Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM50360941'   

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))	BDBM50360941 (CHEMBL1935272) Show SMILES OCCNC(=O)CCC(=O)c1ccc2[nH]c3c4CCCc4c4C(=O)NC(=O)c4c3c2c1 Show InChI InChI=1S/C23H21N3O5/c27-9-8-24-17(29)7-6-16(28)11-4-5-15-14(10-11)18-20-19(22(30)26-23(20)31)12-2-1-3-13(12)21(18)25-15/h4-5,10,25,27H,1-3,6-9H2,(H,24,29)(H,26,30,31)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	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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