)12-15)24-8-10-25(11-9-24)20(27)13-29-19-5-3-2-4-16(19)21(23)28/h2-7,12H,8-11,13H2,1H3,(H2,23,28)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
R&D Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. Curated by ChEMBL					Assay Description Inhibition of GST-tagged recombinant human PARP-1 expressed in Escherichia coli after 30 mins by fluorescence-based assay				Bioorg Med Chem Lett 24: 462-6 (2014) Article DOI: 10.1016/j.bmcl.2013.12.048 BindingDB Entry DOI: 10.7270/Q26H4JV0
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50445860 (CHEMBL3105406) Show SMILES C=CCOC(=O)N1CCCC(C1)C(=O)N1CCN(CC1)C(=O)CCc1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C25H31N5O5/c1-2-16-35-25(34)30-11-5-6-18(17-30)24(33)29-14-12-28(13-15-29)22(31)10-9-21-26-20-8-4-3-7-19(20)23(32)27-21/h2-4,7-8,18H,1,5-6,9-17H2,(H,26,27,32)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
R&D Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. Curated by ChEMBL					Assay Description Inhibition of GST-tagged recombinant human PARP-1 expressed in Escherichia coli after 30 mins by fluorescence-based assay				Bioorg Med Chem Lett 24: 462-6 (2014) Article DOI: 10.1016/j.bmcl.2013.12.048 BindingDB Entry DOI: 10.7270/Q26H4JV0
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50445841 (CHEMBL3105420) Show SMILES Cc1ccc(NC(=O)CCn2c3ccccc3c(=O)[nH]c2=O)c(O)c1 Show InChI InChI=1S/C18H17N3O4/c1-11-6-7-13(15(22)10-11)19-16(23)8-9-21-14-5-3-2-4-12(14)17(24)20-18(21)25/h2-7,10,22H,8-9H2,1H3,(H,19,23)(H,20,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
R&D Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. Curated by ChEMBL					Assay Description Inhibition of GST-tagged recombinant human PARP-1 expressed in Escherichia coli after 30 mins by fluorescence-based assay				Bioorg Med Chem Lett 24: 462-6 (2014) Article DOI: 10.1016/j.bmcl.2013.12.048 BindingDB Entry DOI: 10.7270/Q26H4JV0
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50445843 (CHEMBL3105418) Show SMILES NS(=O)(=O)Nc1ccc(NC(=O)CCn2c3ccccc3c(=O)[nH]c2=O)cc1 Show InChI InChI=1S/C17H17N5O5S/c18-28(26,27)21-12-7-5-11(6-8-12)19-15(23)9-10-22-14-4-2-1-3-13(14)16(24)20-17(22)25/h1-8,21H,9-10H2,(H,19,23)(H2,18,26,27)(H,20,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
R&D Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. Curated by ChEMBL					Assay Description Inhibition of GST-tagged recombinant human PARP-1 expressed in Escherichia coli after 30 mins by fluorescence-based assay				Bioorg Med Chem Lett 24: 462-6 (2014) Article DOI: 10.1016/j.bmcl.2013.12.048 BindingDB Entry DOI: 10.7270/Q26H4JV0
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50445846 (CHEMBL3105415) Show SMILES O=C(CSc1nc2ccccc2c(=O)[nH]1)N1CC(=O)Nc2ccccc12 Show InChI InChI=1S/C18H14N4O3S/c23-15-9-22(14-8-4-3-7-13(14)19-15)16(24)10-26-18-20-12-6-2-1-5-11(12)17(25)21-18/h1-8H,9-10H2,(H,19,23)(H,20,21,25)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/a
R&D Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. Curated by ChEMBL					Assay Description Inhibition of GST-tagged recombinant human PARP-1 expressed in Escherichia coli after 30 mins by fluorescence-based assay				Bioorg Med Chem Lett 24: 462-6 (2014) Article DOI: 10.1016/j.bmcl.2013.12.048 BindingDB Entry DOI: 10.7270/Q26H4JV0
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50445833 (CHEMBL3105427) Show SMILES CCN(CC(=O)Cc1c(F)cccc1F)C(=O)Cc1n[nH]c(=O)c2ccccc12 Show InChI InChI=1S/C21H19F2N3O3/c1-2-26(12-13(27)10-16-17(22)8-5-9-18(16)23)20(28)11-19-14-6-3-4-7-15(14)21(29)25-24-19/h3-9H,2,10-12H2,1H3,(H,25,29)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
