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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Androgen Receptor' and Ligand = 'BDBM50252218'   
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))
BDBM50252218
PNG
(CHEMBL481746 | N-[4-[(4-Hydroxymethylbenzyl)(4-nit...)
Show SMILES Cn1cc(cc1C(=O)N1CCCC1)N(Cc1ccc(CO)cc1)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C24H26N4O4/c1-25-16-22(14-23(25)24(30)26-12-2-3-13-26)27(15-18-4-6-19(17-29)7-5-18)20-8-10-21(11-9-20)28(31)32/h4-11,14,16,29H,2-3,12-13,15,17H2,1H3
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PC cid
PC sid
UniChem
Article
PubMed
1.80E+3n/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))
BDBM50252218
PNG
(CHEMBL481746 | N-[4-[(4-Hydroxymethylbenzyl)(4-nit...)
Show SMILES Cn1cc(cc1C(=O)N1CCCC1)N(Cc1ccc(CO)cc1)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C24H26N4O4/c1-25-16-22(14-23(25)24(30)26-12-2-3-13-26)27(15-18-4-6-19(17-29)7-5-18)20-8-10-21(11-9-20)28(31)32/h4-11,14,16,29H,2-3,12-13,15,17H2,1H3
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 5.50E+3n/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