Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nitric oxide synthase, inducible' and Ligand = 'BDBM50356492'   

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))	BDBM50356492 (CHEMBL1912002) Show SMILES Cn1cnc(CN(CCCNCc2ccc3OCOc3c2)c2nc(ns2)-n2ccnc2)c1 Show InChI InChI=1S/C21H24N8O2S/c1-27-11-17(24-14-27)12-28(21-25-20(26-32-21)29-8-6-23-13-29)7-2-5-22-10-16-3-4-18-19(9-16)31-15-30-18/h3-4,6,8-9,11,13-14,22H,2,5,7,10,12,15H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	71	n/a	n/a	n/a	n/a
Kalypsys Inc. Curated by ChEMBL					Assay Description Inhibition of human iNOS expressed in human HEK293 cells assessed as nitrite accumulation after 18 hrs by 2,3-diaminonapthalene assay				Bioorg Med Chem Lett 21: 6888-94 (2011) Article DOI: 10.1016/j.bmcl.2011.08.112 BindingDB Entry DOI: 10.7270/Q2XK8FXC
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