R&D Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. Curated by ChEMBL					Assay Description Inhibition of GST-tagged recombinant human PARP-1 expressed in Escherichia coli after 30 mins by fluorescence-based assay				Bioorg Med Chem Lett 24: 462-6 (2014) Article DOI: 10.1016/j.bmcl.2013.12.048 BindingDB Entry DOI: 10.7270/Q26H4JV0
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50445835 (CHEMBL3105425) Show SMILES O=C(Cc1n[nH]c(=O)c2ccccc12)NCc1ccc(cc1)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C21H22N4O5S/c26-20(13-19-17-3-1-2-4-18(17)21(27)24-23-19)22-14-15-5-7-16(8-6-15)31(28,29)25-9-11-30-12-10-25/h1-8H,9-14H2,(H,22,26)(H,24,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
R&D Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. Curated by ChEMBL					Assay Description Inhibition of GST-tagged recombinant human PARP-1 expressed in Escherichia coli after 30 mins by fluorescence-based assay				Bioorg Med Chem Lett 24: 462-6 (2014) Article DOI: 10.1016/j.bmcl.2013.12.048 BindingDB Entry DOI: 10.7270/Q26H4JV0
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50445838 (CHEMBL552501) Show SMILES CC(C)NS(=O)(=O)c1ccc(NC(=O)Cc2n[nH]c(=O)c3ccccc23)cc1 Show InChI InChI=1S/C19H20N4O4S/c1-12(2)23-28(26,27)14-9-7-13(8-10-14)20-18(24)11-17-15-5-3-4-6-16(15)19(25)22-21-17/h3-10,12,23H,11H2,1-2H3,(H,20,24)(H,22,25)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	690	n/a	n/a	n/a	n/a	n/a	n/a
R&D Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. Curated by ChEMBL					Assay Description Inhibition of GST-tagged recombinant human PARP-1 expressed in Escherichia coli after 30 mins by fluorescence-based assay				Bioorg Med Chem Lett 24: 462-6 (2014) Article DOI: 10.1016/j.bmcl.2013.12.048 BindingDB Entry DOI: 10.7270/Q26H4JV0
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50445844 (CHEMBL3105417) Show SMILES CC(=O)Nc1ccc(NC(=O)CCn2c3ccccc3c(=O)[nH]c2=O)cc1 Show InChI InChI=1S/C19H18N4O4/c1-12(24)20-13-6-8-14(9-7-13)21-17(25)10-11-23-16-5-3-2-4-15(16)18(26)22-19(23)27/h2-9H,10-11H2,1H3,(H,20,24)(H,21,25)(H,22,26,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	760	n/a	n/a	n/a	n/a	n/a	n/a
R&D Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. Curated by ChEMBL					Assay Description Inhibition of GST-tagged recombinant human PARP-1 expressed in Escherichia coli after 30 mins by fluorescence-based assay				Bioorg Med Chem Lett 24: 462-6 (2014) Article DOI: 10.1016/j.bmcl.2013.12.048 BindingDB Entry DOI: 10.7270/Q26H4JV0
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50445831 (CHEMBL3105429) Show SMILES NC(=O)c1ccc(COc2ccccc2C(N)=O)cc1 Show InChI InChI=1S/C15H14N2O3/c16-14(18)11-7-5-10(6-8-11)9-20-13-4-2-1-3-12(13)15(17)19/h1-8H,9H2,(H2,16,18)(H2,17,19)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	820	n/a	n/a	n/a	n/a	n/a	n/a
R&D Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. Curated by ChEMBL					Assay Description Inhibition of GST-tagged recombinant human PARP-1 expressed in Escherichia coli after 30 mins by fluorescence-based assay				Bioorg Med Chem Lett 24: 462-6 (2014) Article DOI: 10.1016/j.bmcl.2013.12.048 BindingDB Entry DOI: 10.7270/Q26H4JV0
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50445830 (CHEMBL3105430) Show SMILES CC(NC(=O)COc1ccccc1C(N)=O)c1ccccc1 Show InChI InChI=1S/C17H18N2O3/c1-12(13-7-3-2-4-8-13)19-16(20)11-22-15-10-6-5-9-14(15)17(18)21/h2-10,12H,11H2,1H3,(H2,18,21)(H,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	820	n/a	n/a	n/a	n/a	n/a	n/a
R&D Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. Curated by ChEMBL					Assay Description Inhibition of GST-tagged recombinant human PARP-1 expressed in Escherichia coli after 30 mins by fluorescence-based assay				Bioorg Med Chem Lett 24: 462-6 (2014) Article DOI: 10.1016/j.bmcl.2013.12.048 BindingDB Entry DOI: 10.7270/Q26H4JV0
