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Compile Data Set for Download or QSAR

Found 77 hits with Last Name = 'vishwanathan' and Initial = 'k'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50257270
PNG
(CHEMBL4088158)
Show SMILES Cn1c(ccc1-c1ccc(O)cc1Cl)C#N
Show InChI InChI=1S/C12H9ClN2O/c1-15-8(7-14)2-5-12(15)10-4-3-9(16)6-11(10)13/h2-6,16H,1H3
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n/an/a 1.40n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human androgen receptor expressed in African green monkey CV-1 cells after 17 hrs by ARE luciferase reporter gene assay


J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50257265
PNG
(CHEMBL4095364)
Show SMILES Cn1c(ccc1-c1c(F)cc(O)cc1F)C#N
Show InChI InChI=1S/C12H8F2N2O/c1-16-7(6-15)2-3-11(16)12-9(13)4-8(17)5-10(12)14/h2-5,17H,1H3
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n/an/a 1.60n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human androgen receptor expressed in African green monkey CV-1 cells after 17 hrs by ARE luciferase reporter gene assay


J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50257275
PNG
(CHEMBL4065842)
Show SMILES Cc1cc(ccc1O)-c1ccc(C#N)n1C
Show InChI InChI=1S/C13H12N2O/c1-9-7-10(3-6-13(9)16)12-5-4-11(8-14)15(12)2/h3-7,16H,1-2H3
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n/an/a 2.90n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from human androgen receptor expressed in African green monkey COS cells after 3.5 hrs by scintillation and luminescen...


J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50257272
PNG
(CHEMBL4095883)
Show SMILES Cn1c(ccc1-c1ccc(O)cc1F)C#N
Show InChI InChI=1S/C12H9FN2O/c1-15-8(7-14)2-5-12(15)10-4-3-9(16)6-11(10)13/h2-6,16H,1H3
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n/an/a 3.20n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Androgenic activity at human androgen receptor expressed in African green monkey CV-1 cells assessed as increase in interaction between VP16-fused AR...


J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50257274
PNG
(CHEMBL4079377)
Show SMILES Cc1cc(O)ccc1-c1ccc(C#N)n1C
Show InChI InChI=1S/C13H12N2O/c1-9-7-11(16)4-5-12(9)13-6-3-10(8-14)15(13)2/h3-7,16H,1-2H3
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n/an/a 3.70n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from human androgen receptor expressed in African green monkey COS cells after 3.5 hrs by scintillation and luminescen...


J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50257284
PNG
(CHEMBL4072730)
Show SMILES Cc1c(O)ccc(-c2ccc(C#N)n2C)c1C
Show InChI InChI=1S/C14H14N2O/c1-9-10(2)14(17)7-5-12(9)13-6-4-11(8-15)16(13)3/h4-7,17H,1-3H3
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n/an/a 4.90n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Androgenic activity at human androgen receptor expressed in African green monkey CV-1 cells assessed as increase in interaction between VP16-fused AR...


J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50257276
PNG
(CHEMBL4087256)
Show SMILES Cn1c(ccc1-c1ccc(O)cc1)C#N
Show InChI InChI=1S/C12H10N2O/c1-14-10(8-13)4-7-12(14)9-2-5-11(15)6-3-9/h2-7,15H,1H3
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n/an/a 6.30n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from human androgen receptor expressed in African green monkey COS cells after 3.5 hrs by scintillation and luminescen...


J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50257315
PNG
(CHEMBL4066319)
Show SMILES Cn1c(ccc1-c1ccc(O)cc1C#N)C#N
Show InChI InChI=1S/C13H9N3O/c1-16-10(8-15)2-5-13(16)12-4-3-11(17)6-9(12)7-14/h2-6,17H,1H3
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n/an/a 6.80n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Androgenic activity at human androgen receptor expressed in African green monkey CV-1 cells assessed as increase in interaction between VP16-fused AR...


