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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Androgen receptor' and Ligand = 'BDBM50259981'   
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))
BDBM50259981
PNG
(CHEMBL4085241)
Show SMILES CC1(C)C[C@@](O)([C@@H](Nc2cccc3c2cc[nH]c3=O)c2ccc(F)c(O)c12)C(F)(F)F |r|
Show InChI InChI=1S/C22H20F4N2O3/c1-20(2)10-21(31,22(24,25)26)18(13-6-7-14(23)17(29)16(13)20)28-15-5-3-4-12-11(15)8-9-27-19(12)30/h3-9,18,28-29,31H,10H2,1-2H3,(H,27,30)/t18-,21+/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 316n/an/an/an/an/an/a



Bayer Pharma AG

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human androgen receptor expressed in baculovirus infected sf9 cells


Bioorg Med Chem Lett 27: 437-442 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.047
BindingDB Entry DOI: 10.7270/Q2WH2SFZ
More data for this
Ligand-Target Pair