Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nitric oxide synthase, inducible' and Ligand = 'BDBM50205918'   

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))	BDBM50205918 (CHEMBL220122 | N-[(1,3-benzodioxol-5-yl)methyl]-4-...) Show SMILES CN1CCN(CC1CC(=O)NCc1ccc2OCOc2c1)c1cc(C)nc(n1)-n1ccnc1 Show InChI InChI=1S/C23H27N7O3/c1-16-9-21(27-23(26-16)30-6-5-24-14-30)29-8-7-28(2)18(13-29)11-22(31)25-12-17-3-4-19-20(10-17)33-15-32-19/h3-6,9-10,14,18H,7-8,11-13,15H2,1-2H3,(H,25,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	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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