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Compile Data Set for Download or QSAR

Found 236 hits with Last Name = 'arienti' and Initial = 'kl'   
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))
BDBM18161
PNG
((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C |r|
Show InChI InChI=1S/C19H30O2/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/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1
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0.300 -56.5n/an/a 5.70n/an/a7.437



Ligand Pharmaceuticals Inc.



Assay Description
The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...


J Med Chem 50: 2486-96 (2007)


Article DOI: 10.1021/jm061329j
BindingDB Entry DOI: 10.7270/Q20R9MNK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histamine H4 receptor


(Homo sapiens (Human))
BDBM22564
PNG
(2-arylbenzimidazole derivative, 10 | 2-{2-chloro-4...)
Show SMILES CN1CCCN(CCCOc2ccc(-c3nc4c(C)cc(C)cc4[nH]3)c(Cl)c2)CC1
Show InChI InChI=1S/C24H31ClN4O/c1-17-14-18(2)23-22(15-17)26-24(27-23)20-7-6-19(16-21(20)25)30-13-5-10-29-9-4-8-28(3)11-12-29/h6-7,14-16H,4-5,8-13H2,1-3H3,(H,26,27)
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1 -51.4n/an/an/an/an/a7.525



Johnson & Johnson Pharmaceutical



Assay Description
The Ki values were calculated based on an experimentally determined appropriate Kd value according to Cheng and Prusoff.


Bioorg Med Chem Lett 16: 6043-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.117
BindingDB Entry DOI: 10.7270/Q20P0XB5
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM18193
PNG
(1-ethyl-9-(trifluoromethyl)-1H,2H,3H,6H,7H-quinoli...)
Show SMILES CCN1CCOc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F
Show InChI InChI=1S/C14H13F3N2O2/c1-2-19-3-4-21-12-7-10-8(5-11(12)19)9(14(15,16)17)6-13(20)18-10/h5-7H,2-4H2,1H3,(H,18,20)
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1.20 -53.0n/an/a 6.40n/an/a7.437



Ligand Pharmaceuticals Inc.



Assay Description
The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...


J Med Chem 50: 2486-96 (2007)


Article DOI: 10.1021/jm061329j
BindingDB Entry DOI: 10.7270/Q20R9MNK
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM18198
PNG
(1-(cyclopropylmethyl)-9-(trifluoromethyl)-1H,2H,3H...)
Show SMILES FC(F)(F)c1cc(=O)[nH]c2cc3OCCN(CC4CC4)c3cc12
Show InChI InChI=1S/C16H15F3N2O2/c17-16(18,19)11-6-15(22)20-12-7-14-13(5-10(11)12)21(3-4-23-14)8-9-1-2-9/h5-7,9H,1-4,8H2,(H,20,22)
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1.60 -52.2n/an/a 1.40n/an/a7.437



Ligand Pharmaceuticals Inc.



Assay Description
The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...


J Med Chem 50: 2486-96 (2007)


Article DOI: 10.1021/jm061329j
BindingDB Entry DOI: 10.7270/Q20R9MNK
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50077104
PNG
(CHEMBL431493 | Cis-(4aR,12bS)-11-Trifluoromethyl-2...)
Show SMILES FC(F)(F)c1cc(=O)[nH]c2cc3NC[C@@H]4CCCC[C@@H]4c3cc12
Show InChI InChI=1S/C17H17F3N2O/c18-17(19,20)13-6-16(23)22-15-7-14-11(5-12(13)15)10-4-2-1-3-9(10)8-21-14/h5-7,9-10,21H,1-4,8H2,(H,22,23)/t9-,10-/m0/s1
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2n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 9: 1335-40 (1999)


BindingDB Entry DOI: 10.7270/Q2JM2B4G
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM18161
PNG
((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C |r|
Show InChI InChI=1S/C19H30O2/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/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1
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2n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Agonist activity to the human androgen receptor (hAR) in CV-1 cells


Bioorg Med Chem Lett 9: 1335-40 (1999)


BindingDB Entry DOI: 10.7270/Q2JM2B4G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen Receptor


(Homo sapiens (Human))
BDBM50077095
PNG
(CHEMBL281945 | Trans-7-Methyl-4-trifluoromethyl-6-...)
Show SMILES C[C@H]1CNc2cc3[nH]c(=O)cc(c3cc2C1CCC(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H16F6N2O/c1-8-7-24-13-6-14-11(12(17(21,22)23)5-15(26)25-14)4-10(13)9(8)2-3-16(18,19)20/h4-6,8-9,24H,2-3,7H2,1H3,(H,25,26)/t8-,9?/m0/s1
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2n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 9: 1335-40 (1999)


BindingDB Entry DOI: 10.7270/Q2JM2B4G
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM18218
PNG
((2R)-2-ethyl-1-(2,2,2-trifluoroethyl)-9-(trifluoro...)
Show SMILES CC[C@@H]1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C16H14F6N2O2/c1-2-8-6-26-13-5-11-9(3-12(13)24(8)7-15(17,18)19)10(16(20,21)22)4-14(25)23-11/h3-5,8H,2,6-7H2,1H3,(H,23,25)/t8-/m1/s1
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2.80n/an/an/a 2.70n/an/an/an/a



Ligand Pharmaceuticals Inc.



