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Compile Data Set for Download or QSAR

Found 85 hits with Last Name = 'furuya' and Initial = 'k'   
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
Isoleucyl-tRNA synthetase


(Rattus norvegicus)
BDBM50217841
PNG
(REVEROMYCIN A)
Show SMILES [H][C@]1(C\C=C(/C)\C=C\[C@H](O)[C@@H](C)\C=C\C(O)=O)O[C@]2(CC[C@@H]1C)CC[C@@](CCCC)(OC(=O)CCC(O)=O)[C@@]([H])(O2)\C=C\C(\C)=C\C(O)=O |r|
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n/an/a 1.30n/an/an/an/an/an/a



RIKEN (The Institute of Physical and Chemical Research)

Curated by ChEMBL




Bioorg Med Chem Lett 12: 3363-6 (2002)

More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
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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n/an/a 2n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]testosterone from androgen receptor in Sprague-Dawley rat prostate gland after 2 hrs by liquid scintillation counting


Bioorg Med Chem Lett 21: 6310-3 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.08.118
BindingDB Entry DOI: 10.7270/Q2JH3MKZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen receptor


(Rattus norvegicus (Rat))
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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n/an/a 3.10n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]testosterone from Sprague-Dawley rat AR by liquid scintillation counting


Bioorg Med Chem Lett 21: 1744-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.073
BindingDB Entry DOI: 10.7270/Q2474B55
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen receptor


(Rattus norvegicus (Rat))
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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n/an/a 3.10n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Competitive binding affinity to rat androgen receptor


Bioorg Med Chem Lett 21: 6310-3 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.08.118
BindingDB Entry DOI: 10.7270/Q2JH3MKZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50338693
PNG
(2-methyl-2-((3aR,4S,9bS)-8-nitro-3a,4,5,9b-tetrahy...)
Show SMILES CC(C)(CO)[C@H]1Nc2ccc(cc2[C@H]2C=CC[C@@H]12)[N+]([O-])=O |r,c:15|
Show InChI InChI=1S/C16H20N2O3/c1-16(2,9-19)15-12-5-3-4-11(12)13-8-10(18(20)21)6-7-14(13)17-15/h3-4,6-8,11-12,15,17,19H,5,9H2,1-2H3/t11-,12+,15-/m0/s1
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n/an/a 5.10n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Competitive binding affinity to rat androgen receptor


Bioorg Med Chem Lett 21: 6310-3 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.08.118
BindingDB Entry DOI: 10.7270/Q2JH3MKZ
More data for this
Ligand-Target Pair
Progesterone receptor


(Oryctolagus cuniculus)
BDBM8903
PNG
((1S,2R,10S,11S,14S,15S)-14-acetyl-2,15-dimethyltet...)
Show SMILES [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:20|
Show InChI InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]progesterone from progesterone receptor in JW rabbit uterus after 2 hrs by liquid scintillation counting


Bioorg Med Chem Lett 21: 6310-3 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.08.118
BindingDB Entry DOI: 10.7270/Q2JH3MKZ
More data for this
Ligand-Target Pair
Progesterone receptor


(Oryctolagus cuniculus)
BDBM8903
PNG
((1S,2R,10S,11S,14S,15S)-14-acetyl-2,15-dimethyltet...)
Show SMILES [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:20|
Show InChI InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]progesterone from rabbit PR by liquid scintillation counting


Bioorg Med Chem Lett 21: 1744-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.073
BindingDB Entry DOI: 10.7270/Q2474B55
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50338693
PNG
(2-methyl-2-((3aR,4S,9bS)-8-nitro-3a,4,5,9b-tetrahy...)
Show SMILES CC(C)(CO)[C@H]1Nc2ccc(cc2[C@H]2C=CC[C@@H]12)[N+]([O-])=O |r,c:15|
Show InChI InChI=1S/C16H20N2O3/c1-16(2,9-19)15-12-5-3-4-11(12)13-8-10(18(20)21)6-7-14(13)17-15/h3-4,6-8,11-12,15,17,19H,5,9H2,1-2H3/t11-,12+,15-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]testosterone from Sprague-Dawley rat AR by liquid scintillation counting


