Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nitric oxide synthase, inducible' and Ligand = 'BDBM50205936'   

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))	BDBM50205936 (CHEMBL374552 | N-[(1,3-benzodioxol-5-yl)methyl]-1-...) Show SMILES O=C(CC1CCCCN1c1cc(ncn1)-n1ccnc1)NCc1ccc2OCOc2c1 Show InChI InChI=1S/C22H24N6O3/c29-22(24-12-16-4-5-18-19(9-16)31-15-30-18)10-17-3-1-2-7-28(17)21-11-20(25-13-26-21)27-8-6-23-14-27/h4-6,8-9,11,13-14,17H,1-3,7,10,12,15H2,(H,24,29)	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	10	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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