Assay Description
The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...


J Med Chem 50: 2486-96 (2007)


Article DOI: 10.1021/jm061329j
BindingDB Entry DOI: 10.7270/Q20R9MNK
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM18211
PNG
(1-(cyclopropylmethyl)-2-methyl-9-(trifluoromethyl)...)
Show SMILES CC1COc2cc3[nH]c(=O)cc(c3cc2N1CC1CC1)C(F)(F)F
Show InChI InChI=1S/C17H17F3N2O2/c1-9-8-24-15-6-13-11(4-14(15)22(9)7-10-2-3-10)12(17(18,19)20)5-16(23)21-13/h4-6,9-10H,2-3,7-8H2,1H3,(H,21,23)
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4n/an/an/a 1.90n/an/an/an/a



Ligand Pharmaceuticals Inc.



Assay Description
The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...


J Med Chem 50: 2486-96 (2007)


Article DOI: 10.1021/jm061329j
BindingDB Entry DOI: 10.7270/Q20R9MNK
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM18197
PNG
(1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-1H,2H...)
Show SMILES FC(F)(F)CN1CCOc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F
Show InChI InChI=1S/C14H10F6N2O2/c15-13(16,17)6-22-1-2-24-11-5-9-7(3-10(11)22)8(14(18,19)20)4-12(23)21-9/h3-5H,1-2,6H2,(H,21,23)
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4 -49.9n/an/a 3.5n/an/a7.437



Ligand Pharmaceuticals Inc.



Assay Description
The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...


J Med Chem 50: 2486-96 (2007)


Article DOI: 10.1021/jm061329j
BindingDB Entry DOI: 10.7270/Q20R9MNK
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM18209
PNG
(1-ethyl-2-methyl-9-(trifluoromethyl)-1H,2H,3H,6H,7...)
Show SMILES CCN1C(C)COc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F
Show InChI InChI=1S/C15H15F3N2O2/c1-3-20-8(2)7-22-13-6-11-9(4-12(13)20)10(15(16,17)18)5-14(21)19-11/h4-6,8H,3,7H2,1-2H3,(H,19,21)
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4.20n/an/an/a 10n/an/an/an/a



Ligand Pharmaceuticals Inc.



Assay Description
The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...


J Med Chem 50: 2486-96 (2007)


Article DOI: 10.1021/jm061329j
BindingDB Entry DOI: 10.7270/Q20R9MNK
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM18210
PNG
(1,2-diethyl-9-(trifluoromethyl)-1H,2H,3H,6H,7H-qui...)
Show SMILES CCC1COc2cc3[nH]c(=O)cc(c3cc2N1CC)C(F)(F)F
Show InChI InChI=1S/C16H17F3N2O2/c1-3-9-8-23-14-7-12-10(5-13(14)21(9)4-2)11(16(17,18)19)6-15(22)20-12/h5-7,9H,3-4,8H2,1-2H3,(H,20,22)
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5.60n/an/an/a 3.90n/an/an/an/a



Ligand Pharmaceuticals Inc.



Assay Description
The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...


J Med Chem 50: 2486-96 (2007)


Article DOI: 10.1021/jm061329j
BindingDB Entry DOI: 10.7270/Q20R9MNK
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM18189
PNG
((1R,2S,10S,11S,14S,15S,17S)-1-fluoro-14,17-dihydro...)
Show SMILES [H][C@@]12CC[C@](C)(O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)CC[C@]12C |t:20|
Show InChI InChI=1S/C20H29FO3/c1-17-8-6-13(22)10-12(17)4-5-15-14-7-9-19(3,24)18(14,2)11-16(23)20(15,17)21/h10,14-16,23-24H,4-9,11H2,1-3H3/t14-,15-,16-,17-,18-,19-,20-/m0/s1
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5.70 -48.9n/an/a 0.300n/an/a7.437



Ligand Pharmaceuticals Inc.



Assay Description
The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...