Bioorg Med Chem Lett 21: 1744-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.073
BindingDB Entry DOI: 10.7270/Q2474B55
More data for this
Ligand-Target Pair
Glucocorticoid


(RAT)
BDBM18207
PNG
((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)
Show SMILES [H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |c:28,t:24|
Show InChI InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1
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n/an/a 22n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]Dex from glucocorticoid receptor in Sprague-Dawley rat liver after 2 hrs by liquid scintillation counting


Bioorg Med Chem Lett 21: 6310-3 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.08.118
BindingDB Entry DOI: 10.7270/Q2JH3MKZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid


(RAT)
BDBM18207
PNG
((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)
Show SMILES [H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |c:28,t:24|
Show InChI InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1
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n/an/a 22n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from Sprague-Dawley rat GR by liquid scintillation counting


Bioorg Med Chem Lett 21: 1744-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.073
BindingDB Entry DOI: 10.7270/Q2474B55
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50355949
PNG
(CHEMBL1910418)
Show SMILES CCS[C@H]1C[C@H](Nc2ccc(cc12)[N+]([O-])=O)C(C)(C)CO |r|
Show InChI InChI=1S/C15H22N2O3S/c1-4-21-13-8-14(15(2,3)9-18)16-12-6-5-10(17(19)20)7-11(12)13/h5-7,13-14,16,18H,4,8-9H2,1-3H3/t13-,14-/m0/s1
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n/an/a 22n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Competitive binding affinity to rat androgen receptor


Bioorg Med Chem Lett 21: 6310-3 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.08.118
BindingDB Entry DOI: 10.7270/Q2JH3MKZ
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM18525
PNG
(Bicalutamide | CHEMBL409 | N-[4-cyano-3-(trifluoro...)
Show SMILES CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C18H14F4N2O4S/c1-17(26,10-29(27,28)14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25)
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n/an/a 25n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]testosterone from androgen receptor in Sprague-Dawley rat prostate gland after 2 hrs by liquid scintillation counting


Bioorg Med Chem Lett 21: 6310-3 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.08.118
BindingDB Entry DOI: 10.7270/Q2JH3MKZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50355936
PNG
(CHEMBL1910411)
Show SMILES CN(C)[C@H]1C[C@H](Nc2ccc(cc12)[N+]([O-])=O)C(C)(C)CO |r|
Show InChI InChI=1S/C15H23N3O3/c1-15(2,9-19)14-8-13(17(3)4)11-7-10(18(20)21)5-6-12(11)16-14/h5-7,13-14,16,19H,8-9H2,1-4H3/t13-,14-/m0/s1
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n/an/a 26n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Competitive binding affinity to rat androgen receptor


Bioorg Med Chem Lett 21: 6310-3 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.08.118
BindingDB Entry DOI: 10.7270/Q2JH3MKZ
More data for this
Ligand-Target Pair
Isoleucyl-tRNA synthetase


(Rattus norvegicus)
BDBM50217935
PNG
(CHEMBL114859)
Show SMILES [H][C@]1(C\C=C(/C)\C=C\[C@H](O)[C@@H](C)\C=C\C(O)=O)O[C@]2(CC[C@@H]1C)CC[C@@](CCCC)(OC)[C@@]([H])(O2)\C=C\C(\C)=C\C(O)=O |r|
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n/an/a 26n/an/an/an/an/an/a



RIKEN (The Institute of Physical and Chemical Research)

Curated by ChEMBL




Bioorg Med Chem Lett 12: 3363-6 (2002)

More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50355938
PNG
(CHEMBL1909642)
Show SMILES CC(C)(CO)[C@H]1Nc2ccc(cc2[C@H]2OCC[C@@H]12)[N+]([O-])=O |r|
Show InChI InChI=1S/C15H20N2O4/c1-15(2,8-18)14-10-5-6-21-13(10)11-7-9(17(19)20)3-4-12(11)16-14/h3-4,7,10,13-14,16,18H,5-6,8H2,1-2H3/t10-,13+,14+/m1/s1
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n/an/a 38n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Competitive binding affinity to rat androgen receptor


