Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nitric oxide synthase, inducible' and Ligand = 'BDBM50365339'   

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))	BDBM50365339 (CHEMBL1956108) Show SMILES CN[C@H]1CC[C@@H](CC1)N1CCc2ccc(cc12)N=C(N)c1cccs1 |r,w:17.19,wU:2.1,wD:5.8,(9.98,-4.84,;11.31,-4.07,;11.31,-2.53,;9.98,-1.76,;9.98,-.22,;11.31,.55,;12.65,-.21,;12.65,-1.76,;11.32,2.09,;12.23,3.35,;11.32,4.6,;9.84,4.12,;8.51,4.88,;7.18,4.11,;7.18,2.57,;8.51,1.8,;9.84,2.57,;5.84,1.8,;4.51,2.57,;4.51,4.11,;3.18,1.8,;1.77,2.44,;.74,1.29,;1.51,-.04,;3.02,.28,)| Show InChI InChI=1S/C20H26N4S/c1-22-15-6-8-17(9-7-15)24-11-10-14-4-5-16(13-18(14)24)23-20(21)19-3-2-12-25-19/h2-5,12-13,15,17,22H,6-11H2,1H3,(H2,21,23)/t15-,17-	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	1.89E+5	n/a	n/a	n/a	n/a	n/a	n/a
NeurAxon Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant iNOS expressed in baculovirus infected insect Sf9 cells assessed as conversion of [3H]L-arginine to [3H]L-citrulline ...				J Med Chem 55: 943-55 (2012) Article DOI: 10.1021/jm201564u BindingDB Entry DOI: 10.7270/Q20P10HM
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