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Compile Data Set for Download or QSAR

Found 80 hits with Last Name = 'iula' and Initial = 'd'   
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
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50382321
PNG
(CHEMBL2024688)
Show SMILES Cc1cnn(c1-c1ccc2nc[nH]c(=O)c2c1)-c1cccc(C)n1
Show InChI InChI=1S/C18H15N5O/c1-11-9-21-23(16-5-3-4-12(2)22-16)17(11)13-6-7-15-14(8-13)18(24)20-10-19-15/h3-10H,1-2H3,(H,19,20,24)
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n/an/a 1n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK5


Bioorg Med Chem Lett 22: 3392-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.013
BindingDB Entry DOI: 10.7270/Q2QC04H9
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50382322
PNG
(CHEMBL2024689)
Show SMILES CCc1cc(-c2ccc3ncn(C)c(=O)c3c2)n(n1)-c1cccc(C)n1
Show InChI InChI=1S/C20H19N5O/c1-4-15-11-18(25(23-15)19-7-5-6-13(2)22-19)14-8-9-17-16(10-14)20(26)24(3)12-21-17/h5-12H,4H2,1-3H3
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n/an/a 1n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK5


Bioorg Med Chem Lett 22: 3392-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.013
BindingDB Entry DOI: 10.7270/Q2QC04H9
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50382324
PNG
(CHEMBL2024691)
Show SMILES CCc1cnn(c1-c1ccc2nc[nH]c(=O)c2c1)-c1cccc(C)n1
Show InChI InChI=1S/C19H17N5O/c1-3-13-10-22-24(17-6-4-5-12(2)23-17)18(13)14-7-8-16-15(9-14)19(25)21-11-20-16/h4-11H,3H2,1-2H3,(H,20,21,25)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK5


Bioorg Med Chem Lett 22: 3392-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.013
BindingDB Entry DOI: 10.7270/Q2QC04H9
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50382320
PNG
(CHEMBL2024687)
Show SMILES Cc1cc(-c2ccc3ncn(C)c(=O)c3c2)n(n1)-c1cccc(C)n1
Show InChI InChI=1S/C19H17N5O/c1-12-5-4-6-18(21-12)24-17(9-13(2)22-24)14-7-8-16-15(10-14)19(25)23(3)11-20-16/h4-11H,1-3H3
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n/an/a 3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK5


Bioorg Med Chem Lett 22: 3392-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.013
BindingDB Entry DOI: 10.7270/Q2QC04H9
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50382318
PNG
(CHEMBL2024685)
Show SMILES Cc1cccc(n1)-n1nccc1-c1ccc2ncn(C=C)c(=O)c2c1
Show InChI InChI=1S/C19H15N5O/c1-3-23-12-20-16-8-7-14(11-15(16)19(23)25)17-9-10-21-24(17)18-6-4-5-13(2)22-18/h3-12H,1H2,2H3
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n/an/a 4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK5


Bioorg Med Chem Lett 22: 3392-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.013
BindingDB Entry DOI: 10.7270/Q2QC04H9
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50382319
PNG
(CHEMBL2024686)
Show SMILES Cc1cnn(c1-c1ccc2ncn(C)c(=O)c2c1)-c1cccc(C)n1
Show InChI InChI=1S/C19H17N5O/c1-12-10-21-24(17-6-4-5-13(2)22-17)18(12)14-7-8-16-15(9-14)19(25)23(3)11-20-16/h4-11H,1-3H3
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n/an/a 4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK5


Bioorg Med Chem Lett 22: 3392-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.013
BindingDB Entry DOI: 10.7270/Q2QC04H9
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50382325
PNG
(CHEMBL2024693)
Show SMILES Cc1cccc(n1)-n1nc2CCCc2c1-c1ccc2nc[nH]c(=O)c2c1
Show InChI InChI=1S/C20H17N5O/c1-12-4-2-7-18(23-12)25-19(14-5-3-6-17(14)24-25)13-8-9-16-15(10-13)20(26)22-11-21-16/h2,4,7-11H,3,5-6H2,1H3,(H,21,22,26)
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n/an/a 5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK5


