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Compile Data Set for Download or QSAR

Found 3019 hits with Last Name = 'kaku' and Initial = 't'   
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))
BDBM50366207
PNG
(CHEMBL1957612)
Show SMILES Cc1nn(c(C)c1Cc1ccc(F)cc1)-c1ccc(C#N)c(Cl)c1
Show InChI InChI=1S/C19H15ClFN3/c1-12-18(9-14-3-6-16(21)7-4-14)13(2)24(23-12)17-8-5-15(11-22)19(20)10-17/h3-8,10H,9H2,1-2H3
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n/an/a 0.470n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Displacement of [17-alpha-methyl-3H]mibolerone from androgen receptor expressed in HEK293 cells after 3 hrs


Bioorg Med Chem 20: 2338-52 (2012)


Article DOI: 10.1016/j.bmc.2012.02.005
BindingDB Entry DOI: 10.7270/Q2H995PT
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50366208
PNG
(CHEMBL1957613)
Show SMILES Cc1nn(c(C)c1Cc1ccc(F)cc1)-c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C20H15F4N3/c1-12-18(9-14-3-6-16(21)7-4-14)13(2)27(26-12)17-8-5-15(11-25)19(10-17)20(22,23)24/h3-8,10H,9H2,1-2H3
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n/an/a 1.40n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Displacement of [17-alpha-methyl-3H]mibolerone from androgen receptor expressed in HEK293 cells after 3 hrs


Bioorg Med Chem 20: 2338-52 (2012)


Article DOI: 10.1016/j.bmc.2012.02.005
BindingDB Entry DOI: 10.7270/Q2H995PT
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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n/an/a 2.10n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type Androgen receptor (unknown origin) expressed in Freestyle293F cells


Bioorg Med Chem 21: 70-83 (2012)


Article DOI: 10.1016/j.bmc.2012.11.001
BindingDB Entry DOI: 10.7270/Q2QC04VS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM106687
PNG
(US8586571, 50)
Show SMILES CC(C)(C)c1ccccc1OC1CCN(CC1)C(=O)c1ccccn1
Show InChI InChI=1S/C21H26N2O2/c1-21(2,3)17-8-4-5-10-19(17)25-16-11-14-23(15-12-16)20(24)18-9-6-7-13-22-18/h4-10,13,16H,11-12,14-15H2,1-3H3
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US Patent
n/an/a 5n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The action of the compound of the present invention to inhibit binding of RBP4 and retinol and TTR was evaluated using the Retinol-RBP4-TTR ELISA (hu...


US Patent US8586571 (2013)


BindingDB Entry DOI: 10.7270/Q26W98QK
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50358192
PNG
(CHEMBL1921975)
Show SMILES CNC(=O)c1ccc2cc(ccc2c1)[C@@](O)(C(C)C)c1cnc[nH]1 |r|
Show InChI InChI=1S/C19H21N3O2/c1-12(2)19(24,17-10-21-11-22-17)16-7-6-13-8-15(18(23)20-3)5-4-14(13)9-16/h4-12,24H,1-3H3,(H,20,23)(H,21,22)/t19-/m0/s1
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n/an/a 5.5n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of 17,20-lyase activity of human CYP17A1


Bioorg Med Chem 19: 6383-99 (2011)


Article DOI: 10.1016/j.bmc.2011.08.066
BindingDB Entry DOI: 10.7270/Q2X63NDF
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Rattus norvegicus (Rat))
BDBM50338363
PNG
(CHEMBL1682893 | rac-6-[1-Hydroxy-1-(1H-imidazol-4-...)
Show SMILES CNC(=O)c1ccc2cc(ccc2c1)C(O)(C(C)C)c1cnc[nH]1
Show InChI InChI=1S/C19H21N3O2/c1-12(2)19(24,17-10-21-11-22-17)16-7-6-13-8-15(18(23)20-3)5-4-14(13)9-16/h4-12,24H,1-3H3,(H,20,23)(H,21,22)
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n/an/a 6n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of 17,20 lyase activity in Sprague-Dawley rat testicular microsomes


Bioorg Med Chem 19: 1751-70 (2011)


Article DOI: 10.1016/j.bmc.2011.01.017
BindingDB Entry DOI: 10.7270/Q2X92C9F
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Rattus norvegicus (Rat))
BDBM50338363
PNG
(CHEMBL1682893 | rac-6-[1-Hydroxy-1-(1H-imidazol-4-...)
Show SMILES CNC(=O)c1ccc2cc(ccc2c1)C(O)(C(C)C)c1cnc[nH]1
Show InChI InChI=1S/C19H21N3O2/c1-12(2)19(24,17-10-21-11-22-17)16-7-6-13-8-15(18(23)20-3)5-4-14(13)9-16/h4-12,24H,1-3H3,(H,20,23)(H,21,22)
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n/an/a 6.10n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of 17,20-lyase activity of Sprague-Dawley rat testicular microsomal CYP17A1 using [1,2-3H]-17a-hydroxyprogesterone as substrate after 15 m...


