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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aromatase' and Ligand = 'BDBM50171346'   
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))		BDBM50171346
PNG
(CHEMBL3805388)
Show SMILES COc1c(C)cc(c(C)c1C)S(=O)(=O)N1CCCC(Cn2ccnc2)C1
Show InChI InChI=1S/C19H27N3O3S/c1-14-10-18(15(2)16(3)19(14)25-4)26(23,24)22-8-5-6-17(12-22)11-21-9-7-20-13-21/h7,9-10,13,17H,5-6,8,11-12H2,1-4H3
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MMDB

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Article
PubMed
n/an/a 45n/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