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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Androgen receptor' and Ligand = 'BDBM50434575'   
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))
BDBM50434575
PNG
(CHEMBL2386401)
Show SMILES CSc1ccc(cc1)-c1cc(O)c2c(cccc2=O)o1
Show InChI InChI=1S/C16H12O3S/c1-20-11-7-5-10(6-8-11)15-9-13(18)16-12(17)3-2-4-14(16)19-15/h2-9,18H,1H3
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 1.07E+3n/an/an/an/an/an/a



Meijo University

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor LBD expressed in human MDA-kb2 cells by luciferase reporter gene assay


Bioorg Med Chem 21: 2968-74 (2013)


Article DOI: 10.1016/j.bmc.2013.03.060
BindingDB Entry DOI: 10.7270/Q2FT8NFN
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50434575
PNG
(CHEMBL2386401)
Show SMILES CSc1ccc(cc1)-c1cc(O)c2c(cccc2=O)o1
Show InChI InChI=1S/C16H12O3S/c1-20-11-7-5-10(6-8-11)15-9-13(18)16-12(17)3-2-4-14(16)19-15/h2-9,18H,1H3
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 1.07E+3n/an/an/an/an/an/a



Meijo University

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor LBD expressed in human MDA-kb2 cells by luciferase reporter gene assay


Bioorg Med Chem 21: 2968-74 (2013)


Article DOI: 10.1016/j.bmc.2013.03.060
BindingDB Entry DOI: 10.7270/Q2FT8NFN
More data for this
Ligand-Target Pair