Bioorg Med Chem Lett 22: 3392-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.013
BindingDB Entry DOI: 10.7270/Q2QC04H9
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50382323
PNG
(CHEMBL2024690)
Show SMILES Cc1cccc(n1)-n1nccc1-c1ccc2nc[nH]c(=O)c2c1
Show InChI InChI=1S/C17H13N5O/c1-11-3-2-4-16(21-11)22-15(7-8-20-22)12-5-6-14-13(9-12)17(23)19-10-18-14/h2-10H,1H3,(H,18,19,23)
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n/an/a 6n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK5


Bioorg Med Chem Lett 22: 3392-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.013
BindingDB Entry DOI: 10.7270/Q2QC04H9
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50278401
PNG
(4-(2,6-dimethylphenoxy)-2-(trifluoromethyl)benzoni...)
Show SMILES Cc1cccc(C)c1Oc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C16H12F3NO/c1-10-4-3-5-11(2)15(10)21-13-7-6-12(9-20)14(8-13)16(17,18)19/h3-8H,1-2H3
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n/an/a 10n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human cloned androgen receptor expressed in insect Sf9 cell system


Bioorg Med Chem Lett 19: 2176-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.104
BindingDB Entry DOI: 10.7270/Q27P8Z8W
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50382317
PNG
(CHEMBL2024684)
Show SMILES Cc1cccc(n1)-n1nccc1-c1ccc2ncn(C)c(=O)c2c1
Show InChI InChI=1S/C18H15N5O/c1-12-4-3-5-17(21-12)23-16(8-9-20-23)13-6-7-15-14(10-13)18(24)22(2)11-19-15/h3-11H,1-2H3
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n/an/a 13n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK5


Bioorg Med Chem Lett 22: 3392-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.013
BindingDB Entry DOI: 10.7270/Q2QC04H9
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM25428
PNG
(4-[3-(4-hydroxybutyl)-4,4-dimethyl-2,5-dioxoimidaz...)
Show SMILES CC1(C)N(CCCCO)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C17H18F3N3O3/c1-16(2)14(25)23(15(26)22(16)7-3-4-8-24)12-6-5-11(10-21)13(9-12)17(18,19)20/h5-6,9,24H,3-4,7-8H2,1-2H3
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n/an/a 16n/an/an/an/a7.44



Pfizer



Assay Description
The competitive radio-ligand binding analysis was performed on human AR extracts from transfected Sf9 cells in the presence or absence of differing c...


J Med Chem 51: 7010-4 (2008)


Article DOI: 10.1021/jm8009316
BindingDB Entry DOI: 10.7270/Q2Z31WZ1
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM25428
PNG
(4-[3-(4-hydroxybutyl)-4,4-dimethyl-2,5-dioxoimidaz...)
Show SMILES CC1(C)N(CCCCO)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C17H18F3N3O3/c1-16(2)14(25)23(15(26)22(16)7-3-4-8-24)12-6-5-11(10-21)13(9-12)17(18,19)20/h5-6,9,24H,3-4,7-8H2,1-2H3
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n/an/a 16n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human cloned androgen receptor expressed in insect Sf9 cell system


Bioorg Med Chem Lett 19: 2176-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.104
BindingDB Entry DOI: 10.7270/Q27P8Z8W
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50278353
PNG
(4-(2-ethylphenoxy)-2-(trifluoromethyl)benzonitrile...)
Show SMILES CCc1ccccc1Oc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C16H12F3NO/c1-2-11-5-3-4-6-15(11)21-13-8-7-12(10-20)14(9-13)16(17,18)19/h3-9H,2H2,1H3
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n/an/a 20n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human cloned androgen receptor expressed in insect Sf9 cell system