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50445848 (CHEMBL1726644) Show SMILES Cc1ccc2N(CCCc2c1)C(=O)CCc1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C21H21N3O2/c1-14-8-9-18-15(13-14)5-4-12-24(18)20(25)11-10-19-22-17-7-3-2-6-16(17)21(26)23-19/h2-3,6-9,13H,4-5,10-12H2,1H3,(H,22,23,26)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.03E+3	n/a	n/a	n/a	n/a	n/a	n/a
R&D Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. Curated by ChEMBL					Assay Description Inhibition of GST-tagged recombinant human PARP-1 expressed in Escherichia coli after 30 mins by fluorescence-based assay				Bioorg Med Chem Lett 24: 462-6 (2014) Article DOI: 10.1016/j.bmcl.2013.12.048 BindingDB Entry DOI: 10.7270/Q26H4JV0
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50445829 (CHEMBL3105431) Show SMILES NC(=O)c1ccccc1OCC(=O)N1CC(=O)Nc2cc(ccc12)C(F)(F)F Show InChI InChI=1S/C18H14F3N3O4/c19-18(20,21)10-5-6-13-12(7-10)23-15(25)8-24(13)16(26)9-28-14-4-2-1-3-11(14)17(22)27/h1-7H,8-9H2,(H2,22,27)(H,23,25)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.06E+3	n/a	n/a	n/a	n/a	n/a	n/a
R&D Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. Curated by ChEMBL					Assay Description Inhibition of GST-tagged recombinant human PARP-1 expressed in Escherichia coli after 30 mins by fluorescence-based assay				Bioorg Med Chem Lett 24: 462-6 (2014) Article DOI: 10.1016/j.bmcl.2013.12.048 BindingDB Entry DOI: 10.7270/Q26H4JV0
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50445834 (CHEMBL3105426) Show SMILES Fc1cccc(NC(=O)CN2CCN(CC2)C(=O)Cc2n[nH]c(=O)c3ccccc23)c1 Show InChI InChI=1S/C22H22FN5O3/c23-15-4-3-5-16(12-15)24-20(29)14-27-8-10-28(11-9-27)21(30)13-19-17-6-1-2-7-18(17)22(31)26-25-19/h1-7,12H,8-11,13-14H2,(H,24,29)(H,26,31)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
R&D Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. Curated by ChEMBL					Assay Description Inhibition of GST-tagged recombinant human PARP-1 expressed in Escherichia coli after 30 mins by fluorescence-based assay				Bioorg Med Chem Lett 24: 462-6 (2014) Article DOI: 10.1016/j.bmcl.2013.12.048 BindingDB Entry DOI: 10.7270/Q26H4JV0
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50445852 (CHEMBL3105411) Show SMILES O=C1NC(=O)c2ccccc2C1=CNc1ccccc1N1CCCCC1 |w:12.14| Show InChI InChI=1S/C21H21N3O2/c25-20-16-9-3-2-8-15(16)17(21(26)23-20)14-22-18-10-4-5-11-19(18)24-12-6-1-7-13-24/h2-5,8-11,14,22H,1,6-7,12-13H2,(H,23,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.21E+3	n/a	n/a	n/a	n/a	n/a	n/a
R&D Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. Curated by ChEMBL					Assay Description Inhibition of GST-tagged recombinant human PARP-1 expressed in Escherichia coli after 30 mins by fluorescence-based assay				Bioorg Med Chem Lett 24: 462-6 (2014) Article DOI: 10.1016/j.bmcl.2013.12.048 BindingDB Entry DOI: 10.7270/Q26H4JV0
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50445840 (CHEMBL3105421) Show SMILES Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)Cn3c4ccccc4c(=O)[nH]c3=O)cc2C)c(C)c1 Show InChI InChI=1S/C25H24N4O5S/c1-15-8-10-20(16(2)12-15)28-35(33,34)22-11-9-18(13-17(22)3)26-23(30)14-29-21-7-5-4-6-19(21)24(31)27-25(29)32/h4-13,28H,14H2,1-3H3,(H,26,30)(H,27,31,32)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.28E+3	n/a	n/a	n/a	n/a	n/a	n/a
R&D Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. Curated by ChEMBL					Assay Description Inhibition of GST-tagged recombinant human PARP-1 expressed in Escherichia coli after 30 mins by fluorescence-based assay				Bioorg Med Chem Lett 24: 462-6 (2014) Article DOI: 10.1016/j.bmcl.2013.12.048 BindingDB Entry DOI: 10.7270/Q26H4JV0