J Med Chem 50: 2486-96 (2007)


Article DOI: 10.1021/jm061329j
BindingDB Entry DOI: 10.7270/Q20R9MNK
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM18215
PNG
((2S)-2-methyl-1-(2,2,2-trifluoroethyl)-9-(trifluor...)
Show SMILES C[C@H]1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C15H12F6N2O2/c1-7-5-25-12-4-10-8(2-11(12)23(7)6-14(16,17)18)9(15(19,20)21)3-13(24)22-10/h2-4,7H,5-6H2,1H3,(H,22,24)/t7-/m0/s1
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5.70n/an/an/a 3.80n/an/an/an/a



Ligand Pharmaceuticals Inc.



Assay Description
The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...


J Med Chem 50: 2486-96 (2007)


Article DOI: 10.1021/jm061329j
BindingDB Entry DOI: 10.7270/Q20R9MNK
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM18190
PNG
(6-ethyl-4-(trifluoromethyl)-1H,2H,6H,7H,8H,9H-pyri...)
Show SMILES CCC1CCNc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F
Show InChI InChI=1S/C15H15F3N2O/c1-2-8-3-4-19-12-7-13-10(5-9(8)12)11(15(16,17)18)6-14(21)20-13/h5-8,19H,2-4H2,1H3,(H,20,21)
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7n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to the human androgen receptor (hAR), using [3H]DHT as radioligand in a competitive binding assay


Bioorg Med Chem Lett 9: 1335-40 (1999)


BindingDB Entry DOI: 10.7270/Q2JM2B4G
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM18216
PNG
((2R)-2-methyl-1-(2,2,2-trifluoroethyl)-9-(trifluor...)
Show SMILES C[C@@H]1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C15H12F6N2O2/c1-7-5-25-12-4-10-8(2-11(12)23(7)6-14(16,17)18)9(15(19,20)21)3-13(24)22-10/h2-4,7H,5-6H2,1H3,(H,22,24)/t7-/m1/s1
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7.10n/an/an/a 1.10n/an/an/an/a



Ligand Pharmaceuticals Inc.



Assay Description
The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...


J Med Chem 50: 2486-96 (2007)


Article DOI: 10.1021/jm061329j
BindingDB Entry DOI: 10.7270/Q20R9MNK
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM18213
PNG
(2-methyl-1-(2,2,2-trifluoroethyl)-9-(trifluorometh...)
Show SMILES CC1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C15H12F6N2O2/c1-7-5-25-12-4-10-8(2-11(12)23(7)6-14(16,17)18)9(15(19,20)21)3-13(24)22-10/h2-4,7H,5-6H2,1H3,(H,22,24)
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7.80n/an/an/a 2.70n/an/an/an/a



Ligand Pharmaceuticals Inc.



Assay Description
The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...


J Med Chem 50: 2486-96 (2007)


Article DOI: 10.1021/jm061329j
BindingDB Entry DOI: 10.7270/Q20R9MNK
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50077105
PNG
(CHEMBL418198 | Trans-6-Ethyl-7-methyl-4-trifluorom...)
Show SMILES CCC1[C@@H](C)CNc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F
Show InChI InChI=1S/C16H17F3N2O/c1-3-9-8(2)7-20-13-6-14-11(4-10(9)13)12(16(17,18)19)5-15(22)21-14/h4-6,8-9,20H,3,7H2,1-2H3,(H,21,22)/t8-,9?/m0/s1
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8n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 9: 1335-40 (1999)


BindingDB Entry DOI: 10.7270/Q2JM2B4G
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50077112
PNG
(CHEMBL27812 | Cis-(3aR,11bS)-10-Trifluoromethyl-1,...)
Show SMILES FC(F)(F)c1cc(=O)[nH]c2cc3NC[C@@H]4CCC[C@@H]4c3cc12
Show InChI InChI=1S/C16H15F3N2O/c17-16(18,19)12-5-15(22)21-14-6-13-10(4-11(12)14)9-3-1-2-8(9)7-20-13/h4-6,8-9,20H,1-3,7H2,(H,21,22)/t8-,9-/m0/s1
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8n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Agonist activity to the human androgen receptor (hAR) in CV-1 cells


Bioorg Med Chem Lett 9: 1335-40 (1999)


BindingDB Entry DOI: 10.7270/Q2JM2B4G
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50077115
PNG
(CHEMBL282204 | Cis-6,7-Dimethyl-4-trifluoromethyl-...)
Show SMILES C[C@@H]1CNc2cc3[nH]c(=O)cc(c3cc2C1C)C(F)(F)F
Show InChI InChI=1S/C15H15F3N2O/c1-7-6-19-12-5-13-10(3-9(12)8(7)2)11(15(16,17)18)4-14(21)20-13/h3-5,7-8,19H,6H2,1-2H3,(H,20,21)/t7-,8?/m1/s1
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8n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to the human androgen receptor (hAR), using [3H]DHT as radioligand in a competitive binding assay