Bioorg Med Chem Lett 19: 2176-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.104
BindingDB Entry DOI: 10.7270/Q27P8Z8W
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM25432
PNG
(6-{methyl[(1R)-1-phenylethyl]amino}-4-(trifluorome...)
Show SMILES C[C@@H](N(C)c1cc(c(cn1)C#N)C(F)(F)F)c1ccccc1 |r|
Show InChI InChI=1S/C16H14F3N3/c1-11(12-6-4-3-5-7-12)22(2)15-8-14(16(17,18)19)13(9-20)10-21-15/h3-8,10-11H,1-2H3/t11-/m1/s1
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n/an/a 20n/an/an/an/a7.44



Pfizer



Assay Description
The competitive radio-ligand binding analysis was performed on human AR extracts from transfected Sf9 cells in the presence or absence of differing c...


J Med Chem 51: 7010-4 (2008)


Article DOI: 10.1021/jm8009316
BindingDB Entry DOI: 10.7270/Q2Z31WZ1
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50278404
PNG
(4-(2-(methylthio)phenoxy)-2-(trifluoromethyl)benzo...)
Show SMILES CSc1ccccc1Oc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C15H10F3NOS/c1-21-14-5-3-2-4-13(14)20-11-7-6-10(9-19)12(8-11)15(16,17)18/h2-8H,1H3
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n/an/a 22n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in human MDA-MB-231 cells assessed as inhibition of DHT-induced response


Bioorg Med Chem Lett 19: 2176-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.104
BindingDB Entry DOI: 10.7270/Q27P8Z8W
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM25434
PNG
(4-(2-hydroxycyclohexyl)-2-(trifluoromethyl)benzoni...)
Show SMILES OC1CCCCC1c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C14H14F3NO/c15-14(16,17)12-7-9(5-6-10(12)8-18)11-3-1-2-4-13(11)19/h5-7,11,13,19H,1-4H2
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n/an/a 26n/an/an/an/a7.44



Pfizer



Assay Description
The competitive radio-ligand binding analysis was performed on human AR extracts from transfected Sf9 cells in the presence or absence of differing c...


J Med Chem 51: 7010-4 (2008)


Article DOI: 10.1021/jm8009316
BindingDB Entry DOI: 10.7270/Q2Z31WZ1
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50278226
PNG
(2-chloro-4-(o-tolyloxy)benzonitrile | CHEMBL470204)
Show SMILES Cc1ccccc1Oc1ccc(C#N)c(Cl)c1
Show InChI InChI=1S/C14H10ClNO/c1-10-4-2-3-5-14(10)17-12-7-6-11(9-16)13(15)8-12/h2-8H,1H3
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n/an/a 30n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human cloned androgen receptor expressed in insect Sf9 cell system


Bioorg Med Chem Lett 19: 2176-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.104
BindingDB Entry DOI: 10.7270/Q27P8Z8W
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM25428
PNG
(4-[3-(4-hydroxybutyl)-4,4-dimethyl-2,5-dioxoimidaz...)
Show SMILES CC1(C)N(CCCCO)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C17H18F3N3O3/c1-16(2)14(25)23(15(26)22(16)7-3-4-8-24)12-6-5-11(10-21)13(9-12)17(18,19)20/h5-6,9,24H,3-4,7-8H2,1-2H3
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n/an/a 32n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in human MDA-MB-231 cells assessed as inhibition of DHT-induced response


Bioorg Med Chem Lett 19: 2176-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.104
BindingDB Entry DOI: 10.7270/Q27P8Z8W
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50278403
PNG
(4-(2-hydroxyphenoxy)-2-(trifluoromethyl)benzonitri...)
Show SMILES Oc1ccccc1Oc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C14H8F3NO2/c15-14(16,17)11-7-10(6-5-9(11)8-18)20-13-4-2-1-3-12(13)19/h1-7,19H
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n/an/a 34n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human cloned androgen receptor expressed in insect Sf9 cell system


Bioorg Med Chem Lett 19: 2176-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.104
BindingDB Entry DOI: 10.7270/Q27P8Z8W
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM25431
PNG
(4-(2-hydroxyphenyl)-2-methoxybenzonitrile | diaryl...)
Show SMILES COc1cc(ccc1C#N)-c1ccccc1O
Show InChI InChI=1S/C14H11NO2/c1-17-14-8-10(6-7-11(14)9-15)12-4-2-3-5-13(12)16/h2-8,16H,1H3
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Pfizer



Assay Description
The competitive radio-ligand binding analysis was performed on human AR extracts from transfected Sf9 cells in the presence or absence of differing c...


