Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nitric oxide synthase, inducible' and Ligand = 'BDBM50356477'   

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))	BDBM50356477 (CHEMBL1911999) Show SMILES C(CNCc1ccc2OCOc2c1)CN(Cc1nccs1)c1nc(ns1)-n1ccnc1 Show InChI InChI=1S/C20H21N7O2S2/c1(4-21-11-15-2-3-16-17(10-15)29-14-28-16)7-26(12-18-23-6-9-30-18)20-24-19(25-31-20)27-8-5-22-13-27/h2-3,5-6,8-10,13,21H,1,4,7,11-12,14H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	6	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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