Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nitric oxide synthase, inducible' and Ligand = 'BDBM50304151'   

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))	BDBM50304151 (4,5,6,7-tetrafluoro-3-perfluorophenyl-1H-indazole ...) Show SMILES Fc1c(F)c(F)c(-c2n[nH]c3c(F)c(F)c(F)c(F)c23)c(F)c1F |(10.47,-19.5,;9.99,-20.96,;11.03,-22.11,;12.53,-21.79,;10.55,-23.57,;11.58,-24.72,;9.04,-23.88,;8.57,-25.35,;9.47,-26.59,;8.57,-27.84,;7.1,-27.36,;5.77,-28.14,;5.78,-29.68,;4.43,-27.37,;3.1,-28.14,;4.43,-25.83,;3.1,-25.06,;5.77,-25.06,;5.77,-23.52,;7.1,-25.82,;8.01,-22.75,;6.67,-21.98,;8.48,-21.29,;7.45,-20.15,)| Show InChI InChI=1S/C13HF9N2/c14-3-1(4(15)7(18)9(20)6(3)17)12-2-5(16)8(19)10(21)11(22)13(2)24-23-12/h(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
UNED Curated by ChEMBL					Assay Description Inhibition of NOS2				Bioorg Med Chem 17: 6180-7 (2009) Article DOI: 10.1016/j.bmc.2009.07.067 BindingDB Entry DOI: 10.7270/Q2ZG6SBD
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