J Med Chem 51: 7010-4 (2008)


Article DOI: 10.1021/jm8009316
BindingDB Entry DOI: 10.7270/Q2Z31WZ1
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM25436
PNG
(4-[(1R,2R)-2-hydroxycyclohexyl]-2-(trifluoromethyl...)
Show SMILES O[C@@H]1CCCC[C@@H]1c1ccc(C#N)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C14H14F3NO/c15-14(16,17)12-7-9(5-6-10(12)8-18)11-3-1-2-4-13(11)19/h5-7,11,13,19H,1-4H2/t11-,13-/m1/s1
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n/an/a 37n/an/an/an/a7.44



Pfizer



Assay Description
The competitive radio-ligand binding analysis was performed on human AR extracts from transfected Sf9 cells in the presence or absence of differing c...


J Med Chem 51: 7010-4 (2008)


Article DOI: 10.1021/jm8009316
BindingDB Entry DOI: 10.7270/Q2Z31WZ1
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM25430
PNG
(4-(2-hydroxyphenyl)-2-(trifluoromethyl)benzonitril...)
Show SMILES Oc1ccccc1-c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C14H8F3NO/c15-14(16,17)12-7-9(5-6-10(12)8-18)11-3-1-2-4-13(11)19/h1-7,19H
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n/an/a 39.9n/an/an/an/a7.44



Pfizer



Assay Description
The competitive radio-ligand binding analysis was performed on human AR extracts from transfected Sf9 cells in the presence or absence of differing c...


J Med Chem 51: 7010-4 (2008)


Article DOI: 10.1021/jm8009316
BindingDB Entry DOI: 10.7270/Q2Z31WZ1
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50278498
PNG
(4-(2-fluoro-6-methoxyphenoxy)-2-(trifluoromethyl)b...)
Show SMILES COc1cccc(F)c1Oc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C15H9F4NO2/c1-21-13-4-2-3-12(16)14(13)22-10-6-5-9(8-20)11(7-10)15(17,18)19/h2-7H,1H3
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n/an/a 42n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in human MDA-MB-231 cells assessed as inhibition of DHT-induced response


Bioorg Med Chem Lett 19: 2176-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.104
BindingDB Entry DOI: 10.7270/Q27P8Z8W
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Mus musculus)
BDBM50382318
PNG
(CHEMBL2024685)
Show SMILES Cc1cccc(n1)-n1nccc1-c1ccc2ncn(C=C)c(=O)c2c1
Show InChI InChI=1S/C19H15N5O/c1-3-23-12-20-16-8-7-14(11-15(16)19(23)25)17-9-10-21-24(17)18-6-4-5-13(2)22-18/h3-12H,1H2,2H3
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n/an/a 44n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK5 in mouse NIH/3T3 cells by smad binding element reporter based assay


Bioorg Med Chem Lett 22: 3392-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.013
BindingDB Entry DOI: 10.7270/Q2QC04H9
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50248505
PNG
(3-chloro-4-(o-tolyloxy)benzonitrile | CHEMBL490955)
Show SMILES Cc1ccccc1Oc1ccc(cc1Cl)C#N
Show InChI InChI=1S/C14H10ClNO/c1-10-4-2-3-5-13(10)17-14-7-6-11(9-16)8-12(14)15/h2-8H,1H3
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n/an/a 46n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in human MDA-MB-231 cells assessed as inhibition of DHT-induced response


