Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nitric oxide synthase, inducible' and Ligand = 'BDBM50207103'   

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))	BDBM50207103 (2-(4-(1H-imidazol-1-yl)-2-(trifluoromethyl)phenoxy...) Show SMILES Cc1cc(Oc2ccc3OCOc3c2)nc(Oc2ccc(cc2C(F)(F)F)-n2ccnc2)n1 Show InChI InChI=1S/C22H15F3N4O4/c1-13-8-20(32-15-3-5-18-19(10-15)31-12-30-18)28-21(27-13)33-17-4-2-14(29-7-6-26-11-29)9-16(17)22(23,24)25/h2-11H,12H2,1H3	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	220	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Inhibition of iNOS in human A172 cells after 18 to 24 hrs				Bioorg Med Chem Lett 17: 2505-8 (2007) Article DOI: 10.1016/j.bmcl.2007.02.018 BindingDB Entry DOI: 10.7270/Q2XG9QTP
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