Bioorg Med Chem Lett 21: 6310-3 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.08.118
BindingDB Entry DOI: 10.7270/Q2JH3MKZ
More data for this
Ligand-Target Pair
Isoleucyl-tRNA synthetase


(Rattus norvegicus)
BDBM50217844
PNG
(CHEMBL115953)
Show SMILES [H][C@]1(C\C=C(/C)\C=C\[C@H](O)[C@@H](C)\C=C\C(O)=O)O[C@]2(CC[C@@H]1C)CC[C@](O)(CCCC)[C@@]([H])(O2)\C=C\C(\C)=C\C(O)=O |r|
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n/an/a 42n/an/an/an/an/an/a



RIKEN (The Institute of Physical and Chemical Research)

Curated by ChEMBL




Bioorg Med Chem Lett 12: 3363-6 (2002)

More data for this
Ligand-Target Pair
mineralocorticoid


(RAT)
BDBM19214
PNG
((1S,2R,10S,11S,14S,15R,17S)-17-hydroxy-14-(2-hydro...)
Show SMILES [H][C@@]12CC[C@H](C(=O)CO)[C@]1(C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C)C=O |t:21|
Show InChI InChI=1S/C21H28O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h8,11,14-17,19,22,25H,2-7,9-10H2,1H3/t14-,15-,16+,17-,19+,20-,21+/m0/s1
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n/an/a 43n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]aldosterone from Sprague-Dawley rat MR by liquid scintillation counting


Bioorg Med Chem Lett 21: 1744-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.073
BindingDB Entry DOI: 10.7270/Q2474B55
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
mineralocorticoid


(RAT)
BDBM19214
PNG
((1S,2R,10S,11S,14S,15R,17S)-17-hydroxy-14-(2-hydro...)
Show SMILES [H][C@@]12CC[C@H](C(=O)CO)[C@]1(C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C)C=O |t:21|
Show InChI InChI=1S/C21H28O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h8,11,14-17,19,22,25H,2-7,9-10H2,1H3/t14-,15-,16+,17-,19+,20-,21+/m0/s1
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n/an/a 43n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]Aldo from mineralocorticoid receptor in Sprague-Dawley rat kidney after 2 hrs by liquid scintillation counting


Bioorg Med Chem Lett 21: 6310-3 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.08.118
BindingDB Entry DOI: 10.7270/Q2JH3MKZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50355940
PNG
(CHEMBL1910408)
Show SMILES CCO[C@H]1C[C@H](Nc2ccc(cc12)[N+]([O-])=O)C(C)(C)CO |r|
Show InChI InChI=1S/C15H22N2O4/c1-4-21-13-8-14(15(2,3)9-18)16-12-6-5-10(17(19)20)7-11(12)13/h5-7,13-14,16,18H,4,8-9H2,1-3H3/t13-,14-/m0/s1
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n/an/a 45n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Competitive binding affinity to rat androgen receptor


Bioorg Med Chem Lett 21: 6310-3 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.08.118
BindingDB Entry DOI: 10.7270/Q2JH3MKZ
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50355936
PNG
(CHEMBL1910411)
Show SMILES CN(C)[C@H]1C[C@H](Nc2ccc(cc12)[N+]([O-])=O)C(C)(C)CO |r|
Show InChI InChI=1S/C15H23N3O3/c1-15(2,9-19)14-8-13(17(3)4)11-7-10(18(20)21)5-6-12(11)16-14/h5-7,13-14,16,19H,8-9H2,1-4H3/t13-,14-/m0/s1
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n/an/a 45n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]testosterone from androgen receptor in Sprague-Dawley rat prostate gland after 2 hrs by liquid scintillation counting


