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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aromatase (CYP19)' and Monomerid = 50307883   
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 (CYP19)


(Homo sapiens (Human))
BDBM50307883
PNG
(5'-((1H-1,2,4-triazol-1-yl)methyl)-2'-cyanobipheny...)
Show SMILES CN(C)S(=O)(=O)Oc1ccc(cc1)-c1cc(Cn2cncn2)ccc1C#N
Show InChI InChI=1S/C18H17N5O3S/c1-22(2)27(24,25)26-17-7-5-15(6-8-17)18-9-14(3-4-16(18)10-19)11-23-13-20-12-21-23/h3-9,12-13H,11H2,1-2H3
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.5n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of aromatse in human JEG3 cells by scintillation spectrometry


J Med Chem 53: 2155-70 (2010)


Article DOI: 10.1021/jm901705h
BindingDB Entry DOI: 10.7270/Q2959JGF
More data for this
Ligand-Target Pair