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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Androgen receptor' and Ligand = 'BDBM50122953'   
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))
BDBM50122953
PNG
(CHEMBL3622578)
Show SMILES [O-][N+](=O)c1ccccc1Cc1n[nH]c(=O)c2ccccc12
Show InChI InChI=1S/C15H11N3O3/c19-15-12-7-3-2-6-11(12)13(16-17-15)9-10-5-1-4-8-14(10)18(20)21/h1-8H,9H2,(H,17,19)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 530n/an/an/an/an/an/a



Ochanomizu University

Curated by ChEMBL


Assay Description
Antagonist activity at wild type AR expressed in human SC cells assessed as inhibition of 1 nM DHT-induced cell proliferation after 3 days by WST-8 a...


Eur J Med Chem 102: 310-9 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.002
BindingDB Entry DOI: 10.7270/Q2348N6H
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50122953
PNG
(CHEMBL3622578)
Show SMILES [O-][N+](=O)c1ccccc1Cc1n[nH]c(=O)c2ccccc12
Show InChI InChI=1S/C15H11N3O3/c19-15-12-7-3-2-6-11(12)13(16-17-15)9-10-5-1-4-8-14(10)18(20)21/h1-8H,9H2,(H,17,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Ochanomizu University

Curated by ChEMBL


Assay Description
Displacement of [3H]-DHT from human GST fused AR-LBD (627 to 919 amino acids) transfected in Escherichia coli HB 101 after 15 hrs by liquid scintilla...


Eur J Med Chem 102: 310-9 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.002
BindingDB Entry DOI: 10.7270/Q2348N6H
More data for this
Ligand-Target Pair