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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Androgen receptor' and Ligand = 'BDBM50051358'   
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))
BDBM50051358
PNG
(2,3-Dihydroflavone | 2,3-dihydro-2-phenyl-4H-1-ben...)
Show SMILES O=C1CC(Oc2ccccc12)c1ccccc1
Show InChI InChI=1S/C15H12O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-9,15H,10H2
PDB
MMDB

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CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem

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Similars

Article
PubMed
n/an/a 2.00E+4n/an/an/an/an/an/a



Meijo University

Curated by ChEMBL


Assay Description
Antagonist activity at androgen receptor in human MDA-kb2 cells assessed as inhibition of DHT-induced luciferase activity by luciferase reporter gene...


Bioorg Med Chem Lett 19: 4706-10 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.073
BindingDB Entry DOI: 10.7270/Q26T0MNQ
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50051358
PNG
(2,3-Dihydroflavone | 2,3-dihydro-2-phenyl-4H-1-ben...)
Show SMILES O=C1CC(Oc2ccccc12)c1ccccc1
Show InChI InChI=1S/C15H12O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-9,15H,10H2
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 5.50E+4n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant rat androgen receptor expressed in Escherichia coli using [3H]methyltrienolone (R 1881)


J Med Chem 48: 5666-74 (2005)


Article DOI: 10.1021/jm050403f
BindingDB Entry DOI: 10.7270/Q2TM7CBZ
More data for this
Ligand-Target Pair