Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM50251618'   

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))	BDBM50251618 (2-(2-amino-2,3-dihydro-1H-inden-2-yl)-1H-benzo[d]i...) Show SMILES NC(=O)c1cccc2[nH]c(nc12)C1(N)Cc2ccccc2C1 Show InChI InChI=1S/C17H16N4O/c18-15(22)12-6-3-7-13-14(12)21-16(20-13)17(19)8-10-4-1-2-5-11(10)9-17/h1-7H,8-9,19H2,(H2,18,22)(H,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of PARP1 (unknown origin)				Bioorg Med Chem Lett 18: 3955-8 (2008) Article DOI: 10.1016/j.bmcl.2008.06.023 BindingDB Entry DOI: 10.7270/Q24F1QJK
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