J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50257314
PNG
(CHEMBL4103641)
Show SMILES CCc1cc(ccc1O)-c1ccc(C#N)n1C
Show InChI InChI=1S/C14H14N2O/c1-3-10-8-11(4-7-14(10)17)13-6-5-12(9-15)16(13)2/h4-8,17H,3H2,1-2H3
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n/an/a 7.10n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from human androgen receptor expressed in African green monkey COS cells after 3.5 hrs by scintillation and luminescen...


J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50257313
PNG
(CHEMBL4061510)
Show SMILES Cn1c(ccc1-c1ccc(O)c2CCCc12)C#N
Show InChI InChI=1S/C15H14N2O/c1-17-10(9-16)5-7-14(17)12-6-8-15(18)13-4-2-3-11(12)13/h5-8,18H,2-4H2,1H3
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n/an/a 8.10n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human androgen receptor expressed in African green monkey CV-1 cells after 17 hrs by ARE luciferase reporter gene assay


J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50257319
PNG
(CHEMBL4088572)
Show SMILES Cn1c(cc(c1C#N)C(F)(F)F)-c1ccc(O)cc1
Show InChI InChI=1S/C13H9F3N2O/c1-18-11(8-2-4-9(19)5-3-8)6-10(12(18)7-17)13(14,15)16/h2-6,19H,1H3
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n/an/a 11n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from human androgen receptor expressed in African green monkey COS cells after 3.5 hrs by scintillation and luminescen...


J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50257269
PNG
(CHEMBL4073399)
Show SMILES Cn1c(ccc1-c1ccc(O)cc1C(F)(F)F)C#N
Show InChI InChI=1S/C13H9F3N2O/c1-18-8(7-17)2-5-12(18)10-4-3-9(19)6-11(10)13(14,15)16/h2-6,19H,1H3
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n/an/a 15n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from human androgen receptor expressed in African green monkey COS cells after 3.5 hrs by scintillation and luminescen...


J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50257278
PNG
(CHEMBL4074555)
Show SMILES Cn1c(ccc1-c1c(Cl)cc(O)cc1Cl)C#N
Show InChI InChI=1S/C12H8Cl2N2O/c1-16-7(6-15)2-3-11(16)12-9(13)4-8(17)5-10(12)14/h2-5,17H,1H3
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n/an/a 29n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Androgenic activity at human androgen receptor expressed in African green monkey CV-1 cells assessed as increase in interaction between VP16-fused AR...


J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50257264
PNG
(CHEMBL4069026)
Show SMILES Cn1c(ccc1-c1ccc(O)c(F)c1F)C#N
Show InChI InChI=1S/C12H8F2N2O/c1-16-7(6-15)2-4-9(16)8-3-5-10(17)12(14)11(8)13/h2-5,17H,1H3
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n/an/a 37n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Androgenic activity at human androgen receptor expressed in African green monkey CV-1 cells assessed as increase in interaction between VP16-fused AR...


J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50257321
PNG
(CHEMBL4062016)
Show SMILES Cn1c(ccc1-c1ccc(O)c(Cl)c1)C#N
Show InChI InChI=1S/C12H9ClN2O/c1-15-9(7-14)3-4-11(15)8-2-5-12(16)10(13)6-8/h2-6,16H,1H3
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n/an/a 48n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Androgenic activity at human androgen receptor expressed in African green monkey CV-1 cells assessed as increase in interaction between VP16-fused AR...


J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50257273
PNG
(CHEMBL4068562)
Show SMILES Cn1c(ccc1-c1ccc(O)c(F)c1)C#N
Show InChI InChI=1S/C12H9FN2O/c1-15-9(7-14)3-4-11(15)8-2-5-12(16)10(13)6-8/h2-6,16H,1H3
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n/an/a 59n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from human androgen receptor expressed in African green monkey COS cells after 3.5 hrs by scintillation and luminescen...


