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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Androgen Receptor' and Ligand = 'BDBM50252276'   
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))
BDBM50252276
PNG
(CHEMBL480955 | N-{4-[(Benzyl)(4-cyanophenyl)amino]...)
Show SMILES Cn1cc(cc1C(=O)N1CCCC1)N(Cc1ccccc1)c1ccc(cc1)C#N
Show InChI InChI=1S/C24H24N4O/c1-26-18-22(15-23(26)24(29)27-13-5-6-14-27)28(17-20-7-3-2-4-8-20)21-11-9-19(16-25)10-12-21/h2-4,7-12,15,18H,5-6,13-14,17H2,1H3
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
130n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Displacement of [3H]testosterone from wild type human androgen receptor


Bioorg Med Chem 16: 6799-812 (2008)


Article DOI: 10.1016/j.bmc.2008.05.063
BindingDB Entry DOI: 10.7270/Q2MK6CPV
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50252276
PNG
(CHEMBL480955 | N-{4-[(Benzyl)(4-cyanophenyl)amino]...)
Show SMILES Cn1cc(cc1C(=O)N1CCCC1)N(Cc1ccccc1)c1ccc(cc1)C#N
Show InChI InChI=1S/C24H24N4O/c1-26-18-22(15-23(26)24(29)27-13-5-6-14-27)28(17-20-7-3-2-4-8-20)21-11-9-19(16-25)10-12-21/h2-4,7-12,15,18H,5-6,13-14,17H2,1H3
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/a 610n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Antagonist activity at wild type human recombinant androgen receptor assessed as inhibition of testosterone-induced growth of mouse androgen dependen...


Bioorg Med Chem 16: 6799-812 (2008)


Article DOI: 10.1016/j.bmc.2008.05.063
BindingDB Entry DOI: 10.7270/Q2MK6CPV
More data for this
Ligand-Target Pair