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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Androgen receptor' and Ligand = 'BDBM50355938'   
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))
BDBM50355938
PNG
(CHEMBL1909642)
Show SMILES CC(C)(CO)[C@H]1Nc2ccc(cc2[C@H]2OCC[C@@H]12)[N+]([O-])=O |r|
Show InChI InChI=1S/C15H20N2O4/c1-15(2,8-18)14-10-5-6-21-13(10)11-7-9(17(19)20)3-4-12(11)16-14/h3-4,7,10,13-14,16,18H,5-6,8H2,1-2H3/t10-,13+,14+/m1/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 38n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Competitive binding affinity to rat androgen receptor


Bioorg Med Chem Lett 21: 6310-3 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.08.118
BindingDB Entry DOI: 10.7270/Q2JH3MKZ
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50355938
PNG
(CHEMBL1909642)
Show SMILES CC(C)(CO)[C@H]1Nc2ccc(cc2[C@H]2OCC[C@@H]12)[N+]([O-])=O |r|
Show InChI InChI=1S/C15H20N2O4/c1-15(2,8-18)14-10-5-6-21-13(10)11-7-9(17(19)20)3-4-12(11)16-14/h3-4,7,10,13-14,16,18H,5-6,8H2,1-2H3/t10-,13+,14+/m1/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at rat androgen receptor


Bioorg Med Chem Lett 21: 6310-3 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.08.118
BindingDB Entry DOI: 10.7270/Q2JH3MKZ
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50355938
PNG
(CHEMBL1909642)
Show SMILES CC(C)(CO)[C@H]1Nc2ccc(cc2[C@H]2OCC[C@@H]12)[N+]([O-])=O |r|
Show InChI InChI=1S/C15H20N2O4/c1-15(2,8-18)14-10-5-6-21-13(10)11-7-9(17(19)20)3-4-12(11)16-14/h3-4,7,10,13-14,16,18H,5-6,8H2,1-2H3/t10-,13+,14+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 190n/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at rat androgen receptor


Bioorg Med Chem Lett 21: 6310-3 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.08.118
BindingDB Entry DOI: 10.7270/Q2JH3MKZ
More data for this
Ligand-Target Pair