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PubMed code 17766112

Compile data set for download or QSAR
Found 22 hits of Enzyme Inhibition Constant Data   
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))
BDBM50220643
PNG
(6-((cyclopropylmethyl)(propyl)amino)-4-(trifluorom...)
Show SMILES CCCN(CC1CC1)c1cc(c(cn1)C#N)C(F)(F)F
Show InChI InChI=1S/C14H16F3N3/c1-2-5-20(9-10-3-4-10)13-6-12(14(15,16)17)11(7-18)8-19-13/h6,8,10H,2-5,9H2,1H3
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Article
PubMed
n/an/a 0.800n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]dihydrotestosterone from human androgen receptor expressed in Sf9 cells


Bioorg Med Chem Lett 17: 5693-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.059
BindingDB Entry DOI: 10.7270/Q2GH9HPQ
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50220635
PNG
(6-(butyl(methyl)amino)-4-(trifluoromethyl)nicotino...)
Show SMILES CCCCN(C)c1cc(c(cn1)C#N)C(F)(F)F
Show InChI InChI=1S/C12H14F3N3/c1-3-4-5-18(2)11-6-10(12(13,14)15)9(7-16)8-17-11/h6,8H,3-5H2,1-2H3
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PubMed
n/an/a 3.80n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]dihydrotestosterone from human androgen receptor expressed in Sf9 cells


Bioorg Med Chem Lett 17: 5693-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.059
BindingDB Entry DOI: 10.7270/Q2GH9HPQ
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50220642
PNG
(6-(sec-butyl(methyl)amino)-4-(trifluoromethyl)nico...)
Show SMILES CCC(C)N(C)c1cc(c(cn1)C#N)C(F)(F)F |w:2.2|
Show InChI InChI=1S/C12H14F3N3/c1-4-8(2)18(3)11-5-10(12(13,14)15)9(6-16)7-17-11/h5,7-8H,4H2,1-3H3
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PubMed
n/an/a 7n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]dihydrotestosterone from human androgen receptor expressed in Sf9 cells


Bioorg Med Chem Lett 17: 5693-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.059
BindingDB Entry DOI: 10.7270/Q2GH9HPQ
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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PubMed
n/an/a 15.9n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]dihydrotestosterone from human androgen receptor expressed in Sf9 cells


Bioorg Med Chem Lett 17: 5693-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.059
BindingDB Entry DOI: 10.7270/Q2GH9HPQ
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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PubMed
n/an/a 20n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]dihydrotestosterone from human androgen receptor expressed in Sf9 cells


Bioorg Med Chem Lett 17: 5693-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.059
BindingDB Entry DOI: 10.7270/Q2GH9HPQ
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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Article
PubMed
n/an/a 31.1n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in MDA-MB-453 cells


Bioorg Med Chem Lett 17: 5693-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.059
BindingDB Entry DOI: 10.7270/Q2GH9HPQ
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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PubMed
n/an/a 45n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in MDA-MB-453 cells


Bioorg Med Chem Lett 17: 5693-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.059
BindingDB Entry DOI: 10.7270/Q2GH9HPQ
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50220640
PNG
(6-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)nico...)
Show SMILES CC1CCN(CC1)c1cc(c(cn1)C#N)C(F)(F)F
Show InChI InChI=1S/C13H14F3N3/c1-9-2-4-19(5-3-9)12-6-11(13(14,15)16)10(7-17)8-18-12/h6,8-9H,2-5H2,1H3
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n/an/a 73n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]dihydrotestosterone from human androgen receptor expressed in Sf9 cells


Bioorg Med Chem Lett 17: 5693-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.059
BindingDB Entry DOI: 10.7270/Q2GH9HPQ
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50220644
PNG
(6-(dipropylamino)-4-(trifluoromethyl)nicotinonitri...)
Show SMILES CCCN(CCC)c1cc(c(cn1)C#N)C(F)(F)F
Show InChI InChI=1S/C13H16F3N3/c1-3-5-19(6-4-2)12-7-11(13(14,15)16)10(8-17)9-18-12/h7,9H,3-6H2,1-2H3
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Article
PubMed
n/an/a 78n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]dihydrotestosterone from human androgen receptor expressed in Sf9 cells