Bioorg Med Chem Lett 9: 1335-40 (1999)


BindingDB Entry DOI: 10.7270/Q2JM2B4G
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50077111
PNG
(6-Ethyl-1-methyl-4-trifluoromethyl-6,7,8,9-tetrahy...)
Show SMILES CCC1CCNc2cc3n(C)c(=O)cc(c3cc12)C(F)(F)F
Show InChI InChI=1S/C16H17F3N2O/c1-3-9-4-5-20-13-8-14-11(6-10(9)13)12(16(17,18)19)7-15(22)21(14)2/h6-9,20H,3-5H2,1-2H3
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9n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to the human androgen receptor (hAR), using [3H]DHT as radioligand in a competitive binding assay


Bioorg Med Chem Lett 9: 1335-40 (1999)


BindingDB Entry DOI: 10.7270/Q2JM2B4G
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM22563
PNG
(2-arylbenzimidazole derivative, 9 | 2-{2-chloro-4-...)
Show SMILES CN1CCCN(CCCOc2ccc(-c3nc4ccc(C)c(C)c4[nH]3)c(Cl)c2)CC1
Show InChI InChI=1S/C24H31ClN4O/c1-17-6-9-22-23(18(17)2)27-24(26-22)20-8-7-19(16-21(20)25)30-15-5-12-29-11-4-10-28(3)13-14-29/h6-9,16H,4-5,10-15H2,1-3H3,(H,26,27)
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9 -45.9n/an/an/an/an/a7.525



Johnson & Johnson Pharmaceutical



Assay Description
The Ki values were calculated based on an experimentally determined appropriate Kd value according to Cheng and Prusoff.


Bioorg Med Chem Lett 16: 6043-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.117
BindingDB Entry DOI: 10.7270/Q20P0XB5
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50077097
PNG
(6-Methyl-4-trifluoromethyl-6,7,8,9-tetrahydro-1H-p...)
Show SMILES CC1CCNc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F
Show InChI InChI=1S/C14H13F3N2O/c1-7-2-3-18-11-6-12-9(4-8(7)11)10(14(15,16)17)5-13(20)19-12/h4-7,18H,2-3H2,1H3,(H,19,20)
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9n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonistic activity against human androgen receptor (hAR) in CV-1 cells was determined as a function of maximal inhibition of dihydrotestosterone u...


Bioorg Med Chem Lett 9: 1335-40 (1999)


BindingDB Entry DOI: 10.7270/Q2JM2B4G
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM18214
PNG
(2-ethyl-1-(2,2,2-trifluoroethyl)-9-(trifluoromethy...)
Show SMILES CCC1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C16H14F6N2O2/c1-2-8-6-26-13-5-11-9(3-12(13)24(8)7-15(17,18)19)10(16(20,21)22)4-14(25)23-11/h3-5,8H,2,6-7H2,1H3,(H,23,25)
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9.40n/an/an/a 6n/an/an/an/a



Ligand Pharmaceuticals Inc.



Assay Description
The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...


J Med Chem 50: 2486-96 (2007)


Article DOI: 10.1021/jm061329j
BindingDB Entry DOI: 10.7270/Q20R9MNK
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM18194
PNG
(1-propyl-9-(trifluoromethyl)-1H,2H,3H,6H,7H-quinol...)
Show SMILES CCCN1CCOc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F
Show InChI InChI=1S/C15H15F3N2O2/c1-2-3-20-4-5-22-13-8-11-9(6-12(13)20)10(15(16,17)18)7-14(21)19-11/h6-8H,2-5H2,1H3,(H,19,21)
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9.60 -47.6n/an/a 2.40n/an/a7.437



Ligand Pharmaceuticals Inc.



Assay Description
The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...


J Med Chem 50: 2486-96 (2007)


Article DOI: 10.1021/jm061329j
BindingDB Entry DOI: 10.7270/Q20R9MNK
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM18190
PNG
(6-ethyl-4-(trifluoromethyl)-1H,2H,6H,7H,8H,9H-pyri...)
Show SMILES CCC1CCNc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F
Show InChI InChI=1S/C15H15F3N2O/c1-2-8-3-4-19-12-7-13-10(5-9(8)12)11(15(16,17)18)6-14(21)20-13/h5-8,19H,2-4H2,1H3,(H,20,21)
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11 -47.3n/an/a 4.10n/an/a7.437



Ligand Pharmaceuticals Inc.



Assay Description
The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...


