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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aromatase' and Ligand = 'BDBM50351872'   
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))
BDBM50351872
PNG
(CHEMBL1825033)
Show SMILES N#Cc1ccc(Cn2cc(COc3ccc(cc3)C#N)nn2)cc1
Show InChI InChI=1S/C18H13N5O/c19-9-14-1-3-16(4-2-14)11-23-12-17(21-22-23)13-24-18-7-5-15(10-20)6-8-18/h1-8,12H,11,13H2
PDB
MMDB

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Similars

Article
PubMed
n/an/a 9.16E+3n/an/an/an/an/an/a



Universit£ de Moncton

Curated by ChEMBL


Assay Description
Inhibition of aromatase using 7-methoxy-4-trifluoromethyl coumarin as substrate after 30 mins by fluorescence-based colorimetric analysis


Eur J Med Chem 46: 4010-24 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.074
BindingDB Entry DOI: 10.7270/Q2C24WTR
More data for this
Ligand-Target Pair