BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aromatase (CYP19)' and Ligand = 'BDBM50121076'   
Target
(Institution)
LigandTarget
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))
BDBM50121076
PNG
(CHEMBL3622059)
Show SMILES NS(=O)(=O)Oc1ccc(SCCCCCN(c2ccc(cc2)C#N)n2cnnc2)cc1
Show InChI InChI=1S/C20H22N6O3S2/c21-14-17-4-6-18(7-5-17)26(25-15-23-24-16-25)12-2-1-3-13-30-20-10-8-19(9-11-20)29-31(22,27)28/h4-11,15-16H,1-3,12-13H2,(H2,22,27,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
PubMed
n/an/a 0.730n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of aromatase (unknown origin) expressed in JEG-3 cells


J Med Chem 58: 7634-58 (2015)

More data for this
Ligand-Target Pair