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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Androgen receptor' and Ligand = 'BDBM50535827'   
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
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50535827
PNG
(CHEMBL4580745)
Show SMILES CC(O)(CSc1ccccc1C(F)(F)F)C(=O)Nc1ccc(cc1C(F)(F)F)[N+]([O-])=O
Show InChI InChI=1S/C18H14F6N2O4S/c1-16(28,9-31-14-5-3-2-4-11(14)17(19,20)21)15(27)25-13-7-6-10(26(29)30)8-12(13)18(22,23)24/h2-8,28H,9H2,1H3,(H,25,27)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 332n/an/an/an/an/an/a



School of Pharmacy and Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at rat androgen receptor fused with DNA-binding domain of GAL4 expressed in AR-UAS-bla GripTite 293 cells assessed as inhibition ...


Eur J Med Chem 118: 230-43 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.052
BindingDB Entry DOI: 10.7270/Q2K35Z5N
More data for this
Ligand-Target Pair