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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aromatase' and Ligand = 'BDBM50337125'   
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))		BDBM50337125
PNG
(4-(((4',6-dicyanobiphenyl-3-yl)(4H-1,2,4-triazol-4...)
Show SMILES NS(=O)(=O)Oc1ccc(CN(c2ccc(C#N)c(c2)-c2ccc(cc2)C#N)n2cnnc2)cc1
Show InChI InChI=1S/C23H17N7O3S/c24-12-17-1-5-19(6-2-17)23-11-21(8-7-20(23)13-25)30(29-15-27-28-16-29)14-18-3-9-22(10-4-18)33-34(26,31)32/h1-11,15-16H,14H2,(H2,26,31,32)
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Article
PubMed
n/an/a 0.75n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of aromatase in human JEG-3 cells using [1beta-3H]androstenedione after 1 hr by scintillation spectrometry

ACS Med Chem Lett 2: 243-247 (2011)


Article DOI: 10.1021/ml100273k
BindingDB Entry DOI: 10.7270/Q2X067BN
More data for this
Ligand-Target Pair