Bioorg Med Chem Lett 19: 2176-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.104
BindingDB Entry DOI: 10.7270/Q27P8Z8W
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Mus musculus)
BDBM50382325
PNG
(CHEMBL2024693)
Show SMILES Cc1cccc(n1)-n1nc2CCCc2c1-c1ccc2nc[nH]c(=O)c2c1
Show InChI InChI=1S/C20H17N5O/c1-12-4-2-7-18(23-12)25-19(14-5-3-6-17(14)24-25)13-8-9-16-15(10-13)20(26)22-11-21-16/h2,4,7-11H,3,5-6H2,1H3,(H,21,22,26)
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n/an/a 46n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK5 in mouse NIH/3T3 cells by smad binding element reporter based assay


Bioorg Med Chem Lett 22: 3392-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.013
BindingDB Entry DOI: 10.7270/Q2QC04H9
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Mus musculus)
BDBM50382324
PNG
(CHEMBL2024691)
Show SMILES CCc1cnn(c1-c1ccc2nc[nH]c(=O)c2c1)-c1cccc(C)n1
Show InChI InChI=1S/C19H17N5O/c1-3-13-10-22-24(17-6-4-5-12(2)23-17)18(13)14-7-8-16-15(9-14)19(25)21-11-20-16/h4-11H,3H2,1-2H3,(H,20,21,25)
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n/an/a 47n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK5 in mouse NIH/3T3 cells by smad binding element reporter based assay


Bioorg Med Chem Lett 22: 3392-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.013
BindingDB Entry DOI: 10.7270/Q2QC04H9
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50278405
PNG
(4-(2-ethoxyphenoxy)-2-(trifluoromethyl)benzonitril...)
Show SMILES CCOc1ccccc1Oc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C16H12F3NO2/c1-2-21-14-5-3-4-6-15(14)22-12-8-7-11(10-20)13(9-12)16(17,18)19/h3-9H,2H2,1H3
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n/an/a 47n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in human MDA-MB-231 cells assessed as inhibition of DHT-induced response


Bioorg Med Chem Lett 19: 2176-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.104
BindingDB Entry DOI: 10.7270/Q27P8Z8W
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50278226
PNG
(2-chloro-4-(o-tolyloxy)benzonitrile | CHEMBL470204)
Show SMILES Cc1ccccc1Oc1ccc(C#N)c(Cl)c1
Show InChI InChI=1S/C14H10ClNO/c1-10-4-2-3-5-14(10)17-12-7-6-11(9-16)13(15)8-12/h2-8H,1H3
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n/an/a 57n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in human MDA-MB-231 cells assessed as inhibition of DHT-induced response


Bioorg Med Chem Lett 19: 2176-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.104
BindingDB Entry DOI: 10.7270/Q27P8Z8W
More data for this
Ligand-Target Pair
Activin receptor type-1B


(Homo sapiens (Human))
BDBM50382317
PNG
(CHEMBL2024684)
Show SMILES Cc1cccc(n1)-n1nccc1-c1ccc2ncn(C)c(=O)c2c1
Show InChI InChI=1S/C18H15N5O/c1-12-4-3-5-17(21-12)23-16(8-9-20-23)13-6-7-15-14(10-13)18(24)22(2)11-19-15/h3-11H,1-2H3
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n/an/a 59n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK4


Bioorg Med Chem Lett 22: 3392-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.013
BindingDB Entry DOI: 10.7270/Q2QC04H9
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM25437
PNG
((trifluoromethyl)benzonitrile, 14 | 4-{[(1R,2S)-2-...)
Show SMILES FC(F)(F)c1cc(O[C@@H]2CCCC[C@H]2C#N)ccc1C#N |r|
Show InChI InChI=1S/C15H13F3N2O/c16-15(17,18)13-7-12(6-5-10(13)8-19)21-14-4-2-1-3-11(14)9-20/h5-7,11,14H,1-4H2/t11-,14+/m0/s1
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n/an/a 60n/an/an/an/a7.44



Pfizer



Assay Description
The competitive radio-ligand binding analysis was performed on human AR extracts from transfected Sf9 cells in the presence or absence of differing c...


