Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nitric oxide synthase, inducible' and Ligand = 'BDBM50356494'   

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))	BDBM50356494 (CHEMBL1911992) Show SMILES NC(=O)CN(CCCNCc1ccc2OCOc2c1)c1nc(ns1)-n1ccnc1 Show InChI InChI=1S/C18H21N7O3S/c19-16(26)10-24(18-22-17(23-29-18)25-7-5-21-11-25)6-1-4-20-9-13-2-3-14-15(8-13)28-12-27-14/h2-3,5,7-8,11,20H,1,4,6,9-10,12H2,(H2,19,26)	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	81	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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