J Med Chem 50: 2486-96 (2007)


Article DOI: 10.1021/jm061329j
BindingDB Entry DOI: 10.7270/Q20R9MNK
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50077108
PNG
(6,6-Dimethyl-4-trifluoromethyl-6,7,8,9-tetrahydro-...)
Show SMILES CC1(C)CCNc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F
Show InChI InChI=1S/C15H15F3N2O/c1-14(2)3-4-19-12-7-11-8(5-10(12)14)9(15(16,17)18)6-13(21)20-11/h5-7,19H,3-4H2,1-2H3,(H,20,21)
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12n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to the human androgen receptor (hAR), using [3H]DHT as radioligand in a competitive binding assay


Bioorg Med Chem Lett 9: 1335-40 (1999)


BindingDB Entry DOI: 10.7270/Q2JM2B4G
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50077109
PNG
(6-Isopropyl-4-trifluoromethyl-6,7,8,9-tetrahydro-1...)
Show SMILES CC(C)C1CCNc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F
Show InChI InChI=1S/C16H17F3N2O/c1-8(2)9-3-4-20-13-7-14-11(5-10(9)13)12(16(17,18)19)6-15(22)21-14/h5-9,20H,3-4H2,1-2H3,(H,21,22)
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13n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to the human androgen receptor (hAR), using [3H]DHT as radioligand in a competitive binding assay


Bioorg Med Chem Lett 9: 1335-40 (1999)


BindingDB Entry DOI: 10.7270/Q2JM2B4G
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50077096
PNG
(CHEMBL25802 | Trans-11-Trifluoromethyl-2,3,4,4a,5,...)
Show SMILES FC(F)(F)c1cc(=O)[nH]c2cc3NC[C@H]4CCCC[C@@H]4c3cc12
Show InChI InChI=1S/C17H17F3N2O/c18-17(19,20)13-6-16(23)22-15-7-14-11(5-12(13)15)10-4-2-1-3-9(10)8-21-14/h5-7,9-10,21H,1-4,8H2,(H,22,23)/t9-,10+/m1/s1
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15n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Agonist activity to the human androgen receptor (hAR) in CV-1 cells


Bioorg Med Chem Lett 9: 1335-40 (1999)


BindingDB Entry DOI: 10.7270/Q2JM2B4G
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM18201
PNG
(3-methyl-1-(2,2,2-trifluoroethyl)-9-(trifluorometh...)
Show SMILES CC1CN(CC(F)(F)F)c2cc3c(cc(=O)[nH]c3cc2O1)C(F)(F)F
Show InChI InChI=1S/C15H12F6N2O2/c1-7-5-23(6-14(16,17)18)11-2-8-9(15(19,20)21)3-13(24)22-10(8)4-12(11)25-7/h2-4,7H,5-6H2,1H3,(H,22,24)
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15 -46.5n/an/a 8.90n/an/a7.437



Ligand Pharmaceuticals Inc.



Assay Description
The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...


J Med Chem 50: 2486-96 (2007)


Article DOI: 10.1021/jm061329j
BindingDB Entry DOI: 10.7270/Q20R9MNK
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM18192
PNG
(1-methyl-9-(trifluoromethyl)-1H,2H,3H,6H,7H-quinol...)
Show SMILES CN1CCOc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F
Show InChI InChI=1S/C13H11F3N2O2/c1-18-2-3-20-11-6-9-7(4-10(11)18)8(13(14,15)16)5-12(19)17-9/h4-6H,2-3H2,1H3,(H,17,19)
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15 -46.5n/an/a 18n/an/a7.437



Ligand Pharmaceuticals Inc.



Assay Description
The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...


J Med Chem 50: 2486-96 (2007)


Article DOI: 10.1021/jm061329j
BindingDB Entry DOI: 10.7270/Q20R9MNK
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50077099
PNG
(CHEMBL436344 | Trans-6,7-Dimethyl-4-trifluoromethy...)
Show SMILES C[C@H]1CNc2cc3[nH]c(=O)cc(c3cc2C1C)C(F)(F)F
Show InChI InChI=1S/C15H15F3N2O/c1-7-6-19-12-5-13-10(3-9(12)8(7)2)11(15(16,17)18)4-14(21)20-13/h3-5,7-8,19H,6H2,1-2H3,(H,20,21)/t7-,8?/m0/s1
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16n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to the human androgen receptor (hAR), using [3H]DHT as radioligand in a competitive binding assay


Bioorg Med Chem Lett 9: 1335-40 (1999)


BindingDB Entry DOI: 10.7270/Q2JM2B4G
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM18222
PNG
(4-(trifluoromethyl)-1,2,7,8,9,10,10a,11-octahydro-...)
Show SMILES FC(F)(F)c1cc(=O)[nH]c2cc3OCC4CCCCN4c3cc12
Show InChI InChI=1S/C16H15F3N2O2/c17-16(18,19)11-6-15(22)20-12-7-14-13(5-10(11)12)21-4-2-1-3-9(21)8-23-14/h5-7,9H,1-4,8H2,(H,20,22)
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16n/an/an/a 14n/an/an/an/a



Ligand Pharmaceuticals Inc.



