Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nitric oxide synthase, inducible' and Ligand = 'BDBM50205955'   

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))	BDBM50205955 (CHEMBL220771 | N-[(1,3-benzodioxol-5-yl)methyl]-4-...) Show SMILES CC(C)C(=O)N1CCN(CC1CC(=O)NCc1ccc2OCOc2c1)c1cc(C)nc(n1)-n1ccnc1 Show InChI InChI=1S/C26H31N7O4/c1-17(2)25(35)33-9-8-31(23-10-18(3)29-26(30-23)32-7-6-27-15-32)14-20(33)12-24(34)28-13-19-4-5-21-22(11-19)37-16-36-21/h4-7,10-11,15,17,20H,8-9,12-14,16H2,1-3H3,(H,28,34)	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	1.90	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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