Bioorg Med Chem Lett 21: 6310-3 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.08.118
BindingDB Entry DOI: 10.7270/Q2JH3MKZ
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM18525
PNG
(Bicalutamide | CHEMBL409 | N-[4-cyano-3-(trifluoro...)
Show SMILES CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C18H14F4N2O4S/c1-17(26,10-29(27,28)14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25)
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n/an/a 54n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]testosterone from Sprague-Dawley rat AR by liquid scintillation counting


Bioorg Med Chem Lett 21: 1744-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.073
BindingDB Entry DOI: 10.7270/Q2474B55
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50355937
PNG
(CHEMBL1910406)
Show SMILES CC(C)(CO)[C@H]1Nc2ccc(cc2[C@H]2OCCC[C@@H]12)[N+]([O-])=O |r|
Show InChI InChI=1S/C16H22N2O4/c1-16(2,9-19)15-11-4-3-7-22-14(11)12-8-10(18(20)21)5-6-13(12)17-15/h5-6,8,11,14-15,17,19H,3-4,7,9H2,1-2H3/t11-,14+,15+/m1/s1
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n/an/a 59n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Competitive binding affinity to rat androgen receptor


Bioorg Med Chem Lett 21: 6310-3 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.08.118
BindingDB Entry DOI: 10.7270/Q2JH3MKZ
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50355950
PNG
(CHEMBL1910419)
Show SMILES CC(C)(CO)[C@@H]1C[C@H](Sc2ccccc2)c2cc(ccc2N1)[N+]([O-])=O |r|
Show InChI InChI=1S/C19H22N2O3S/c1-19(2,12-22)18-11-17(25-14-6-4-3-5-7-14)15-10-13(21(23)24)8-9-16(15)20-18/h3-10,17-18,20,22H,11-12H2,1-2H3/t17-,18-/m0/s1
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n/an/a 89n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Competitive binding affinity to rat androgen receptor


Bioorg Med Chem Lett 21: 6310-3 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.08.118
BindingDB Entry DOI: 10.7270/Q2JH3MKZ
More data for this
Ligand-Target Pair
Isoleucyl-tRNA synthetase


(Rattus norvegicus)
BDBM50217934
PNG
(CHEMBL321686)
Show SMILES [H][C@]1(C\C=C(/C)\C=C\[C@H](O)[C@@H](C)\C=C\C(=O)OC)O[C@]2(CC[C@@H]1C)CC[C@@](CCCC)(OC(=O)CCC(O)=O)[C@@]([H])(O2)\C=C\C=C\C(O)=O
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n/an/a 93n/an/an/an/an/an/a



RIKEN (The Institute of Physical and Chemical Research)

Curated by ChEMBL




Bioorg Med Chem Lett 12: 3363-6 (2002)

More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50355942
PNG
(CHEMBL1910410)
Show SMILES CCCN(CCC)[C@H]1C[C@H](Nc2ccc(cc12)[N+]([O-])=O)C(C)(C)CO |r|
Show InChI InChI=1S/C19H31N3O3/c1-5-9-21(10-6-2)17-12-18(19(3,4)13-23)20-16-8-7-14(22(24)25)11-15(16)17/h7-8,11,17-18,20,23H,5-6,9-10,12-13H2,1-4H3/t17-,18-/m0/s1
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n/an/a 100n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Competitive binding affinity to rat androgen receptor


Bioorg Med Chem Lett 21: 6310-3 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.08.118
BindingDB Entry DOI: 10.7270/Q2JH3MKZ
More data for this
Ligand-Target Pair
Isoleucyl-tRNA synthetase


(Rattus norvegicus)
BDBM50217938
PNG
(CHEMBL112182)
Show SMILES [H][C@]1(C\C=C(/C)\C=C\[C@H](O)[C@@H](C)\C=C\C(O)=O)O[C@]2(CC[C@@H]1C)CC[C@@](CCCC)(OC(=O)CCC(=O)OC)[C@@]([H])(O2)\C=C\C=C\C(O)=O
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RIKEN (The Institute of Physical and Chemical Research)