Bioorg Med Chem Lett 17: 5693-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.059
BindingDB Entry DOI: 10.7270/Q2GH9HPQ
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50220639
PNG
(6-(methyl(1-phenylethyl)amino)-4-(trifluoromethyl)...)
Show SMILES CC(N(C)c1cc(c(cn1)C#N)C(F)(F)F)c1ccccc1 |w:1.0|
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
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PubMed
n/an/a 123n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]dihydrotestosterone from human androgen receptor expressed in Sf9 cells


Bioorg Med Chem Lett 17: 5693-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.059
BindingDB Entry DOI: 10.7270/Q2GH9HPQ
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50220640
PNG
(6-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)nico...)
Show SMILES CC1CCN(CC1)c1cc(c(cn1)C#N)C(F)(F)F
Show InChI InChI=1S/C13H14F3N3/c1-9-2-4-19(5-3-9)12-6-11(13(14,15)16)10(7-17)8-18-12/h6,8-9H,2-5H2,1H3
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n/an/a 136n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in MDA-MB-453 cells


Bioorg Med Chem Lett 17: 5693-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.059
BindingDB Entry DOI: 10.7270/Q2GH9HPQ
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50220638
PNG
(6-(octahydroisoquinolin-2(1H)-yl)-4-(trifluorometh...)
Show SMILES FC(F)(F)c1cc(ncc1C#N)N1CCC2CCCCC2C1 |w:15.15,20.22|
Show InChI InChI=1S/C16H18F3N3/c17-16(18,19)14-7-15(21-9-13(14)8-20)22-6-5-11-3-1-2-4-12(11)10-22/h7,9,11-12H,1-6,10H2
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n/an/a 169n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]dihydrotestosterone from human androgen receptor expressed in Sf9 cells


Bioorg Med Chem Lett 17: 5693-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.059
BindingDB Entry DOI: 10.7270/Q2GH9HPQ
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50220641
PNG
(6-(piperidin-1-yl)-4-(trifluoromethyl)nicotinonitr...)
Show SMILES FC(F)(F)c1cc(ncc1C#N)N1CCCCC1
Show InChI InChI=1S/C12H12F3N3/c13-12(14,15)10-6-11(17-8-9(10)7-16)18-4-2-1-3-5-18/h6,8H,1-5H2
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n/an/a 209n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]dihydrotestosterone from human androgen receptor expressed in Sf9 cells


Bioorg Med Chem Lett 17: 5693-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.059
BindingDB Entry DOI: 10.7270/Q2GH9HPQ
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50220639
PNG
(6-(methyl(1-phenylethyl)amino)-4-(trifluoromethyl)...)
Show SMILES CC(N(C)c1cc(c(cn1)C#N)C(F)(F)F)c1ccccc1 |w:1.0|
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
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n/an/a 229n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in MDA-MB-453 cells


Bioorg Med Chem Lett 17: 5693-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.059
BindingDB Entry DOI: 10.7270/Q2GH9HPQ
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50220638
PNG
(6-(octahydroisoquinolin-2(1H)-yl)-4-(trifluorometh...)
Show SMILES FC(F)(F)c1cc(ncc1C#N)N1CCC2CCCCC2C1 |w:15.15,20.22|
Show InChI InChI=1S/C16H18F3N3/c17-16(18,19)14-7-15(21-9-13(14)8-20)22-6-5-11-3-1-2-4-12(11)10-22/h7,9,11-12H,1-6,10H2
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n/an/a 260n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in MDA-MB-453 cells


