Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM50093380'   

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))	BDBM50093380 (2-(3-Allyloxy-4-methoxy-phenyl)-1H-benzoimidazole-...) Show SMILES COc1ccc(cc1OCC=C)-c1nc2c(cccc2[nH]1)C(N)=O Show InChI InChI=1S/C18H17N3O3/c1-3-9-24-15-10-11(7-8-14(15)23-2)18-20-13-6-4-5-12(17(19)22)16(13)21-18/h3-8,10H,1,9H2,2H3,(H2,19,22)(H,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University Curated by ChEMBL					Assay Description In vitro inhibition against human full length PARP protein				J Med Chem 43: 4084-97 (2000) BindingDB Entry DOI: 10.7270/Q2MP52HJ
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