Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nitric oxide synthase, inducible' and Ligand = 'BDBM50116677'   

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))	BDBM50116677 ((4aR,8aR)-4-Methyl-4a,5,6,7,8,8a-hexahydro-1H-quin...) Show SMILES CC1=CC(N)=N[C@@H]2CCCC[C@H]12 |c:4,t:1| Show InChI InChI=1S/C10H16N2/c1-7-6-10(11)12-9-5-3-2-4-8(7)9/h6,8-9H,2-5H2,1H3,(H2,11,12)/t8-,9-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Fukui Research Institute Curated by ChEMBL					Assay Description Concentration required to inhibit human Inducible nitric oxide synthase over expressed in A549 cells				Bioorg Med Chem Lett 12: 2291-4 (2002) BindingDB Entry DOI: 10.7270/Q2M32V3P
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