Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM50306200'   

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))	BDBM50306200 (2-(4-(2-(pyrrolidin-1-yl)acetamido)phenyl)-2H-inda...) Show SMILES NC(=O)c1cccc2cn(nc12)-c1ccc(NC(=O)CN2CCCC2)cc1 Show InChI InChI=1S/C20H21N5O2/c21-20(27)17-5-3-4-14-12-25(23-19(14)17)16-8-6-15(7-9-16)22-18(26)13-24-10-1-2-11-24/h3-9,12H,1-2,10-11,13H2,(H2,21,27)(H,22,26)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
IRBM-Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of human PARP1 after 3 hrs using [3H]NAD+ by scintillation proximity assay				Bioorg Med Chem Lett 20: 488-92 (2010) Article DOI: 10.1016/j.bmcl.2009.11.127 BindingDB Entry DOI: 10.7270/Q2W37WFZ
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