Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM50151028'   

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))	BDBM50151028 (2-[3-(4-Phenyl-cyclohex-3-enyl)-propyl]-3H-quinazo...) Show SMILES O=c1[nH]c(CCCC2CCC(=CC2)c2ccccc2)nc2ccccc12 |c:10| Show InChI InChI=1S/C23H24N2O/c26-23-20-10-4-5-11-21(20)24-22(25-23)12-6-7-17-13-15-19(16-14-17)18-8-2-1-3-9-18/h1-5,8-11,15,17H,6-7,12-14,16H2,(H,24,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory concentration against human recombinant Poly (ADP-ribose) polymerase 1				J Med Chem 47: 4151-4 (2004) Article DOI: 10.1021/jm0499256 BindingDB Entry DOI: 10.7270/Q21G0KQ6
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