Assay Description
The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...


J Med Chem 50: 2486-96 (2007)


Article DOI: 10.1021/jm061329j
BindingDB Entry DOI: 10.7270/Q20R9MNK
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM18195
PNG
(1-(2-methylpropyl)-9-(trifluoromethyl)-1H,2H,3H,6H...)
Show SMILES CC(C)CN1CCOc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F
Show InChI InChI=1S/C16H17F3N2O2/c1-9(2)8-21-3-4-23-14-7-12-10(5-13(14)21)11(16(17,18)19)6-15(22)20-12/h5-7,9H,3-4,8H2,1-2H3,(H,20,22)
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17 -46.1n/an/a 3.20n/an/a7.437



Ligand Pharmaceuticals Inc.



Assay Description
The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...


J Med Chem 50: 2486-96 (2007)


Article DOI: 10.1021/jm061329j
BindingDB Entry DOI: 10.7270/Q20R9MNK
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM18217
PNG
((2S)-2-ethyl-1-(2,2,2-trifluoroethyl)-9-(trifluoro...)
Show SMILES CC[C@H]1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C16H14F6N2O2/c1-2-8-6-26-13-5-11-9(3-12(13)24(8)7-15(17,18)19)10(16(20,21)22)4-14(25)23-11/h3-5,8H,2,6-7H2,1H3,(H,23,25)/t8-/m0/s1
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19n/an/an/a 30n/an/an/an/a



Ligand Pharmaceuticals Inc.



Assay Description
The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...


J Med Chem 50: 2486-96 (2007)


Article DOI: 10.1021/jm061329j
BindingDB Entry DOI: 10.7270/Q20R9MNK
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50077114
PNG
(4-Trifluoromethyl-6,7,8,9-tetrahydro-1H-pyrido[3,2...)
Show SMILES FC(F)(F)c1cc(=O)[nH]c2cc3NCCCc3cc12
Show InChI InChI=1S/C13H11F3N2O/c14-13(15,16)9-5-12(19)18-11-6-10-7(4-8(9)11)2-1-3-17-10/h4-6,17H,1-3H2,(H,18,19)
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19n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Agonist activity to the human androgen receptor (hAR) in CV-1 cells


Bioorg Med Chem Lett 9: 1335-40 (1999)


BindingDB Entry DOI: 10.7270/Q2JM2B4G
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM22556
PNG
(2-arylbenzimidazole derivative, 2 | 2-{2-chloro-4-...)
Show SMILES CN1CCN(CCCOc2ccc(-c3nc4c(C)cc(C)cc4[nH]3)c(Cl)c2)CC1
Show InChI InChI=1S/C23H29ClN4O/c1-16-13-17(2)22-21(14-16)25-23(26-22)19-6-5-18(15-20(19)24)29-12-4-7-28-10-8-27(3)9-11-28/h5-6,13-15H,4,7-12H2,1-3H3,(H,25,26)
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22 -43.7n/an/an/an/an/a7.525



Johnson & Johnson Pharmaceutical



Assay Description
The Ki values were calculated based on an experimentally determined appropriate Kd value according to Cheng and Prusoff.


Bioorg Med Chem Lett 16: 6043-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.117
BindingDB Entry DOI: 10.7270/Q20P0XB5
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50077100
PNG
(6-Isobutyl-4-trifluoromethyl-6,7,8,9-tetrahydro-1H...)
Show SMILES CC(C)CC1CCNc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F
Show InChI InChI=1S/C17H19F3N2O/c1-9(2)5-10-3-4-21-14-8-15-12(6-11(10)14)13(17(18,19)20)7-16(23)22-15/h6-10,21H,3-5H2,1-2H3,(H,22,23)
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22n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to the human androgen receptor (hAR), using [3H]DHT as radioligand in a competitive binding assay


Bioorg Med Chem Lett 9: 1335-40 (1999)


BindingDB Entry DOI: 10.7270/Q2JM2B4G
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM18212
PNG
(1-(cyclopropylmethyl)-2-ethyl-9-(trifluoromethyl)-...)
Show SMILES CCC1COc2cc3[nH]c(=O)cc(c3cc2N1CC1CC1)C(F)(F)F
Show InChI InChI=1S/C18H19F3N2O2/c1-2-11-9-25-16-7-14-12(5-15(16)23(11)8-10-3-4-10)13(18(19,20)21)6-17(24)22-14/h5-7,10-11H,2-4,8-9H2,1H3,(H,22,24)
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23n/an/an/a 2.30n/an/an/an/a



Ligand Pharmaceuticals Inc.