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50445842 (CHEMBL3105419) Show SMILES Fc1ccccc1NC(=O)CCn1c2ccccc2c(=O)[nH]c1=O Show InChI InChI=1S/C17H14FN3O3/c18-12-6-2-3-7-13(12)19-15(22)9-10-21-14-8-4-1-5-11(14)16(23)20-17(21)24/h1-8H,9-10H2,(H,19,22)(H,20,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.52E+3	n/a	n/a	n/a	n/a	n/a	n/a
R&D Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. Curated by ChEMBL					Assay Description Inhibition of GST-tagged recombinant human PARP-1 expressed in Escherichia coli after 30 mins by fluorescence-based assay				Bioorg Med Chem Lett 24: 462-6 (2014) Article DOI: 10.1016/j.bmcl.2013.12.048 BindingDB Entry DOI: 10.7270/Q26H4JV0
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50396747 (CHEMBL2172241) Show SMILES Cc1oc(cc1COc1ccccc1C(N)=O)C(N)=O Show InChI InChI=1S/C14H14N2O4/c1-8-9(6-12(20-8)14(16)18)7-19-11-5-3-2-4-10(11)13(15)17/h2-6H,7H2,1H3,(H2,15,17)(H2,16,18)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.66E+3	n/a	n/a	n/a	n/a	n/a	n/a
R&D Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. Curated by ChEMBL					Assay Description Inhibition of GST-tagged recombinant human PARP-1 expressed in Escherichia coli after 30 mins by fluorescence-based assay				Bioorg Med Chem Lett 24: 462-6 (2014) Article DOI: 10.1016/j.bmcl.2013.12.048 BindingDB Entry DOI: 10.7270/Q26H4JV0
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50445837 (CHEMBL3105423) Show SMILES CC(NC(=O)Cc1n[nH]c(=O)c2ccccc12)c1ccc2CCCCc2c1 Show InChI InChI=1S/C22H23N3O2/c1-14(16-11-10-15-6-2-3-7-17(15)12-16)23-21(26)13-20-18-8-4-5-9-19(18)22(27)25-24-20/h4-5,8-12,14H,2-3,6-7,13H2,1H3,(H,23,26)(H,25,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.86E+3	n/a	n/a	n/a	n/a	n/a	n/a
R&D Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. Curated by ChEMBL					Assay Description Inhibition of GST-tagged recombinant human PARP-1 expressed in Escherichia coli after 30 mins by fluorescence-based assay				Bioorg Med Chem Lett 24: 462-6 (2014) Article DOI: 10.1016/j.bmcl.2013.12.048 BindingDB Entry DOI: 10.7270/Q26H4JV0
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50445832 (CHEMBL3105428) Show SMILES Clc1ccccc1C(CNC(=O)Cc1n[nH]c(=O)c2ccccc12)N1CCCC1 Show InChI InChI=1S/C22H23ClN4O2/c23-18-10-4-3-9-17(18)20(27-11-5-6-12-27)14-24-21(28)13-19-15-7-1-2-8-16(15)22(29)26-25-19/h1-4,7-10,20H,5-6,11-14H2,(H,24,28)(H,26,29)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.96E+3	n/a	n/a	n/a	n/a	n/a	n/a
R&D Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. Curated by ChEMBL					Assay Description Inhibition of GST-tagged recombinant human PARP-1 expressed in Escherichia coli after 30 mins by fluorescence-based assay				Bioorg Med Chem Lett 24: 462-6 (2014) Article DOI: 10.1016/j.bmcl.2013.12.048 BindingDB Entry DOI: 10.7270/Q26H4JV0
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50445851 (CHEMBL3105412) Show SMILES Fc1ccc(\C=C2\C(=O)NC(=O)c3ccccc23)cc1 Show InChI InChI=1S/C16H10FNO2/c17-11-7-5-10(6-8-11)9-14-12-3-1-2-4-13(12)15(19)18-16(14)20/h1-9H,(H,18,19,20)/b14-9+	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.54E+3	n/a	n/a	n/a	n/a	n/a	n/a
R&D Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. Curated by ChEMBL					Assay Description Inhibition of GST-tagged recombinant human PARP-1 expressed in Escherichia coli after 30 mins by fluorescence-based assay				Bioorg Med Chem Lett 24: 462-6 (2014) Article DOI: 10.1016/j.bmcl.2013.12.048 BindingDB Entry DOI: 10.7270/Q26H4JV0
