Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nitric oxide synthase, inducible' and Ligand = 'BDBM50115130'   

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
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50115130 (1-Benzyl-3-(2-isobutyrylamino-4-oxo-6,7-diphenyl-4...) Show SMILES CC(C)C(=O)Nc1nc2NC(C(N(C(=O)c3ccc[n+](Cc4ccccc4)c3)c2c(=O)[nH]1)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C35H32N6O3/c1-23(2)32(42)38-35-37-31-30(33(43)39-35)41(34(44)27-19-12-20-40(22-27)21-24-13-6-3-7-14-24)29(26-17-10-5-11-18-26)28(36-31)25-15-8-4-9-16-25/h3-20,22-23,28-29H,21H2,1-2H3,(H2-,36,37,38,39,42,43)/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.23E+5	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Curated by ChEMBL					Assay Description Inhibitory activity against human Nitric oxide synthase-II with 2 uM H4Bip for 30 min				J Med Chem 48: 4783-92 (2005) Article DOI: 10.1021/jm050007x BindingDB Entry DOI: 10.7270/Q28W3CTH
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