Assay Description
The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...


J Med Chem 50: 2486-96 (2007)


Article DOI: 10.1021/jm061329j
BindingDB Entry DOI: 10.7270/Q20R9MNK
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM18206
PNG
((3R)-3-methyl-1-(2,2,2-trifluoroethyl)-9-(trifluor...)
Show SMILES C[C@@H]1CN(CC(F)(F)F)c2cc3c(cc(=O)[nH]c3cc2O1)C(F)(F)F |r|
Show InChI InChI=1S/C15H12F6N2O2/c1-7-5-23(6-14(16,17)18)11-2-8-9(15(19,20)21)3-13(24)22-10(8)4-12(11)25-7/h2-4,7H,5-6H2,1H3,(H,22,24)/t7-/m1/s1
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25 -45.1n/an/a 7.80n/an/a7.437



Ligand Pharmaceuticals Inc.



Assay Description
The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...


J Med Chem 50: 2486-96 (2007)


Article DOI: 10.1021/jm061329j
BindingDB Entry DOI: 10.7270/Q20R9MNK
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM22562
PNG
(2-arylbenzimidazole derivative, 8 | 5-tert-butyl-2...)
Show SMILES CN1CCN(CCCOc2ccc(cc2C)-c2nc3ccc(cc3[nH]2)C(C)(C)C)CC1
Show InChI InChI=1S/C26H36N4O/c1-19-17-20(25-27-22-9-8-21(26(2,3)4)18-23(22)28-25)7-10-24(19)31-16-6-11-30-14-12-29(5)13-15-30/h7-10,17-18H,6,11-16H2,1-5H3,(H,27,28)
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26 -43.3n/an/an/an/an/a7.525



Johnson & Johnson Pharmaceutical



Assay Description
The Ki values were calculated based on an experimentally determined appropriate Kd value according to Cheng and Prusoff.


Bioorg Med Chem Lett 16: 6043-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.117
BindingDB Entry DOI: 10.7270/Q20P0XB5
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM22560
PNG
(2-arylbenzimidazole derivative, 6 | 5-tert-butyl-2...)
Show SMILES CN1CCCN(CCCOc2ccc(cc2Cl)-c2nc3ccc(cc3[nH]2)C(C)(C)C)CC1
Show InChI InChI=1S/C26H35ClN4O/c1-26(2,3)20-8-9-22-23(18-20)29-25(28-22)19-7-10-24(21(27)17-19)32-16-6-13-31-12-5-11-30(4)14-15-31/h7-10,17-18H,5-6,11-16H2,1-4H3,(H,28,29)
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26 -43.3n/an/an/an/an/a7.525



Johnson & Johnson Pharmaceutical



Assay Description
The Ki values were calculated based on an experimentally determined appropriate Kd value according to Cheng and Prusoff.


Bioorg Med Chem Lett 16: 6043-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.117
BindingDB Entry DOI: 10.7270/Q20P0XB5
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM18221
PNG
((15R)-7-(trifluoromethyl)-17-oxa-4,11-diazatetracy...)
Show SMILES FC(F)(F)c1cc(=O)[nH]c2cc3OC[C@H]4CCCN4c3cc12 |r|
Show InChI InChI=1S/C15H13F3N2O2/c16-15(17,18)10-5-14(21)19-11-6-13-12(4-9(10)11)20-3-1-2-8(20)7-22-13/h4-6,8H,1-3,7H2,(H,19,21)/t8-/m1/s1
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27n/an/an/a 26n/an/an/an/a



Ligand Pharmaceuticals Inc.



Assay Description
The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...


J Med Chem 50: 2486-96 (2007)


Article DOI: 10.1021/jm061329j
BindingDB Entry DOI: 10.7270/Q20R9MNK
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50403736
PNG
(CHEMBL2113261)
Show SMILES CC[C@@H]1[C@H](C)CNc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F
Show InChI InChI=1S/C16H17F3N2O/c1-3-9-8(2)7-20-13-6-14-11(4-10(9)13)12(16(17,18)19)5-15(22)21-14/h4-6,8-9,20H,3,7H2,1-2H3,(H,21,22)/t8-,9-/m1/s1
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27n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to the human androgen receptor (hAR), using [3H]DHT as radioligand in a competitive binding assay


Bioorg Med Chem Lett 9: 1335-40 (1999)


BindingDB Entry DOI: 10.7270/Q2JM2B4G
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM22558
PNG
(2-arylbenzimidazole derivative, 4 | 4-{2-chloro-4-...)
Show SMILES CN1CCN(CCCOc2ccc(-c3nc4c(ccc5ccccc45)[nH]3)c(Cl)c2)CC1
Show InChI InChI=1S/C25H27ClN4O/c1-29-12-14-30(15-13-29)11-4-16-31-19-8-9-21(22(26)17-19)25-27-23-10-7-18-5-2-3-6-20(18)24(23)28-25/h2-3,5-10,17H,4,11-16H2,1H3,(H,27,28)
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28 -43.1n/an/an/an/an/a7.525



Johnson & Johnson Pharmaceutical



Assay Description
The Ki values were calculated based on an experimentally determined appropriate Kd value according to Cheng and Prusoff.