J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50257268
PNG
(CHEMBL4100251)
Show SMILES Cn1c(ccc1-c1ccc(O)cc1[N+]([O-])=O)C#N
Show InChI InChI=1S/C12H9N3O3/c1-14-8(7-13)2-5-11(14)10-4-3-9(16)6-12(10)15(17)18/h2-6,16H,1H3
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n/an/a 65n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from human androgen receptor expressed in African green monkey COS cells after 3.5 hrs by scintillation and luminescen...


J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50257263
PNG
(CHEMBL4104046)
Show SMILES Cn1c(ccc1-c1c(F)cc(O)cc1C#N)C#N
Show InChI InChI=1S/C13H8FN3O/c1-17-9(7-16)2-3-12(17)13-8(6-15)4-10(18)5-11(13)14/h2-5,18H,1H3
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n/an/a 67n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from human androgen receptor expressed in African green monkey COS cells after 3.5 hrs by scintillation and luminescen...


J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50257324
PNG
(CHEMBL4091403)
Show SMILES Cn1c(ccc1-c1cc(F)c(O)cc1F)C#N
Show InChI InChI=1S/C12H8F2N2O/c1-16-7(6-15)2-3-11(16)8-4-10(14)12(17)5-9(8)13/h2-5,17H,1H3
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n/an/a 86n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of dofetilide binding to human ERG


J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50257311
PNG
(CHEMBL4060340)
Show SMILES CCn1c(ccc1-c1ccc(O)cc1F)C#N
Show InChI InChI=1S/C13H11FN2O/c1-2-16-9(8-15)3-6-13(16)11-5-4-10(17)7-12(11)14/h3-7,17H,2H2,1H3
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n/an/a 127n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human androgen receptor expressed in African green monkey CV-1 cells after 17 hrs by ARE luciferase reporter gene assay


J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50257310
PNG
(CHEMBL4073869)
Show SMILES Cn1c(cc(Br)c1-c1ccc(O)cc1)C#N
Show InChI InChI=1S/C12H9BrN2O/c1-15-9(7-14)6-11(13)12(15)8-2-4-10(16)5-3-8/h2-6,16H,1H3
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n/an/a 167n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from human androgen receptor expressed in African green monkey COS cells after 3.5 hrs by scintillation and luminescen...


J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50257267
PNG
(CHEMBL4087674)
Show SMILES COC(=O)c1cc(O)ccc1-c1ccc(C#N)n1C
Show InChI InChI=1S/C14H12N2O3/c1-16-9(8-15)3-6-13(16)11-5-4-10(17)7-12(11)14(18)19-2/h3-7,17H,1-2H3
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n/an/a 330n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Androgenic activity at human androgen receptor expressed in African green monkey CV-1 cells assessed as increase in interaction between VP16-fused AR...


J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50257266
PNG
(CHEMBL4074927)
Show SMILES Cn1c(ccc1-c1ccc(O)cc1S(C)(=O)=O)C#N
Show InChI InChI=1S/C13H12N2O3S/c1-15-9(8-14)3-6-12(15)11-5-4-10(16)7-13(11)19(2,17)18/h3-7,16H,1-2H3
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n/an/a 1.47E+3n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from human androgen receptor expressed in African green monkey COS cells after 3.5 hrs by scintillation and luminescen...


J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50257312
PNG
(CHEMBL4080698)
Show SMILES Oc1ccc(-c2ccc(C#N)n2CC#N)c(F)c1
Show InChI InChI=1S/C13H8FN3O/c14-12-7-10(18)2-3-11(12)13-4-1-9(8-16)17(13)6-5-15/h1-4,7,18H,6H2
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n/an/a 6.03E+3n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from human androgen receptor expressed in African green monkey COS cells after 3.5 hrs by scintillation and luminescen...


J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50257320
PNG
(CHEMBL4098744)
Show SMILES OC(=O)Cn1c(ccc1-c1ccc(O)cc1F)C#N
Show InChI InChI=1S/C13H9FN2O3/c14-11-5-9(17)2-3-10(11)12-4-1-8(6-15)16(12)7-13(18)19/h1-5,17H,7H2,(H,18,19)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from human androgen receptor expressed in African green monkey COS cells after 3.5 hrs by scintillation and luminescen...


