Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM50093357'   

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))	BDBM50093357 (4-Carbamoyl-2-(4-methoxy-phenyl)-benzoimidazole-1-...) Show SMILES COc1ccc(cc1)-c1nc2c(cccc2n1C(=O)OCc1ccccc1)C(N)=O Show InChI InChI=1S/C23H19N3O4/c1-29-17-12-10-16(11-13-17)22-25-20-18(21(24)27)8-5-9-19(20)26(22)23(28)30-14-15-6-3-2-4-7-15/h2-13H,14H2,1H3,(H2,24,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	530	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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