J Med Chem 51: 7010-4 (2008)


Article DOI: 10.1021/jm8009316
BindingDB Entry DOI: 10.7270/Q2Z31WZ1
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Mus musculus)
BDBM50382321
PNG
(CHEMBL2024688)
Show SMILES Cc1cnn(c1-c1ccc2nc[nH]c(=O)c2c1)-c1cccc(C)n1
Show InChI InChI=1S/C18H15N5O/c1-11-9-21-23(16-5-3-4-12(2)22-16)17(11)13-6-7-15-14(8-13)18(24)20-10-19-15/h3-10H,1-2H3,(H,19,20,24)
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n/an/a 61n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK5 in mouse NIH/3T3 cells by smad binding element reporter based assay


Bioorg Med Chem Lett 22: 3392-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.013
BindingDB Entry DOI: 10.7270/Q2QC04H9
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50248505
PNG
(3-chloro-4-(o-tolyloxy)benzonitrile | CHEMBL490955)
Show SMILES Cc1ccccc1Oc1ccc(cc1Cl)C#N
Show InChI InChI=1S/C14H10ClNO/c1-10-4-2-3-5-13(10)17-14-7-6-11(9-16)8-12(14)15/h2-8H,1H3
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n/an/a 64n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human cloned androgen receptor expressed in insect Sf9 cell system


Bioorg Med Chem Lett 19: 2176-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.104
BindingDB Entry DOI: 10.7270/Q27P8Z8W
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50278451
PNG
(4-(2-methoxy-4-methylphenoxy)-2-(trifluoromethyl)b...)
Show SMILES COc1cc(C)ccc1Oc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C16H12F3NO2/c1-10-3-6-14(15(7-10)21-2)22-12-5-4-11(9-20)13(8-12)16(17,18)19/h3-8H,1-2H3
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n/an/a 69n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human cloned androgen receptor expressed in insect Sf9 cell system


Bioorg Med Chem Lett 19: 2176-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.104
BindingDB Entry DOI: 10.7270/Q27P8Z8W
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50382326
PNG
(CHEMBL2024692)
Show SMILES CCn1cnc2ccc(cc2c1=O)-c1ccnn1-c1cccc(C)n1
Show InChI InChI=1S/C19H17N5O/c1-3-23-12-20-16-8-7-14(11-15(16)19(23)25)17-9-10-21-24(17)18-6-4-5-13(2)22-18/h4-12H,3H2,1-2H3
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n/an/a 69n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK5


Bioorg Med Chem Lett 22: 3392-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.013
BindingDB Entry DOI: 10.7270/Q2QC04H9
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50278285
PNG
(4-(2-methoxyphenoxy)-2-(trifluoromethyl)benzonitri...)
Show SMILES COc1ccccc1Oc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C15H10F3NO2/c1-20-13-4-2-3-5-14(13)21-11-7-6-10(9-19)12(8-11)15(16,17)18/h2-8H,1H3
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n/an/a 72n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in human MDA-MB-231 cells assessed as inhibition of DHT-induced response


Bioorg Med Chem Lett 19: 2176-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.104
BindingDB Entry DOI: 10.7270/Q27P8Z8W
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Mus musculus)
BDBM50382323
PNG
(CHEMBL2024690)
Show SMILES Cc1cccc(n1)-n1nccc1-c1ccc2nc[nH]c(=O)c2c1
Show InChI InChI=1S/C17H13N5O/c1-11-3-2-4-16(21-11)22-15(7-8-20-22)12-5-6-14-13(9-12)17(23)19-10-18-14/h2-10H,1H3,(H,18,19,23)
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n/an/a 73n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK5 in mouse NIH/3T3 cells by smad binding element reporter based assay