Bioorg Med Chem 19: 6383-99 (2011)


Article DOI: 10.1016/j.bmc.2011.08.066
BindingDB Entry DOI: 10.7270/Q2X63NDF
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50428555
PNG
(CHEMBL2337509)
Show SMILES C[C@@H]1N(CC[C@@]1(O)c1ccc(F)cc1)c1ccc(C#N)c(Cl)c1 |r|
Show InChI InChI=1S/C18H16ClFN2O/c1-12-18(23,14-3-5-15(20)6-4-14)8-9-22(12)16-7-2-13(11-21)17(19)10-16/h2-7,10,12,23H,8-9H2,1H3/t12-,18-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type Androgen receptor (unknown origin) expressed in Freestyle293F cells


Bioorg Med Chem 21: 70-83 (2012)


Article DOI: 10.1016/j.bmc.2012.11.001
BindingDB Entry DOI: 10.7270/Q2QC04VS
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Rattus norvegicus (Rat))
BDBM50342169
PNG
(CHEMBL1766170 | rac-1-(4'-Fluoro[1,1'-biphenyl]-3-...)
Show SMILES CC(C)C(O)(c1cnc[nH]1)c1cccc(c1)-c1ccc(F)cc1
Show InChI InChI=1S/C19H19FN2O/c1-13(2)19(23,18-11-21-12-22-18)16-5-3-4-15(10-16)14-6-8-17(20)9-7-14/h3-13,23H,1-2H3,(H,21,22)
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n/an/a 8.30n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of 17,20 lyase activity in Sprague-Dawley rat testicular microsomes


Bioorg Med Chem 19: 2428-42 (2011)


Article DOI: 10.1016/j.bmc.2011.02.009
BindingDB Entry DOI: 10.7270/Q2FJ2H3G
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50428553
PNG
(CHEMBL2337511)
Show SMILES CNC(=O)c1ccc(cc1)[C@]1(O)CCN([C@H]1C)c1ccc(C#N)c(Cl)c1 |r|
Show InChI InChI=1S/C20H20ClN3O2/c1-13-20(26,16-6-3-14(4-7-16)19(25)23-2)9-10-24(13)17-8-5-15(12-22)18(21)11-17/h3-8,11,13,26H,9-10H2,1-2H3,(H,23,25)/t13-,20-/m0/s1
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n/an/a 8.60n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at wild type Androgen receptor (unknown origin) expressed in human Cos-7 cells co-expressing pGL3-MMTV-luc vector assessed as luc...


Bioorg Med Chem 21: 70-83 (2012)


Article DOI: 10.1016/j.bmc.2012.11.001
BindingDB Entry DOI: 10.7270/Q2QC04VS
More data for this
Ligand-Target Pair
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM106685
PNG
(US8586571, 17)
Show SMILES CC(C)(C)c1ccccc1SC1CN(C1)C(=O)c1ccccn1
Show InChI InChI=1S/C19H22N2OS/c1-19(2,3)15-8-4-5-10-17(15)23-14-12-21(13-14)18(22)16-9-6-7-11-20-16/h4-11,14H,12-13H2,1-3H3
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n/an/a 10n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The action of the compound of the present invention to inhibit binding of RBP4 and retinol and TTR was evaluated using the Retinol-RBP4-TTR ELISA (hu...


US Patent US8586571 (2013)


BindingDB Entry DOI: 10.7270/Q26W98QK
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Rattus norvegicus (Rat))
BDBM50342168
PNG
(CHEMBL1765101 | rac-1-(1H-Imidazol-4-yl)-1-(4'-met...)
Show SMILES COc1ccc(cc1)-c1cccc(c1)C(O)(C(C)C)c1cnc[nH]1
Show InChI InChI=1S/C20H22N2O2/c1-14(2)20(23,19-12-21-13-22-19)17-6-4-5-16(11-17)15-7-9-18(24-3)10-8-15/h4-14,23H,1-3H3,(H,21,22)
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n/an/a 10n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of 17,20 lyase activity in Sprague-Dawley rat testicular microsomes


