Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM50309245'   

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))	BDBM50309245 (6-(4-fluoro-3-(4-(pyrrolidine-3-carbonyl)piperazin...) Show SMILES Cc1c(Cc2ccc(F)c(c2)C(=O)N2CCN(CC2)C(=O)C2CCNC2)n[nH]c(=O)c1C Show InChI InChI=1S/C23H28FN5O3/c1-14-15(2)21(30)27-26-20(14)12-16-3-4-19(24)18(11-16)23(32)29-9-7-28(8-10-29)22(31)17-5-6-25-13-17/h3-4,11,17,25H,5-10,12-13H2,1-2H3,(H,27,30)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of PARP1				Bioorg Med Chem Lett 20: 1100-5 (2010) Article DOI: 10.1016/j.bmcl.2009.11.087 BindingDB Entry DOI: 10.7270/Q2Z89CJ6
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