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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Androgen Receptor' and Ligand = 'BDBM50428558'   
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))
BDBM50428558
PNG
(CHEMBL2337505)
Show SMILES OC1(Cc2ccccc2)CCN(C1)c1ccc(C#N)c(Cl)c1
Show InChI InChI=1S/C18H17ClN2O/c19-17-10-16(7-6-15(17)12-20)21-9-8-18(22,13-21)11-14-4-2-1-3-5-14/h1-7,10,22H,8-9,11,13H2
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MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 420n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type Androgen receptor (unknown origin) expressed in Freestyle293F cells


Bioorg Med Chem 21: 70-83 (2012)


Article DOI: 10.1016/j.bmc.2012.11.001
BindingDB Entry DOI: 10.7270/Q2QC04VS
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50428558
PNG
(CHEMBL2337505)
Show SMILES OC1(Cc2ccccc2)CCN(C1)c1ccc(C#N)c(Cl)c1
Show InChI InChI=1S/C18H17ClN2O/c19-17-10-16(7-6-15(17)12-20)21-9-8-18(22,13-21)11-14-4-2-1-3-5-14/h1-7,10,22H,8-9,11,13H2
PDB
MMDB

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KEGG

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at wild type Androgen receptor (unknown origin) expressed in human Cos-7 cells co-expressing pGL3-MMTV-luc vector assessed as luc...


Bioorg Med Chem 21: 70-83 (2012)


Article DOI: 10.1016/j.bmc.2012.11.001
BindingDB Entry DOI: 10.7270/Q2QC04VS
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50428558
PNG
(CHEMBL2337505)
Show SMILES OC1(Cc2ccccc2)CCN(C1)c1ccc(C#N)c(Cl)c1
Show InChI InChI=1S/C18H17ClN2O/c19-17-10-16(7-6-15(17)12-20)21-9-8-18(22,13-21)11-14-4-2-1-3-5-14/h1-7,10,22H,8-9,11,13H2
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>1.00E+4n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at wild type Androgen receptor in human LNCaP-hr cells assessed as prostate specific antigen secrection measured after 3 days by enz...


Bioorg Med Chem 21: 70-83 (2012)


Article DOI: 10.1016/j.bmc.2012.11.001
BindingDB Entry DOI: 10.7270/Q2QC04VS
More data for this
Ligand-Target Pair