Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM50220883'   

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))	BDBM50220883 (8-chloro-2-(3-(4-(4-fluorophenyl)piperazin-1-yl)cy...) Show SMILES Fc1ccc(cc1)N1CCN(CC1)C1CCC(=C1)c1nc2c(Cl)cccc2c(=O)[nH]1 |c:18| Show InChI InChI=1S/C23H22ClFN4O/c24-20-3-1-2-19-21(20)26-22(27-23(19)30)15-4-7-18(14-15)29-12-10-28(11-13-29)17-8-5-16(25)6-9-17/h1-3,5-6,8-9,14,18H,4,7,10-13H2,(H,26,27,30)	PDB MMDB UniProtKB/SwissProt B.MOAD 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
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of human PARP1				Bioorg Med Chem Lett 17: 5577-81 (2007) Article DOI: 10.1016/j.bmcl.2007.07.091 BindingDB Entry DOI: 10.7270/Q2Q23ZZ3
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