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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aromatase (CYP19)' and Ligand = 'BDBM9479'   
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))
BDBM9479
PNG
(7-(1H-1,2,4-Triazol-1-ylmethyl)-2H-chromen-2-one |...)
Show SMILES O=c1ccc2ccc(Cn3cncn3)cc2o1
Show InChI InChI=1S/C12H9N3O2/c16-12-4-3-10-2-1-9(5-11(10)17-12)6-15-8-13-7-14-15/h1-5,7-8H,6H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/an/an/an/a7.430



University of Bari



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta, 2beta-3H] testosterone or [1beta-3H] androstenedione during aroma...


J Med Chem 47: 6792-803 (2004)


Article DOI: 10.1021/jm049535j
BindingDB Entry DOI: 10.7270/Q2MS3R0C
More data for this
Ligand-Target Pair