Curated by ChEMBL




Bioorg Med Chem Lett 12: 3363-6 (2002)

More data for this
Ligand-Target Pair
Progesterone receptor


(Oryctolagus cuniculus)
BDBM50338693
PNG
(2-methyl-2-((3aR,4S,9bS)-8-nitro-3a,4,5,9b-tetrahy...)
Show SMILES CC(C)(CO)[C@H]1Nc2ccc(cc2[C@H]2C=CC[C@@H]12)[N+]([O-])=O |r,c:15|
Show InChI InChI=1S/C16H20N2O3/c1-16(2,9-19)15-12-5-3-4-11(12)13-8-10(18(20)21)6-7-14(13)17-15/h3-4,6-8,11-12,15,17,19H,5,9H2,1-2H3/t11-,12+,15-/m0/s1
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n/an/a 130n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]progesterone from rabbit PR by liquid scintillation counting


Bioorg Med Chem Lett 21: 1744-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.073
BindingDB Entry DOI: 10.7270/Q2474B55
More data for this
Ligand-Target Pair
Isoleucyl-tRNA synthetase


(Rattus norvegicus)
BDBM50217849
PNG
(CHEMBL115317)
Show SMILES [H][C@]1(C\C=C(/C)\C=C\[C@H](OC)[C@@H](C)\C=C\C(O)=O)O[C@]2(CC[C@@H]1C)CC[C@@](CCCC)(OC(=O)CCC(O)=O)[C@@]([H])(O2)\C=C\C(\C)=C\C(O)=O |r|
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n/an/a 165n/an/an/an/an/an/a



RIKEN (The Institute of Physical and Chemical Research)

Curated by ChEMBL




Bioorg Med Chem Lett 12: 3363-6 (2002)

More data for this
Ligand-Target Pair
Isoleucyl-tRNA synthetase


(Rattus norvegicus)
BDBM50217839
PNG
(CHEMBL327131)
Show SMILES [H][C@]1(C\C=C(/C)\C=C\[C@H](O)[C@@H](C)\C=C\C(O)=O)O[C@]2(CC[C@@H]1C)CC[C@@](CCCC)(OCSC)[C@@]([H])(O2)\C=C\C(\C)=C\C(O)=O |r|
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n/an/a 219n/an/an/an/an/an/a



RIKEN (The Institute of Physical and Chemical Research)

Curated by ChEMBL




Bioorg Med Chem Lett 12: 3363-6 (2002)

More data for this
Ligand-Target Pair
Progesterone receptor


(Oryctolagus cuniculus)
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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n/an/a 440n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]progesterone from rabbit PR by liquid scintillation counting


Bioorg Med Chem Lett 21: 1744-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.073
BindingDB Entry DOI: 10.7270/Q2474B55
More data for this
Ligand-Target Pair
Progesterone receptor


(Oryctolagus cuniculus)
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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n/an/a 440n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]progesterone from progesterone receptor in JW rabbit uterus after 2 hrs by liquid scintillation counting


Bioorg Med Chem Lett 21: 6310-3 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.08.118
BindingDB Entry DOI: 10.7270/Q2JH3MKZ
More data for this
Ligand-Target Pair
Isoleucyl-tRNA synthetase


(Rattus norvegicus)
BDBM50217846
PNG
(CHEMBL332420)
Show SMILES [H][C@]1(C\C=C(/C)\C=C\[C@H](O)[C@@H](C)\C=C\C(O)=O)O[C@]2(CC[C@@H]1C)CC[C@@](CCCC)(OC(=O)CCC(O)=O)[C@@]([H])(O2)\C=C\C=C\C(=O)OC
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n/an/a 491n/an/an/an/an/an/a



RIKEN (The Institute of Physical and Chemical Research)

Curated by ChEMBL




Bioorg Med Chem Lett 12: 3363-6 (2002)