Bioorg Med Chem Lett 22: 3392-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.013
BindingDB Entry DOI: 10.7270/Q2QC04H9
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50278404
PNG
(4-(2-(methylthio)phenoxy)-2-(trifluoromethyl)benzo...)
Show SMILES CSc1ccccc1Oc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C15H10F3NOS/c1-21-14-5-3-2-4-13(14)20-11-7-6-10(9-19)12(8-11)15(16,17)18/h2-8H,1H3
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n/an/a 74n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human cloned androgen receptor expressed in insect Sf9 cell system


Bioorg Med Chem Lett 19: 2176-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.104
BindingDB Entry DOI: 10.7270/Q27P8Z8W
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50278285
PNG
(4-(2-methoxyphenoxy)-2-(trifluoromethyl)benzonitri...)
Show SMILES COc1ccccc1Oc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C15H10F3NO2/c1-20-13-4-2-3-5-14(13)21-11-7-6-10(9-19)12(8-11)15(16,17)18/h2-8H,1H3
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n/an/a 83n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human cloned androgen receptor expressed in insect Sf9 cell system


Bioorg Med Chem Lett 19: 2176-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.104
BindingDB Entry DOI: 10.7270/Q27P8Z8W
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50248552
PNG
(4-(o-tolyloxy)-2-(trifluoromethyl)benzonitrile | C...)
Show SMILES Cc1ccccc1Oc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C15H10F3NO/c1-10-4-2-3-5-14(10)20-12-7-6-11(9-19)13(8-12)15(16,17)18/h2-8H,1H3
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n/an/a 92n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human cloned androgen receptor expressed in insect Sf9 cell system


Bioorg Med Chem Lett 19: 2176-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.104
BindingDB Entry DOI: 10.7270/Q27P8Z8W
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50278403
PNG
(4-(2-hydroxyphenoxy)-2-(trifluoromethyl)benzonitri...)
Show SMILES Oc1ccccc1Oc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C14H8F3NO2/c15-14(16,17)11-7-10(6-5-9(11)8-18)20-13-4-2-1-3-12(13)19/h1-7,19H
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n/an/a 97n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in human MDA-MB-231 cells assessed as inhibition of DHT-induced response


Bioorg Med Chem Lett 19: 2176-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.104
BindingDB Entry DOI: 10.7270/Q27P8Z8W
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50278452
PNG
(4-(2-methoxy-5-methylphenoxy)-2-(trifluoromethyl)b...)
Show SMILES COc1ccc(C)cc1Oc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C16H12F3NO2/c1-10-3-6-14(21-2)15(7-10)22-12-5-4-11(9-20)13(8-12)16(17,18)19/h3-8H,1-2H3
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n/an/a 103n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human cloned androgen receptor expressed in insect Sf9 cell system


Bioorg Med Chem Lett 19: 2176-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.104
BindingDB Entry DOI: 10.7270/Q27P8Z8W
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50278405
PNG
(4-(2-ethoxyphenoxy)-2-(trifluoromethyl)benzonitril...)
Show SMILES CCOc1ccccc1Oc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C16H12F3NO2/c1-2-21-14-5-3-4-6-15(14)22-12-8-7-11(10-20)13(9-12)16(17,18)19/h3-9H,2H2,1H3
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PubMed
n/an/a 120n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human cloned androgen receptor expressed in insect Sf9 cell system


Bioorg Med Chem Lett 19: 2176-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.104
BindingDB Entry DOI: 10.7270/Q27P8Z8W
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50278282
PNG
(4-(2-chlorophenoxy)-2-(trifluoromethyl)benzonitril...)
Show SMILES FC(F)(F)c1cc(Oc2ccccc2Cl)ccc1C#N
Show InChI InChI=1S/C14H7ClF3NO/c15-12-3-1-2-4-13(12)20-10-6-5-9(8-19)11(7-10)14(16,17)18/h1-7H
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Article
PubMed
n/an/a 123n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human cloned androgen receptor expressed in insect Sf9 cell system