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50445847 (CHEMBL3105414) Show SMILES NC(=O)c1ccc(NC(=O)CCCc2nc3ccccc3c(=O)[nH]2)cc1 Show InChI InChI=1S/C19H18N4O3/c20-18(25)12-8-10-13(11-9-12)21-17(24)7-3-6-16-22-15-5-2-1-4-14(15)19(26)23-16/h1-2,4-5,8-11H,3,6-7H2,(H2,20,25)(H,21,24)(H,22,23,26)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
R&D Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. Curated by ChEMBL					Assay Description Inhibition of GST-tagged recombinant human PARP-1 expressed in Escherichia coli after 30 mins by fluorescence-based assay				Bioorg Med Chem Lett 24: 462-6 (2014) Article DOI: 10.1016/j.bmcl.2013.12.048 BindingDB Entry DOI: 10.7270/Q26H4JV0
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50445827 (CHEMBL3105399) Show SMILES O=C(CCc1nc2ccccc2c(=O)[nH]1)N1CCN(CC1)C(=O)C1CC1 Show InChI InChI=1S/C19H22N4O3/c24-17(22-9-11-23(12-10-22)19(26)13-5-6-13)8-7-16-20-15-4-2-1-3-14(15)18(25)21-16/h1-4,13H,5-12H2,(H,20,21,25)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	707	n/a	n/a	n/a	n/a
R&D Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. Curated by ChEMBL					Assay Description Inhibition of PARP-1-mediated PARylation in H2O2-induced human HeLa cells preincubated for 3 hrs followed by H2O2 addition measured after 5 mins by D...				Bioorg Med Chem Lett 24: 462-6 (2014) Article DOI: 10.1016/j.bmcl.2013.12.048 BindingDB Entry DOI: 10.7270/Q26H4JV0
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50445826 (CHEMBL3105402) Show SMILES O=C(CCc1nc2ccccc2c(=O)[nH]1)N1CCN(CC1)C(=O)c1cccs1 Show InChI InChI=1S/C20H20N4O3S/c25-18(8-7-17-21-15-5-2-1-4-14(15)19(26)22-17)23-9-11-24(12-10-23)20(27)16-6-3-13-28-16/h1-6,13H,7-12H2,(H,21,22,26)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	256	n/a	n/a	n/a	n/a
R&D Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. Curated by ChEMBL					Assay Description Inhibition of PARP-1-mediated PARylation in H2O2-induced human HeLa cells preincubated for 3 hrs followed by H2O2 addition measured after 5 mins by D...				Bioorg Med Chem Lett 24: 462-6 (2014) Article DOI: 10.1016/j.bmcl.2013.12.048 BindingDB Entry DOI: 10.7270/Q26H4JV0
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50445825 (CHEMBL3105403) Show SMILES O=C(CCc1nc2ccccc2c(=O)[nH]1)N1CCN(CC1)C(=O)c1ccc[nH]1 Show InChI InChI=1S/C20H21N5O3/c26-18(8-7-17-22-15-5-2-1-4-14(15)19(27)23-17)24-10-12-25(13-11-24)20(28)16-6-3-9-21-16/h1-6,9,21H,7-8,10-13H2,(H,22,23,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	865	n/a	n/a	n/a	n/a
R&D Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. Curated by ChEMBL					Assay Description Inhibition of PARP-1-mediated PARylation in H2O2-induced human HeLa cells preincubated for 3 hrs followed by H2O2 addition measured after 5 mins by D...				Bioorg Med Chem Lett 24: 462-6 (2014) Article DOI: 10.1016/j.bmcl.2013.12.048 BindingDB Entry DOI: 10.7270/Q26H4JV0
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50445824 (CHEMBL3105405) Show SMILES Fc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)CCc1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C22H21FN4O3/c23-16-7-5-15(6-8-16)22(30)27-13-11-26(12-14-27)20(28)10-9-19-24-18-4-2-1-3-17(18)21(29)25-19/h1-8H,9-14H2,(H,24,25,29)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	467	n/a	n/a	n/a	n/a
R&D Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. Curated by ChEMBL					Assay Description Inhibition of PARP-1-mediated PARylation in H2O2-induced human HeLa cells preincubated for 3 hrs followed by H2O2 addition measured after 5 mins by D...				Bioorg Med Chem Lett 24: 462-6 (2014) Article DOI: 10.1016/j.bmcl.2013.12.048 BindingDB Entry DOI: 10.7270/Q26H4JV0
					More data for this Ligand-Target Pair