More data for this
Ligand-Target Pair
Isoleucyl-tRNA synthetase


(Rattus norvegicus)
BDBM50217842
PNG
(REVEROMYCIN B)
Show SMILES [H][C@]1(C\C=C(/C)\C=C\[C@H](O)[C@@H](C)\C=C\C(O)=O)O[C@@]2(CC[C@@](CCCC)(O2)[C@@H](OC(=O)CCC(O)=O)\C=C\C(\C)=C\C(O)=O)CC[C@@H]1C |r|
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n/an/a<1.00E+3n/an/an/an/an/an/a



RIKEN (The Institute of Physical and Chemical Research)

Curated by ChEMBL




Bioorg Med Chem Lett 12: 3363-6 (2002)

More data for this
Ligand-Target Pair
Isoleucyl-tRNA synthetase


(Rattus norvegicus)
BDBM50217840
PNG
(CHEMBL324768)
Show SMILES [H][C@]1(C\C=C(/C)\C=C\[C@H](O)[C@@H](C)\C=C\C(=O)OC)O[C@]2(CC[C@@H]1C)CC[C@@](CCCC)(OC(=O)CCC(=O)OC)[C@@]([H])(O2)\C=C\C(\C)=C\C(=O)OC
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RIKEN (The Institute of Physical and Chemical Research)

Curated by ChEMBL




Bioorg Med Chem Lett 12: 3363-6 (2002)

More data for this
Ligand-Target Pair
Isoleucyl-tRNA synthetase


(Rattus norvegicus)
BDBM50217838
PNG
(CHEMBL115939)
Show SMILES [H][C@]1(C\C=C(/C)\C=C\[C@H](O)[C@@H](C)\C=C\C(O)=O)O[C@@]2(CC[C@@](CCCC)(O2)[C@@H](OC)\C=C\C(\C)=C\C(O)=O)CC[C@@H]1C
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RIKEN (The Institute of Physical and Chemical Research)

Curated by ChEMBL




Bioorg Med Chem Lett 12: 3363-6 (2002)

More data for this
Ligand-Target Pair
Isoleucyl-tRNA synthetase


(Rattus norvegicus)
BDBM50217937
PNG
(CHEMBL114949)
Show SMILES [H][C@]1(C\C=C(/C)\C=C\[C@H](OC(C)=O)[C@@H](C)\C=C\C(O)=O)O[C@]2(CC[C@@H]1C)CC[C@@](CCCC)(OC(=O)CCC(O)=O)[C@@]([H])(O2)\C=C\C(\C)=C\C(O)=O |r|
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RIKEN (The Institute of Physical and Chemical Research)

Curated by ChEMBL




Bioorg Med Chem Lett 12: 3363-6 (2002)

More data for this
Ligand-Target Pair
Isoleucyl-tRNA synthetase


(Rattus norvegicus)
BDBM50217843
PNG
(CHEMBL115081)
Show SMILES [H][C@]1(C\C=C(/C)\C=C\[C@H](O)[C@@H](C)\C=C\C(=O)OC)O[C@]2(CC[C@@H]1C)CC[C@@](CCCC)(OC(=O)CCC(O)=O)[C@@]([H])(O2)\C=C\C=C\C(=O)OC
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RIKEN (The Institute of Physical and Chemical Research)

Curated by ChEMBL




Bioorg Med Chem Lett 12: 3363-6 (2002)

More data for this
Ligand-Target Pair
Isoleucyl-tRNA synthetase


(Rattus norvegicus)
BDBM50217845
PNG
(CHEMBL324327)
Show SMILES [H][C@]1(C\C=C(/C)\C=C\[C@H](O)[C@@H](C)\C=C\C(O)=O)O[C@]2(CC[C@@H]1C)CC[C@@](CCCC)(OC(=O)CCC(=O)OC)[C@@]([H])(O2)\C=C\C=C\C(=O)OC
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RIKEN (The Institute of Physical and Chemical Research)

Curated by ChEMBL




Bioorg Med Chem Lett 12: 3363-6 (2002)