Bioorg Med Chem 19: 2428-42 (2011)


Article DOI: 10.1016/j.bmc.2011.02.009
BindingDB Entry DOI: 10.7270/Q2FJ2H3G
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Rattus norvegicus (Rat))
BDBM50338349
PNG
(CHEMBL1682890 | rac-N'-{6-[1-Hydroxy-1-(1H-imidazo...)
Show SMILES CNC(=O)Nc1ccc2cc(ccc2c1)C(O)(C(C)C)c1cnc[nH]1
Show InChI InChI=1S/C19H22N4O2/c1-12(2)19(25,17-10-21-11-22-17)15-6-4-14-9-16(23-18(24)20-3)7-5-13(14)8-15/h4-12,25H,1-3H3,(H,21,22)(H2,20,23,24)
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n/an/a 11n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of 17,20 lyase activity in Sprague-Dawley rat testicular microsomes


Bioorg Med Chem 19: 1751-70 (2011)


Article DOI: 10.1016/j.bmc.2011.01.017
BindingDB Entry DOI: 10.7270/Q2X92C9F
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50428548
PNG
(CHEMBL2337516)
Show SMILES C[C@@H]1N(CC[C@@]1(O)c1ccc(nc1)N1CCCC1=O)c1ccc(C#N)c(Cl)c1 |r|
Show InChI InChI=1S/C21H21ClN4O2/c1-14-21(28,8-10-25(14)17-6-4-15(12-23)18(22)11-17)16-5-7-19(24-13-16)26-9-2-3-20(26)27/h4-7,11,13-14,28H,2-3,8-10H2,1H3/t14-,21-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at wild type Androgen receptor (unknown origin) expressed in human Cos-7 cells co-expressing pGL3-MMTV-luc vector assessed as luc...


Bioorg Med Chem 21: 70-83 (2012)


Article DOI: 10.1016/j.bmc.2012.11.001
BindingDB Entry DOI: 10.7270/Q2QC04VS
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Rattus norvegicus (Rat))
BDBM50338355
PNG
(CHEMBL1682894 | rac-N-Ethyl-6-[1-Hydroxy-1-(1H-imi...)
Show SMILES CCNC(=O)c1ccc2cc(ccc2c1)C(O)(C(C)C)c1cnc[nH]1
Show InChI InChI=1S/C20H23N3O2/c1-4-22-19(24)16-6-5-15-10-17(8-7-14(15)9-16)20(25,13(2)3)18-11-21-12-23-18/h5-13,25H,4H2,1-3H3,(H,21,23)(H,22,24)
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n/an/a 11n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of 17,20 lyase activity in Sprague-Dawley rat testicular microsomes


Bioorg Med Chem 19: 1751-70 (2011)


Article DOI: 10.1016/j.bmc.2011.01.017
BindingDB Entry DOI: 10.7270/Q2X92C9F
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Rattus norvegicus (Rat))
BDBM50338358
PNG
(CHEMBL1682896 | rac-6-[1-Hydroxy-1-(1H-imidazol-4-...)
Show SMILES CC(C)NC(=O)c1ccc2cc(ccc2c1)C(O)(C(C)C)c1cnc[nH]1
Show InChI InChI=1S/C21H25N3O2/c1-13(2)21(26,19-11-22-12-23-19)18-8-7-15-9-17(6-5-16(15)10-18)20(25)24-14(3)4/h5-14,26H,1-4H3,(H,22,23)(H,24,25)
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n/an/a 12n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of 17,20 lyase activity in Sprague-Dawley rat testicular microsomes


Bioorg Med Chem 19: 1751-70 (2011)


Article DOI: 10.1016/j.bmc.2011.01.017
BindingDB Entry DOI: 10.7270/Q2X92C9F
More data for this
Ligand-Target Pair
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM106694
PNG
(US8586571, 207)
Show SMILES CC(C)(C)c1cc(Cl)ccc1OCC1CN(C1)C(=O)C(O)=O
Show InChI InChI=1S/C16H20ClNO4/c1-16(2,3)12-6-11(17)4-5-13(12)22-9-10-7-18(8-10)14(19)15(20)21/h4-6,10H,7-9H2,1-3H3,(H,20,21)
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n/an/a 12n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The action of the compound of the present invention to inhibit binding of RBP4 and retinol and TTR was evaluated using the Retinol-RBP4-TTR ELISA (hu...