J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(Homo sapiens (Human))
BDBM50257272
PNG
(CHEMBL4095883)
Show SMILES Cn1c(ccc1-c1ccc(O)cc1F)C#N
Show InChI InChI=1S/C12H9FN2O/c1-15-8(7-14)2-5-12(15)10-4-3-9(16)6-11(10)13/h2-6,16H,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from human androgen receptor expressed in African green monkey COS cells after 3.5 hrs by scintillation and luminescen...


J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50257313
PNG
(CHEMBL4061510)
Show SMILES Cn1c(ccc1-c1ccc(O)c2CCCc12)C#N
Show InChI InChI=1S/C15H14N2O/c1-17-10(9-16)5-7-14(17)12-6-8-15(18)13-4-2-3-11(12)13/h5-8,18H,2-4H2,1H3
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n/an/an/an/a 18n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human androgen receptor expressed in African green monkey CV-1 cells after 17 hrs by ARE luciferase reporter gene assay


J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50257272
PNG
(CHEMBL4095883)
Show SMILES Cn1c(ccc1-c1ccc(O)cc1F)C#N
Show InChI InChI=1S/C12H9FN2O/c1-15-8(7-14)2-5-12(15)10-4-3-9(16)6-11(10)13/h2-6,16H,1H3
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n/an/an/an/a 0.340n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human androgen receptor expressed in African green monkey CV-1 cells after 17 hrs by ARE luciferase reporter gene assay


J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen Receptor


(Homo sapiens (Human))
BDBM50257270
PNG
(CHEMBL4088158)
Show SMILES Cn1c(ccc1-c1ccc(O)cc1Cl)C#N
Show InChI InChI=1S/C12H9ClN2O/c1-15-8(7-14)2-5-12(15)10-4-3-9(16)6-11(10)13/h2-6,16H,1H3
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n/an/an/an/a 1.70n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human androgen receptor expressed in African green monkey CV-1 cells after 17 hrs by ARE luciferase reporter gene assay


J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50257315
PNG
(CHEMBL4066319)
Show SMILES Cn1c(ccc1-c1ccc(O)cc1C#N)C#N
Show InChI InChI=1S/C13H9N3O/c1-16-10(8-15)2-5-13(16)12-4-3-11(17)6-9(12)7-14/h2-6,17H,1H3
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n/an/an/an/a 30n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human androgen receptor expressed in African green monkey CV-1 cells after 17 hrs by ARE luciferase reporter gene assay


J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50257265
PNG
(CHEMBL4095364)
Show SMILES Cn1c(ccc1-c1c(F)cc(O)cc1F)C#N
Show InChI InChI=1S/C12H8F2N2O/c1-16-7(6-15)2-3-11(16)12-9(13)4-8(17)5-10(12)14/h2-5,17H,1H3
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n/an/an/an/a 0.140n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human androgen receptor expressed in African green monkey CV-1 cells after 17 hrs by ARE luciferase reporter gene assay


J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50257264
PNG
(CHEMBL4069026)
Show SMILES Cn1c(ccc1-c1ccc(O)c(F)c1F)C#N
Show InChI InChI=1S/C12H8F2N2O/c1-16-7(6-15)2-4-9(16)8-3-5-10(17)12(14)11(8)13/h2-5,17H,1H3
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n/an/an/an/a 980n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human androgen receptor expressed in African green monkey CV-1 cells after 17 hrs by ARE luciferase reporter gene assay


J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50257278
PNG
(CHEMBL4074555)
Show SMILES Cn1c(ccc1-c1c(Cl)cc(O)cc1Cl)C#N
Show InChI InChI=1S/C12H8Cl2N2O/c1-16-7(6-15)2-3-11(16)12-9(13)4-8(17)5-10(12)14/h2-5,17H,1H3
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n/an/an/an/a 0.170n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human androgen receptor expressed in African green monkey CV-1 cells after 17 hrs by ARE luciferase reporter gene assay