More data for this
Ligand-Target Pair
Isoleucyl-tRNA synthetase


(Rattus norvegicus)
BDBM50217847
PNG
(CHEMBL114741)
Show SMILES [H][C@]1(C\C=C(/C)\C=C\[C@H](O)[C@@H](C)\C=C\C(O)=O)O[C@@]2(CC[C@@](CCCC)(O2)[C@@H](O)\C=C\C(\C)=C\C(O)=O)CC[C@@H]1C
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RIKEN (The Institute of Physical and Chemical Research)

Curated by ChEMBL




Bioorg Med Chem Lett 12: 3363-6 (2002)

More data for this
Ligand-Target Pair
Isoleucyl-tRNA synthetase


(Rattus norvegicus)
BDBM50217848
PNG
(CHEMBL326691)
Show SMILES [H][C@]1(C\C=C(/C)\C=C\[C@H](O)[C@@H](C)\C=C\C(O)=O)O[C@]2(CC[C@@H]1C)CC[C@@](CCCC)(OCSC)[C@@]([H])(O2)\C=C\C(\C)=C\C(=O)OC
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RIKEN (The Institute of Physical and Chemical Research)

Curated by ChEMBL




Bioorg Med Chem Lett 12: 3363-6 (2002)

More data for this
Ligand-Target Pair
Isoleucyl-tRNA synthetase


(Rattus norvegicus)
BDBM50217932
PNG
(CHEMBL115260)
Show SMILES [H][C@]1(C\C=C(/C)\C=C\[C@H](O)[C@@H](C)\C=C\C(=O)OC)O[C@]2(CC[C@@H]1C)CC[C@@](CCCC)(OC(=O)CCC(=O)OC)[C@@]([H])(O2)\C=C\C(\C)=C\C(O)=O
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RIKEN (The Institute of Physical and Chemical Research)

Curated by ChEMBL




Bioorg Med Chem Lett 12: 3363-6 (2002)

More data for this
Ligand-Target Pair
Isoleucyl-tRNA synthetase


(Rattus norvegicus)
BDBM50217933
PNG
(CHEMBL115057)
Show SMILES [H][C@]1(C\C=C(/C)\C=C\[C@H](O[SiH2]C(C)(C)C)[C@@H](C)\C=C\C(O)=O)O[C@]2(CC[C@@H]1C)CC[C@@](CCCC)(OC(=O)CCC(O)=O)[C@@]([H])(O2)\C=C\C(\C)=C\C(O)=O
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RIKEN (The Institute of Physical and Chemical Research)

Curated by ChEMBL




Bioorg Med Chem Lett 12: 3363-6 (2002)

More data for this
Ligand-Target Pair
Isoleucyl-tRNA synthetase


(Rattus norvegicus)
BDBM50217936
PNG
(CHEMBL115949)
Show SMILES [H][C@]1(CCC(C)CC[C@H](O)[C@@H](C)CCC(O)=O)O[C@]2(CC[C@@H]1C)CC[C@@](CCCC)(OC(=O)CCC(O)=O)[C@]([H])(CCC(C)CC(O)=O)O2
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RIKEN (The Institute of Physical and Chemical Research)

Curated by ChEMBL




Bioorg Med Chem Lett 12: 3363-6 (2002)

More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50355951
PNG
(CHEMBL1910420)
Show SMILES CCS(=O)(=O)[C@H]1C[C@H](Nc2ccc(cc12)[N+]([O-])=O)C(C)(C)CO |r|
Show InChI InChI=1S/C15H22N2O5S/c1-4-23(21,22)13-8-14(15(2,3)9-18)16-12-6-5-10(17(19)20)7-11(12)13/h5-7,13-14,16,18H,4,8-9H2,1-3H3/t13-,14-/m0/s1
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Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Competitive binding affinity to rat androgen receptor


