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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aromatase' and Ligand = 'BDBM50171348'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Aromatase


(Homo sapiens (Human))		BDBM50171348
PNG
(CHEMBL3806075)
Show SMILES COc1c(C)cc(cc1C)S(=O)(=O)N1CCCC(Cn2ccnc2)C1
Show InChI InChI=1S/C18H25N3O3S/c1-14-9-17(10-15(2)18(14)24-3)25(22,23)21-7-4-5-16(12-21)11-20-8-6-19-13-20/h6,8-10,13,16H,4-5,7,11-12H2,1-3H3
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Article
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n/an/a 21n/an/an/an/an/an/a



University of Chieti 'G. d'Annunzio'

Curated by ChEMBL


Assay Description
Inhibition of recombinant human aromatase using 7-methoxy-4-trifluoromethyl coumarin as substrate measured at anoxic conditions by fluorescence analy...

Bioorg Med Chem Lett 26: 3192-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.078
BindingDB Entry DOI: 10.7270/Q29C70CS
More data for this
Ligand-Target Pair