J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50257311
PNG
(CHEMBL4060340)
Show SMILES CCn1c(ccc1-c1ccc(O)cc1F)C#N
Show InChI InChI=1S/C13H11FN2O/c1-2-16-9(8-15)3-6-13(16)11-5-4-10(17)7-12(11)14/h3-7,17H,2H2,1H3
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n/an/an/an/a 1.14E+3n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human androgen receptor expressed in African green monkey CV-1 cells after 17 hrs by ARE luciferase reporter gene assay


J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50257320
PNG
(CHEMBL4098744)
Show SMILES OC(=O)Cn1c(ccc1-c1ccc(O)cc1F)C#N
Show InChI InChI=1S/C13H9FN2O3/c14-11-5-9(17)2-3-10(11)12-4-1-8(6-15)16(12)7-13(18)19/h1-5,17H,7H2,(H,18,19)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human androgen receptor expressed in African green monkey CV-1 cells after 17 hrs by ARE luciferase reporter gene assay


J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50257274
PNG
(CHEMBL4079377)
Show SMILES Cc1cc(O)ccc1-c1ccc(C#N)n1C
Show InChI InChI=1S/C13H12N2O/c1-9-7-11(16)4-5-12(9)13-6-3-10(8-14)15(13)2/h3-7,16H,1-2H3
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n/an/an/an/a 1.55E+3n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Androgenic activity at human androgen receptor expressed in African green monkey CV-1 cells assessed as increase in interaction between VP16-fused AR...


J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50257321
PNG
(CHEMBL4062016)
Show SMILES Cn1c(ccc1-c1ccc(O)c(Cl)c1)C#N
Show InChI InChI=1S/C12H9ClN2O/c1-15-9(7-14)3-4-11(15)8-2-5-12(16)10(13)6-8/h2-6,16H,1H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Androgenic activity at human androgen receptor expressed in African green monkey CV-1 cells assessed as increase in interaction between VP16-fused AR...


J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50257310
PNG
(CHEMBL4073869)
Show SMILES Cn1c(cc(Br)c1-c1ccc(O)cc1)C#N
Show InChI InChI=1S/C12H9BrN2O/c1-15-9(7-14)6-11(13)12(15)8-2-4-10(16)5-3-8/h2-6,16H,1H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Androgenic activity at human androgen receptor expressed in African green monkey CV-1 cells assessed as increase in interaction between VP16-fused AR...


J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50257319
PNG
(CHEMBL4088572)
Show SMILES Cn1c(cc(c1C#N)C(F)(F)F)-c1ccc(O)cc1
Show InChI InChI=1S/C13H9F3N2O/c1-18-11(8-2-4-9(19)5-3-8)6-10(12(18)7-17)13(14,15)16/h2-6,19H,1H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Androgenic activity at human androgen receptor expressed in African green monkey CV-1 cells assessed as increase in interaction between VP16-fused AR...


J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM8885
PNG
((1S,2R,10R,11S,14S,15S)-14-hydroxy-2,15-dimethylte...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O
Show InChI InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1
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n/an/an/an/a 1.10n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Androgenic activity at human androgen receptor expressed in African green monkey CV-1 cells assessed as increase in interaction between VP16-fused AR...


J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen Receptor


(Homo sapiens (Human))
BDBM50257273
PNG
(CHEMBL4068562)
Show SMILES Cn1c(ccc1-c1ccc(O)c(F)c1)C#N
Show InChI InChI=1S/C12H9FN2O/c1-15-9(7-14)3-4-11(15)8-2-5-12(16)10(13)6-8/h2-6,16H,1H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Androgenic activity at human androgen receptor expressed in African green monkey CV-1 cells assessed as increase in interaction between VP16-fused AR...


J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50257267
PNG
(CHEMBL4087674)
Show SMILES COC(=O)c1cc(O)ccc1-c1ccc(C#N)n1C
Show InChI InChI=1S/C14H12N2O3/c1-16-9(8-15)3-6-13(16)11-5-4-10(17)7-12(11)14(18)19-2/h3-7,17H,1-2H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Androgenic activity at human androgen receptor expressed in African green monkey CV-1 cells assessed as increase in interaction between VP16-fused AR...


