Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM50120251'   

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))	BDBM50120251 (CHEMBL108702 | N-[2-(3'-Amino-biphenyl-4-yl)-2-oxo...) Show SMILES Nc1cccc(c1)-c1ccc(cc1)C(=O)CNC(=O)CCn1c2CCSCc2c(=O)[nH]c1=O Show InChI InChI=1S/C24H24N4O4S/c25-18-3-1-2-17(12-18)15-4-6-16(7-5-15)21(29)13-26-22(30)8-10-28-20-9-11-33-14-19(20)23(31)27-24(28)32/h1-7,12H,8-11,13-14,25H2,(H,26,30)(H,27,31,32)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant PARP-1				Bioorg Med Chem Lett 12: 3187-90 (2002) BindingDB Entry DOI: 10.7270/Q2VX0FTT
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50120251 (CHEMBL108702 | N-[2-(3'-Amino-biphenyl-4-yl)-2-oxo...) Show SMILES Nc1cccc(c1)-c1ccc(cc1)C(=O)CNC(=O)CCn1c2CCSCc2c(=O)[nH]c1=O Show InChI InChI=1S/C24H24N4O4S/c25-18-3-1-2-17(12-18)15-4-6-16(7-5-15)21(29)13-26-22(30)8-10-28-20-9-11-33-14-19(20)23(31)27-24(28)32/h1-7,12H,8-11,13-14,25H2,(H,26,30)(H,27,31,32)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	70	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Concentration required to inhibit human recombinant PARP-1 was determined using cell protection assay				Bioorg Med Chem Lett 12: 3187-90 (2002) BindingDB Entry DOI: 10.7270/Q2VX0FTT
					More data for this Ligand-Target Pair