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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Androgen receptor' and Ligand = 'BDBM50051063'   
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))
BDBM50051063
PNG
(CHEMBL3318067)
Show SMILES CC(C)N(Cc1ccc(C)o1)C(=O)c1cc2cccc(F)c2[nH]1
Show InChI InChI=1S/C18H19FN2O2/c1-11(2)21(10-14-8-7-12(3)23-14)18(22)16-9-13-5-4-6-15(19)17(13)20-16/h4-9,11,20H,10H2,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of androgen receptor binding function 3 in eGFP-expressing human LNCAP cells containing androgen-responsive probasin-derived promoter asse...


J Med Chem 57: 6867-72 (2014)


Article DOI: 10.1021/jm500684r
BindingDB Entry DOI: 10.7270/Q29S1SNR
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50051063
PNG
(CHEMBL3318067)
Show SMILES CC(C)N(Cc1ccc(C)o1)C(=O)c1cc2cccc(F)c2[nH]1
Show InChI InChI=1S/C18H19FN2O2/c1-11(2)21(10-14-8-7-12(3)23-14)18(22)16-9-13-5-4-6-15(19)17(13)20-16/h4-9,11,20H,10H2,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of androgen receptor binding function 3 in human LNCAP cells containing androgen-responsive probasin-derived promoter assessed as reductio...


J Med Chem 57: 6867-72 (2014)


Article DOI: 10.1021/jm500684r
BindingDB Entry DOI: 10.7270/Q29S1SNR
More data for this
Ligand-Target Pair