J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50257324
PNG
(CHEMBL4091403)
Show SMILES Cn1c(ccc1-c1cc(F)c(O)cc1F)C#N
Show InChI InChI=1S/C12H8F2N2O/c1-16-7(6-15)2-3-11(16)8-4-10(14)12(17)5-9(8)13/h2-5,17H,1H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Androgenic activity at human androgen receptor expressed in African green monkey CV-1 cells assessed as increase in interaction between VP16-fused AR...


J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50257284
PNG
(CHEMBL4072730)
Show SMILES Cc1c(O)ccc(-c2ccc(C#N)n2C)c1C
Show InChI InChI=1S/C14H14N2O/c1-9-10(2)14(17)7-5-12(9)13-6-4-11(8-15)16(13)3/h4-7,17H,1-3H3
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n/an/an/an/a 35n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human androgen receptor expressed in African green monkey CV-1 cells after 17 hrs by ARE luciferase reporter gene assay


J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50257312
PNG
(CHEMBL4080698)
Show SMILES Oc1ccc(-c2ccc(C#N)n2CC#N)c(F)c1
Show InChI InChI=1S/C13H8FN3O/c14-12-7-10(18)2-3-11(12)13-4-1-9(8-16)17(13)6-5-15/h1-4,7,18H,6H2
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n/an/an/an/a>1.00E+4n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human androgen receptor expressed in African green monkey CV-1 cells after 17 hrs by ARE luciferase reporter gene assay


J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50257266
PNG
(CHEMBL4074927)
Show SMILES Cn1c(ccc1-c1ccc(O)cc1S(C)(=O)=O)C#N
Show InChI InChI=1S/C13H12N2O3S/c1-15-9(8-14)3-6-12(15)11-5-4-10(16)7-13(11)19(2,17)18/h3-7,16H,1-2H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from human androgen receptor expressed in African green monkey COS cells after 3.5 hrs by scintillation and luminescen...


J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50257263
PNG
(CHEMBL4104046)
Show SMILES Cn1c(ccc1-c1c(F)cc(O)cc1C#N)C#N
Show InChI InChI=1S/C13H8FN3O/c1-17-9(7-16)2-3-12(17)13-8(6-15)4-10(18)5-11(13)14/h2-5,18H,1H3
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n/an/an/an/a 29n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from human androgen receptor expressed in African green monkey COS cells after 3.5 hrs by scintillation and luminescen...


J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50257269
PNG
(CHEMBL4073399)
Show SMILES Cn1c(ccc1-c1ccc(O)cc1C(F)(F)F)C#N
Show InChI InChI=1S/C13H9F3N2O/c1-18-8(7-17)2-5-12(18)10-4-3-9(19)6-11(10)13(14,15)16/h2-6,19H,1H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from human androgen receptor expressed in African green monkey COS cells after 3.5 hrs by scintillation and luminescen...


J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50257275
PNG
(CHEMBL4065842)
Show SMILES Cc1cc(ccc1O)-c1ccc(C#N)n1C
Show InChI InChI=1S/C13H12N2O/c1-9-7-10(3-6-13(9)16)12-5-4-11(8-14)15(12)2/h3-7,16H,1-2H3
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n/an/an/an/a 37n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from human androgen receptor expressed in African green monkey COS cells after 3.5 hrs by scintillation and luminescen...


J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50257314
PNG
(CHEMBL4103641)
Show SMILES CCc1cc(ccc1O)-c1ccc(C#N)n1C
Show InChI InChI=1S/C14H14N2O/c1-3-10-8-11(4-7-14(10)17)13-6-5-12(9-15)16(13)2/h4-8,17H,3H2,1-2H3
PDB
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n/an/an/an/a 391n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from human androgen receptor expressed in African green monkey COS cells after 3.5 hrs by scintillation and luminescen...


J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
More data for this
Ligand-Target Pair
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