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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Androgen receptor' and Ligand = 'BDBM50373224'   
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))
BDBM50373224
PNG
(CHEMBL258241)
Show SMILES Cc1cc(=O)[nH]c2ccc3c4cc(F)ccc4oc(=O)c3c12
Show InChI InChI=1S/C17H10FNO3/c1-8-6-14(20)19-12-4-3-10-11-7-9(18)2-5-13(11)22-17(21)16(10)15(8)12/h2-7H,1H3,(H,19,20)
PDB
MMDB

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



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human androgen receptor expressed in monkey COS7 cells by whole cell binding assay


Bioorg Med Chem Lett 18: 3431-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.085
BindingDB Entry DOI: 10.7270/Q25M66J9
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50373224
PNG
(CHEMBL258241)
Show SMILES Cc1cc(=O)[nH]c2ccc3c4cc(F)ccc4oc(=O)c3c12
Show InChI InChI=1S/C17H10FNO3/c1-8-6-14(20)19-12-4-3-10-11-7-9(18)2-5-13(11)22-17(21)16(10)15(8)12/h2-7H,1H3,(H,19,20)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 27n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor african green monkey CV1 cells by cotransfection assay


Bioorg Med Chem Lett 18: 3431-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.085
BindingDB Entry DOI: 10.7270/Q25M66J9
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50373224
PNG
(CHEMBL258241)
Show SMILES Cc1cc(=O)[nH]c2ccc3c4cc(F)ccc4oc(=O)c3c12
Show InChI InChI=1S/C17H10FNO3/c1-8-6-14(20)19-12-4-3-10-11-7-9(18)2-5-13(11)22-17(21)16(10)15(8)12/h2-7H,1H3,(H,19,20)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 101n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Activity at androgen receptor in human Saos2 cells assessed as IL6 repression


Bioorg Med Chem Lett 18: 3431-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.085
BindingDB Entry DOI: 10.7270/Q25M66J9
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50373224
PNG
(CHEMBL258241)
Show SMILES Cc1cc(=O)[nH]c2ccc3c4cc(F)ccc4oc(=O)c3c12
Show InChI InChI=1S/C17H10FNO3/c1-8-6-14(20)19-12-4-3-10-11-7-9(18)2-5-13(11)22-17(21)16(10)15(8)12/h2-7H,1H3,(H,19,20)
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 240n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human androgen receptor african green monkey CV1 cells by cotransfection assay


Bioorg Med Chem Lett 18: 3431-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.085
BindingDB Entry DOI: 10.7270/Q25M66J9
More data for this
Ligand-Target Pair