Bioorg Med Chem Lett 17: 5693-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.059
BindingDB Entry DOI: 10.7270/Q2GH9HPQ
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50220641
PNG
(6-(piperidin-1-yl)-4-(trifluoromethyl)nicotinonitr...)
Show SMILES FC(F)(F)c1cc(ncc1C#N)N1CCCCC1
Show InChI InChI=1S/C12H12F3N3/c13-12(14,15)10-6-11(17-8-9(10)7-16)18-4-2-1-3-5-18/h6,8H,1-5H2
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n/an/a 422n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in MDA-MB-453 cells


Bioorg Med Chem Lett 17: 5693-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.059
BindingDB Entry DOI: 10.7270/Q2GH9HPQ
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50220642
PNG
(6-(sec-butyl(methyl)amino)-4-(trifluoromethyl)nico...)
Show SMILES CCC(C)N(C)c1cc(c(cn1)C#N)C(F)(F)F |w:2.2|
Show InChI InChI=1S/C12H14F3N3/c1-4-8(2)18(3)11-5-10(12(13,14)15)9(6-16)7-17-11/h5,7-8H,4H2,1-3H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in MDA-MB-453 cells


Bioorg Med Chem Lett 17: 5693-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.059
BindingDB Entry DOI: 10.7270/Q2GH9HPQ
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50220635
PNG
(6-(butyl(methyl)amino)-4-(trifluoromethyl)nicotino...)
Show SMILES CCCCN(C)c1cc(c(cn1)C#N)C(F)(F)F
Show InChI InChI=1S/C12H14F3N3/c1-3-4-5-18(2)11-6-10(12(13,14)15)9(7-16)8-17-11/h6,8H,3-5H2,1-2H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in MDA-MB-453 cells


Bioorg Med Chem Lett 17: 5693-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.059
BindingDB Entry DOI: 10.7270/Q2GH9HPQ
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50220644
PNG
(6-(dipropylamino)-4-(trifluoromethyl)nicotinonitri...)
Show SMILES CCCN(CCC)c1cc(c(cn1)C#N)C(F)(F)F
Show InChI InChI=1S/C13H16F3N3/c1-3-5-19(6-4-2)12-7-11(13(14,15)16)10(8-17)9-18-12/h7,9H,3-6H2,1-2H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in MDA-MB-453 cells


Bioorg Med Chem Lett 17: 5693-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.059
BindingDB Entry DOI: 10.7270/Q2GH9HPQ
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50220643
PNG
(6-((cyclopropylmethyl)(propyl)amino)-4-(trifluorom...)
Show SMILES CCCN(CC1CC1)c1cc(c(cn1)C#N)C(F)(F)F
Show InChI InChI=1S/C14H16F3N3/c1-2-5-20(9-10-3-4-10)13-6-12(14(15,16)17)11(7-18)8-19-13/h6,8,10H,2-5,9H2,1H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in MDA-MB-453 cells


Bioorg Med Chem Lett 17: 5693-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.059
BindingDB Entry DOI: 10.7270/Q2GH9HPQ
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50220637
PNG
((S)-6-(methyl(1-phenylethyl)amino)-4-(trifluoromet...)
Show SMILES C[C@H](N(C)c1cc(c(cn1)C#N)C(F)(F)F)c1ccccc1
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-/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]dihydrotestosterone from human androgen receptor expressed in Sf9 cells


Bioorg Med Chem Lett 17: 5693-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.059
BindingDB Entry DOI: 10.7270/Q2GH9HPQ
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50220636
PNG
((R)-6-(1-phenylethylamino)-4-(trifluoromethyl)nico...)
Show SMILES C[C@@H](Nc1cc(c(cn1)C#N)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C15H12F3N3/c1-10(11-5-3-2-4-6-11)21-14-7-13(15(16,17)18)12(8-19)9-20-14/h2-7,9-10H,1H3,(H,20,21)/t10-/m1/s1
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 4.93E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]dihydrotestosterone from human androgen receptor expressed in Sf9 cells


Bioorg Med Chem Lett 17: 5693-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.059
BindingDB Entry DOI: 10.7270/Q2GH9HPQ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%