Bioorg Med Chem Lett 19: 2176-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.104
BindingDB Entry DOI: 10.7270/Q27P8Z8W
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50278497
PNG
(4-(2-hydroxy-5-methylphenoxy)-2-(trifluoromethyl)b...)
Show SMILES Cc1ccc(O)c(Oc2ccc(C#N)c(c2)C(F)(F)F)c1
Show InChI InChI=1S/C15H10F3NO2/c1-9-2-5-13(20)14(6-9)21-11-4-3-10(8-19)12(7-11)15(16,17)18/h2-7,20H,1H3
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Article
PubMed
n/an/a 127n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human cloned androgen receptor expressed in insect Sf9 cell system


Bioorg Med Chem Lett 19: 2176-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.104
BindingDB Entry DOI: 10.7270/Q27P8Z8W
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Mus musculus)
BDBM50382319
PNG
(CHEMBL2024686)
Show SMILES Cc1cnn(c1-c1ccc2ncn(C)c(=O)c2c1)-c1cccc(C)n1
Show InChI InChI=1S/C19H17N5O/c1-12-10-21-24(17-6-4-5-13(2)22-17)18(12)14-7-8-16-15(9-14)19(25)23(3)11-20-16/h4-11H,1-3H3
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n/an/a 135n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK5 in mouse NIH/3T3 cells by smad binding element reporter based assay


Bioorg Med Chem Lett 22: 3392-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.013
BindingDB Entry DOI: 10.7270/Q2QC04H9
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50278450
PNG
(4-(2,6-dimethoxyphenoxy)-2-(trifluoromethyl)benzon...)
Show SMILES COc1cccc(OC)c1Oc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C16H12F3NO3/c1-21-13-4-3-5-14(22-2)15(13)23-11-7-6-10(9-20)12(8-11)16(17,18)19/h3-8H,1-2H3
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Article
PubMed
n/an/a 157n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human cloned androgen receptor expressed in insect Sf9 cell system


Bioorg Med Chem Lett 19: 2176-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.104
BindingDB Entry DOI: 10.7270/Q27P8Z8W
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50278498
PNG
(4-(2-fluoro-6-methoxyphenoxy)-2-(trifluoromethyl)b...)
Show SMILES COc1cccc(F)c1Oc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C15H9F4NO2/c1-21-13-4-2-3-12(16)14(13)22-10-6-5-9(8-20)11(7-10)15(17,18)19/h2-7H,1H3
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Article
PubMed
n/an/a 158n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human cloned androgen receptor expressed in insect Sf9 cell system


Bioorg Med Chem Lett 19: 2176-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.104
BindingDB Entry DOI: 10.7270/Q27P8Z8W
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50278402
PNG
(4-(mesityloxy)-2-(trifluoromethyl)benzonitrile | C...)
Show SMILES Cc1cc(C)c(Oc2ccc(C#N)c(c2)C(F)(F)F)c(C)c1
Show InChI InChI=1S/C17H14F3NO/c1-10-6-11(2)16(12(3)7-10)22-14-5-4-13(9-21)15(8-14)17(18,19)20/h4-8H,1-3H3
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Article
PubMed
n/an/a 198n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human cloned androgen receptor expressed in insect Sf9 cell system


Bioorg Med Chem Lett 19: 2176-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.104
BindingDB Entry DOI: 10.7270/Q27P8Z8W
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50278354
PNG
(4-(2-propylphenoxy)-2-(trifluoromethyl)benzonitril...)
Show SMILES CCCc1ccccc1Oc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C17H14F3NO/c1-2-5-12-6-3-4-7-16(12)22-14-9-8-13(11-21)15(10-14)17(18,19)20/h3-4,6-10H,2,5H2,1H3
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Article
PubMed
n/an/a 202n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human cloned androgen receptor expressed in insect Sf9 cell system


Bioorg Med Chem Lett 19: 2176-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.104
BindingDB Entry DOI: 10.7270/Q27P8Z8W
More data for this
Ligand-Target Pair
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