Bioorg Med Chem Lett 16: 6043-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.117
BindingDB Entry DOI: 10.7270/Q20P0XB5
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50077113
PNG
(6-Propyl-4-trifluoromethyl-6,7,8,9-tetrahydro-1H-p...)
Show SMILES CCCC1CCNc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F
Show InChI InChI=1S/C16H17F3N2O/c1-2-3-9-4-5-20-13-8-14-11(6-10(9)13)12(16(17,18)19)7-15(22)21-14/h6-9,20H,2-5H2,1H3,(H,21,22)
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29n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to the human androgen receptor (hAR), using [3H]DHT as radioligand in a competitive binding assay


Bioorg Med Chem Lett 9: 1335-40 (1999)


BindingDB Entry DOI: 10.7270/Q2JM2B4G
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM18204
PNG
(3-ethyl-1-(2,2,2-trifluoroethyl)-9-(trifluoromethy...)
Show SMILES CCC1CN(CC(F)(F)F)c2cc3c(cc(=O)[nH]c3cc2O1)C(F)(F)F
Show InChI InChI=1S/C16H14F6N2O2/c1-2-8-6-24(7-15(17,18)19)12-3-9-10(16(20,21)22)4-14(25)23-11(9)5-13(12)26-8/h3-5,8H,2,6-7H2,1H3,(H,23,25)
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30 -44.7n/an/a 15n/an/a7.437



Ligand Pharmaceuticals Inc.



Assay Description
The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...


J Med Chem 50: 2486-96 (2007)


Article DOI: 10.1021/jm061329j
BindingDB Entry DOI: 10.7270/Q20R9MNK
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM18200
PNG
(1,3-dimethyl-9-(trifluoromethyl)-1H,2H,3H,6H,7H-qu...)
Show SMILES CC1CN(C)c2cc3c(cc(=O)[nH]c3cc2O1)C(F)(F)F
Show InChI InChI=1S/C14H13F3N2O2/c1-7-6-19(2)11-3-8-9(14(15,16)17)4-13(20)18-10(8)5-12(11)21-7/h3-5,7H,6H2,1-2H3,(H,18,20)
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33 -44.4n/an/a 47n/an/a7.437



Ligand Pharmaceuticals Inc.



Assay Description
The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...


J Med Chem 50: 2486-96 (2007)


Article DOI: 10.1021/jm061329j
BindingDB Entry DOI: 10.7270/Q20R9MNK
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM18203
PNG
(1,3-diethyl-9-(trifluoromethyl)-1H,2H,3H,6H,7H-qui...)
Show SMILES CCC1CN(CC)c2cc3c(cc(=O)[nH]c3cc2O1)C(F)(F)F
Show InChI InChI=1S/C16H17F3N2O2/c1-3-9-8-21(4-2)13-5-10-11(16(17,18)19)6-15(22)20-12(10)7-14(13)23-9/h5-7,9H,3-4,8H2,1-2H3,(H,20,22)
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34 -44.3n/an/a 31n/an/a7.437



Ligand Pharmaceuticals Inc.



Assay Description
The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...


J Med Chem 50: 2486-96 (2007)


Article DOI: 10.1021/jm061329j
BindingDB Entry DOI: 10.7270/Q20R9MNK
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM22555
PNG
(2-arylbenzimidazole derivative, 1 | 2-{2-chloro-4-...)
Show SMILES CN1CCN(CCCOc2ccc(-c3nc4ccc(C)c(C)c4[nH]3)c(Cl)c2)CC1
Show InChI InChI=1S/C23H29ClN4O/c1-16-5-8-21-22(17(16)2)26-23(25-21)19-7-6-18(15-20(19)24)29-14-4-9-28-12-10-27(3)11-13-28/h5-8,15H,4,9-14H2,1-3H3,(H,25,26)
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46 -41.9n/an/an/an/an/a7.525



Johnson & Johnson Pharmaceutical



Assay Description
The Ki values were calculated based on an experimentally determined appropriate Kd value according to Cheng and Prusoff.


Bioorg Med Chem Lett 16: 6043-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.117
BindingDB Entry DOI: 10.7270/Q20P0XB5
More data for this
Ligand-Target Pair
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