Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nitric oxide synthase, inducible' and Ligand = 'BDBM50205970'   

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))	BDBM50205970 (1-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]-N-[(3-metho...) Show SMILES COc1cccc(CNC(=O)CC2CCCCN2c2ccnc(n2)-n2ccnc2)c1 Show InChI InChI=1S/C22H26N6O2/c1-30-19-7-4-5-17(13-19)15-25-21(29)14-18-6-2-3-11-28(18)20-8-9-24-22(26-20)27-12-10-23-16-27/h4-5,7-10,12-13,16,18H,2-3,6,11,14-15H2,1H3,(H,25,29)	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	3.70	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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