Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM50360934'   

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))	BDBM50360934 (CHEMBL1935265) Show SMILES O=C(CCC(=O)c1ccc2[nH]c3c4CCCc4c4C(=O)NC(=O)c4c3c2c1)N1CCCCC1 Show InChI InChI=1S/C26H25N3O4/c30-19(9-10-20(31)29-11-2-1-3-12-29)14-7-8-18-17(13-14)21-23-22(25(32)28-26(23)33)15-5-4-6-16(15)24(21)27-18/h7-8,13,27H,1-6,9-12H2,(H,28,32,33)	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
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human PARP1 by in vitro assay				Bioorg Med Chem Lett 22: 222-4 (2011) Article DOI: 10.1016/j.bmcl.2011.11.032 BindingDB Entry DOI: 10.7270/Q2X92BQD
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