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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Androgen Receptor' and Ligand = 'BDBM50158067'   
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))
BDBM50158067
PNG
((2S,6R)-4-(3-Chloro-4-fluoro-phenyl)-4-aza-tricycl...)
Show SMILES Oc1c2C3CC(C=C3)c2c(O)n1-c1ccc(F)c(Cl)c1 |c:6,THB:9:8:6.7:4|
Show InChI InChI=1S/C15H11ClFNO2/c16-10-6-9(3-4-11(10)17)18-14(19)12-7-1-2-8(5-7)13(12)15(18)20/h1-4,6-8,19-20H,5H2
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2n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DHT binding to T877A androgen receptor of LNCaP cells


Bioorg Med Chem Lett 15: 389-93 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.051
BindingDB Entry DOI: 10.7270/Q2QZ29GJ
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50158067
PNG
((2S,6R)-4-(3-Chloro-4-fluoro-phenyl)-4-aza-tricycl...)
Show SMILES Oc1c2C3CC(C=C3)c2c(O)n1-c1ccc(F)c(Cl)c1 |c:6,THB:9:8:6.7:4|
Show InChI InChI=1S/C15H11ClFNO2/c16-10-6-9(3-4-11(10)17)18-14(19)12-7-1-2-8(5-7)13(12)15(18)20/h1-4,6-8,19-20H,5H2
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177n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DHT binding to androgen receptor of MDA-453 cells


Bioorg Med Chem Lett 15: 389-93 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.051
BindingDB Entry DOI: 10.7270/Q2QZ29GJ
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50158067
PNG
((2S,6R)-4-(3-Chloro-4-fluoro-phenyl)-4-aza-tricycl...)
Show SMILES Oc1c2C3CC(C=C3)c2c(O)n1-c1ccc(F)c(Cl)c1 |c:6,THB:9:8:6.7:4|
Show InChI InChI=1S/C15H11ClFNO2/c16-10-6-9(3-4-11(10)17)18-14(19)12-7-1-2-8(5-7)13(12)15(18)20/h1-4,6-8,19-20H,5H2
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n/an/a 33n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of T877A androgen receptor of human prostate cancer cells in reporter gene assay


Bioorg Med Chem Lett 15: 389-93 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.051
BindingDB Entry DOI: 10.7270/Q2QZ29GJ
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50158067
PNG
((2S,6R)-4-(3-Chloro-4-fluoro-phenyl)-4-aza-tricycl...)
Show SMILES Oc1c2C3CC(C=C3)c2c(O)n1-c1ccc(F)c(Cl)c1 |c:6,THB:9:8:6.7:4|
Show InChI InChI=1S/C15H11ClFNO2/c16-10-6-9(3-4-11(10)17)18-14(19)12-7-1-2-8(5-7)13(12)15(18)20/h1-4,6-8,19-20H,5H2
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n/an/a 132n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of L701H/T877A mutant androgen receptor of human prostate cancer MDAMB-PCa2b cell proliferation


Bioorg Med Chem Lett 15: 389-93 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.051
BindingDB Entry DOI: 10.7270/Q2QZ29GJ
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50158067
PNG
((2S,6R)-4-(3-Chloro-4-fluoro-phenyl)-4-aza-tricycl...)
Show SMILES Oc1c2C3CC(C=C3)c2c(O)n1-c1ccc(F)c(Cl)c1 |c:6,THB:9:8:6.7:4|
Show InChI InChI=1S/C15H11ClFNO2/c16-10-6-9(3-4-11(10)17)18-14(19)12-7-1-2-8(5-7)13(12)15(18)20/h1-4,6-8,19-20H,5H2
PDB
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Article
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n/an/a 517n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human androgen receptor of breast carcinoma MDA-453 cells in reporter gene assay


Bioorg Med Chem Lett 15: 389-93 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.051
BindingDB Entry DOI: 10.7270/Q2QZ29GJ
More data for this
Ligand-Target Pair