Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nitric oxide synthase, inducible' and Ligand = 'BDBM50205940'   

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))	BDBM50205940 (1-[2-(1H-imidazol-1-yl)-4-pyrimidinyl]-N-[2-(4-met...) Show SMILES COc1ccc(CCNC(=O)CC2CCCCN2c2ccnc(n2)-n2ccnc2)cc1 Show InChI InChI=1S/C23H28N6O2/c1-31-20-7-5-18(6-8-20)9-11-25-22(30)16-19-4-2-3-14-29(19)21-10-12-26-23(27-21)28-15-13-24-17-28/h5-8,10,12-13,15,17,19H,2-4,9,11,14,16H2,1H3,(H,25,30)	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	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Inhibition of cytokine-induced iNOS expressed in human A172 cells assessed as inhibition of NO formation				J Med Chem 50: 1146-57 (2007) Article DOI: 10.1021/jm061319i BindingDB Entry DOI: 10.7270/Q2SX6CWJ
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