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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Androgen receptor' and Ligand = 'BDBM50180830'   
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


(Homo sapiens (Human))
BDBM50180830
PNG
(CHEMBL3819303)
Show SMILES CC(C)C(O)(c1ccc(C#N)c(c1C)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C14H13F6NO/c1-7(2)12(22,14(18,19)20)10-5-4-9(6-21)11(8(10)3)13(15,16)17/h4-5,7,22H,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 0.251n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Modulation of human androgen receptor expressed in African green monkey CV1 cells after 24 hrs by luciferase reporter gene assay


ACS Med Chem Lett 7: 83-8 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00377
BindingDB Entry DOI: 10.7270/Q2K35WMN
More data for this
Ligand-Target Pair