Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nitric oxide synthase, inducible' and Ligand = 'BDBM50330863'   

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 (Mus musculus (mouse))	BDBM50330863 (CHEMBL1278131 | trans rac-4-methyl-6-((4-(3-phenyl...) Show SMILES Cc1cc(N)nc(C[C@H]2CNC[C@@H]2NCCCc2ccccc2)c1 |r| Show InChI InChI=1S/C20H28N4/c1-15-10-18(24-20(21)11-15)12-17-13-22-14-19(17)23-9-5-8-16-6-3-2-4-7-16/h2-4,6-7,10-11,17,19,22-23H,5,8-9,12-14H2,1H3,(H2,21,24)/t17-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.33E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of mouse recombinant iNOS				J Med Chem 53: 7804-24 (2010) Article DOI: 10.1021/jm100947x BindingDB Entry DOI: 10.7270/Q2NC61FT
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