US Patent US8586571 (2013)


BindingDB Entry DOI: 10.7270/Q26W98QK
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Rattus norvegicus (Rat))
BDBM50338353
PNG
(CHEMBL1682899 | rac-6-[1-Hydroxy-1-(1H-imidazol-4-...)
Show SMILES CNC(=O)c1cc2ccc(cc2cc1C)C(O)(C(C)C)c1cnc[nH]1
Show InChI InChI=1S/C20H23N3O2/c1-12(2)20(25,18-10-22-11-23-18)16-6-5-14-9-17(19(24)21-4)13(3)7-15(14)8-16/h5-12,25H,1-4H3,(H,21,24)(H,22,23)
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n/an/a 12n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of 17,20 lyase activity in Sprague-Dawley rat testicular microsomes


Bioorg Med Chem 19: 1751-70 (2011)


Article DOI: 10.1016/j.bmc.2011.01.017
BindingDB Entry DOI: 10.7270/Q2X92C9F
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Rattus norvegicus (Rat))
BDBM50338351
PNG
(CHEMBL1682895 | rac-6-[1-Hydroxy-1-(1H-imidazol-4-...)
Show SMILES CCCNC(=O)c1ccc2cc(ccc2c1)C(O)(C(C)C)c1cnc[nH]1
Show InChI InChI=1S/C21H25N3O2/c1-4-9-23-20(25)17-6-5-16-11-18(8-7-15(16)10-17)21(26,14(2)3)19-12-22-13-24-19/h5-8,10-14,26H,4,9H2,1-3H3,(H,22,24)(H,23,25)
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n/an/a 13n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of 17,20 lyase activity in Sprague-Dawley rat testicular microsomes


Bioorg Med Chem 19: 1751-70 (2011)


Article DOI: 10.1016/j.bmc.2011.01.017
BindingDB Entry DOI: 10.7270/Q2X92C9F
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50358195
PNG
(CHEMBL1921979)
Show SMILES CNC(=O)c1ccc2cc(ccc2c1)C1CCn2cncc12
Show InChI InChI=1S/C18H17N3O/c1-19-18(22)15-5-3-12-8-14(4-2-13(12)9-15)16-6-7-21-11-20-10-17(16)21/h2-5,8-11,16H,6-7H2,1H3,(H,19,22)
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n/an/a 13n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of 17,20-lyase activity of human CYP17A1


Bioorg Med Chem 19: 6383-99 (2011)


Article DOI: 10.1016/j.bmc.2011.08.066
BindingDB Entry DOI: 10.7270/Q2X63NDF
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50428548
PNG
(CHEMBL2337516)
Show SMILES C[C@@H]1N(CC[C@@]1(O)c1ccc(nc1)N1CCCC1=O)c1ccc(C#N)c(Cl)c1 |r|
Show InChI InChI=1S/C21H21ClN4O2/c1-14-21(28,8-10-25(14)17-6-4-15(12-23)18(22)11-17)16-5-7-19(24-13-16)26-9-2-3-20(26)27/h4-7,11,13-14,28H,2-3,8-10H2,1H3/t14-,21-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type Androgen receptor (unknown origin) expressed in Freestyle293F cells


Bioorg Med Chem 21: 70-83 (2012)


Article DOI: 10.1016/j.bmc.2012.11.001
BindingDB Entry DOI: 10.7270/Q2QC04VS
More data for this
Ligand-Target Pair
Cytochrome P450c11B3


(Rattus norvegicus)
BDBM50338356
PNG
((+)-7-[1-Hydroxy-1-(1H-imidazol-4-yl)-2-methylprop...)
Show SMILES CC(C)C(O)(c1cnc[nH]1)c1ccc2c3CNC(=O)c3ccc2c1
Show InChI InChI=1S/C19H19N3O2/c1-11(2)19(24,17-9-20-10-22-17)13-4-6-14-12(7-13)3-5-15-16(14)8-21-18(15)23/h3-7,9-11,24H,8H2,1-2H3,(H,20,22)(H,21,23)
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n/an/a 13n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of 11-hydroxylase activity in Sprague-Dawley rat adrenal gland


Bioorg Med Chem 19: 1751-70 (2011)


