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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aromatase' and Ligand = 'BDBM50171308'   
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))		BDBM50171308
PNG
(CHEMBL3806046)
Show SMILES O=S(=O)(N1CCCC(Cn2ccnc2)C1)c1ccc(cc1)C#N
Show InChI InChI=1S/C16H18N4O2S/c17-10-14-3-5-16(6-4-14)23(21,22)20-8-1-2-15(12-20)11-19-9-7-18-13-19/h3-7,9,13,15H,1-2,8,11-12H2
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Article
PubMed
n/an/a 36n/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