Bioorg Med Chem Lett 21: 6310-3 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.08.118
BindingDB Entry DOI: 10.7270/Q2JH3MKZ
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50355948
PNG
(CHEMBL1910417)
Show SMILES CC(C)(CO)[C@@H]1C[C@H](NCc2ccccc2)c2cc(ccc2N1)[N+]([O-])=O |r|
Show InChI InChI=1S/C20H25N3O3/c1-20(2,13-24)19-11-18(21-12-14-6-4-3-5-7-14)16-10-15(23(25)26)8-9-17(16)22-19/h3-10,18-19,21-22,24H,11-13H2,1-2H3/t18-,19-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Competitive binding affinity to rat androgen receptor


Bioorg Med Chem Lett 21: 6310-3 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.08.118
BindingDB Entry DOI: 10.7270/Q2JH3MKZ
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50355947
PNG
(CHEMBL1910416)
Show SMILES CC(C)N\C([S-])=[NH+]/C1CC(Nc2ccc(cc12)[N+]([O-])=O)C(C)(C)CO
Show InChI InChI=1S/C17H26N4O3S/c1-10(2)18-16(25)20-14-8-15(17(3,4)9-22)19-13-6-5-11(21(23)24)7-12(13)14/h5-7,10,14-15,19,22H,8-9H2,1-4H3,(H2,18,20,25)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Competitive binding affinity to rat androgen receptor


Bioorg Med Chem Lett 21: 6310-3 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.08.118
BindingDB Entry DOI: 10.7270/Q2JH3MKZ
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50355946
PNG
(CHEMBL1910415)
Show SMILES CC(C)NC(=O)N[C@H]1C[C@H](Nc2ccc(cc12)[N+]([O-])=O)C(C)(C)CO |r|
Show InChI InChI=1S/C17H26N4O4/c1-10(2)18-16(23)20-14-8-15(17(3,4)9-22)19-13-6-5-11(21(24)25)7-12(13)14/h5-7,10,14-15,19,22H,8-9H2,1-4H3,(H2,18,20,23)/t14-,15-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Competitive binding affinity to rat androgen receptor


Bioorg Med Chem Lett 21: 6310-3 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.08.118
BindingDB Entry DOI: 10.7270/Q2JH3MKZ
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50355945
PNG
(CHEMBL1910414)
Show SMILES CC(C)C(=O)N[C@H]1C[C@H](Nc2ccc(cc12)[N+]([O-])=O)C(C)(C)CO |r|
Show InChI InChI=1S/C17H25N3O4/c1-10(2)16(22)19-14-8-15(17(3,4)9-21)18-13-6-5-11(20(23)24)7-12(13)14/h5-7,10,14-15,18,21H,8-9H2,1-4H3,(H,19,22)/t14-,15-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Competitive binding affinity to rat androgen receptor


Bioorg Med Chem Lett 21: 6310-3 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.08.118
BindingDB Entry DOI: 10.7270/Q2JH3MKZ
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50355944
PNG
(CHEMBL1910413)
Show SMILES CC(C)(CO)[C@@H]1C[C@H](N)c2cc(ccc2N1)[N+]([O-])=O |r|
Show InChI InChI=1S/C13H19N3O3/c1-13(2,7-17)12-6-10(14)9-5-8(16(18)19)3-4-11(9)15-12/h3-5,10,12,15,17H,6-7,14H2,1-2H3/t10-,12-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Competitive binding affinity to rat androgen receptor


Bioorg Med Chem Lett 21: 6310-3 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.08.118
BindingDB Entry DOI: 10.7270/Q2JH3MKZ
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50355943
PNG
(CHEMBL1910412)
Show SMILES CC(C)(CO)[C@@H]1C[C@H](NC=O)c2cc(ccc2N1)[N+]([O-])=O |r|
Show InChI InChI=1S/C14H19N3O4/c1-14(2,7-18)13-6-12(15-8-19)10-5-9(17(20)21)3-4-11(10)16-13/h3-5,8,12-13,16,18H,6-7H2,1-2H3,(H,15,19)/t12-,13-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Competitive binding affinity to rat androgen receptor


Bioorg Med Chem Lett 21: 6310-3 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.08.118
BindingDB Entry DOI: 10.7270/Q2JH3MKZ
More data for this
Ligand-Target Pair
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