Article DOI: 10.1016/j.bmc.2011.01.017
BindingDB Entry DOI: 10.7270/Q2X92C9F
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Rattus norvegicus (Rat))
BDBM50342186
PNG
((S)-N-(4'-(1-hydroxy-1-(1H-imidazol-4-yl)-2-methyl...)
Show SMILES CC(C)[C@@](O)(c1cnc[nH]1)c1ccc(cc1)-c1cccc(NC(C)=O)c1 |r|
Show InChI InChI=1S/C21H23N3O2/c1-14(2)21(26,20-12-22-13-23-20)18-9-7-16(8-10-18)17-5-4-6-19(11-17)24-15(3)25/h4-14,26H,1-3H3,(H,22,23)(H,24,25)/t21-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of 17,20 lyase activity in Sprague-Dawley rat testicular microsomes


Bioorg Med Chem 19: 2428-42 (2011)


Article DOI: 10.1016/j.bmc.2011.02.009
BindingDB Entry DOI: 10.7270/Q2FJ2H3G
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Rattus norvegicus (Rat))
BDBM50338362
PNG
(CHEMBL1682888 | rac-1-{6-[1-Hydroxy-1-(1H-imidazol...)
Show SMILES CC(C)C(O)(c1cnc[nH]1)c1ccc2cc(ccc2c1)C(C)=O
Show InChI InChI=1S/C19H20N2O2/c1-12(2)19(23,18-10-20-11-21-18)17-7-6-15-8-14(13(3)22)4-5-16(15)9-17/h4-12,23H,1-3H3,(H,20,21)
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n/an/a 14n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of 17,20 lyase activity in Sprague-Dawley rat testicular microsomes


Bioorg Med Chem 19: 1751-70 (2011)


Article DOI: 10.1016/j.bmc.2011.01.017
BindingDB Entry DOI: 10.7270/Q2X92C9F
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Rattus norvegicus (Rat))
BDBM50338360
PNG
((+)-(R)-7-(1-hydroxy-1-(1H-imidazol-4-yl)-2-methyl...)
Show SMILES CC(C)[C@](O)(c1cnc[nH]1)c1ccc2c3CN(C)C(=O)c3ccc2c1 |r|
Show InChI InChI=1S/C20H21N3O2/c1-12(2)20(25,18-9-21-11-22-18)14-5-7-15-13(8-14)4-6-16-17(15)10-23(3)19(16)24/h4-9,11-12,25H,10H2,1-3H3,(H,21,22)/t20-/m1/s1
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n/an/a 15n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of 17,20 lyase activity in Sprague-Dawley rat testicular microsomes


Bioorg Med Chem 19: 1751-70 (2011)


Article DOI: 10.1016/j.bmc.2011.01.017
BindingDB Entry DOI: 10.7270/Q2X92C9F
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50338356
PNG
((+)-7-[1-Hydroxy-1-(1H-imidazol-4-yl)-2-methylprop...)
Show SMILES CC(C)C(O)(c1cnc[nH]1)c1ccc2c3CNC(=O)c3ccc2c1
Show InChI InChI=1S/C19H19N3O2/c1-11(2)19(24,17-9-20-10-22-17)13-4-6-14-12(7-13)3-5-15-16(14)8-21-18(15)23/h3-7,9-11,24H,8H2,1-2H3,(H,20,22)(H,21,23)
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n/an/a 15n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of 17,20 lyase activity in human


Bioorg Med Chem 19: 1751-70 (2011)


Article DOI: 10.1016/j.bmc.2011.01.017
BindingDB Entry DOI: 10.7270/Q2X92C9F
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Rattus norvegicus (Rat))
BDBM50358195
PNG
(CHEMBL1921979)
Show SMILES CNC(=O)c1ccc2cc(ccc2c1)C1CCn2cncc12
Show InChI InChI=1S/C18H17N3O/c1-19-18(22)15-5-3-12-8-14(4-2-13(12)9-15)16-6-7-21-11-20-10-17(16)21/h2-5,8-11,16H,6-7H2,1H3,(H,19,22)
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n/an/a 15n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of 17,20-lyase activity of Sprague-Dawley rat testicular microsomal CYP17A1 using [1,2-3H]-17a-hydroxyprogesterone as substrate after 15 m...


Bioorg Med Chem 19: 6383-99 (2011)


Article DOI: 10.1016/j.bmc.2011.08.066
BindingDB Entry DOI: 10.7270/Q2X63NDF
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Rattus norvegicus (Rat))
BDBM50342167
PNG
(CHEMBL1766169 | rac-1-[1,1'-biphenyl]-3-yl-1-(1H-i...)
Show SMILES CC(C)C(O)(c1cnc[nH]1)c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C19H20N2O/c1-14(2)19(22,18-12-20-13-21-18)17-10-6-9-16(11-17)15-7-4-3-5-8-15/h3-14,22H,1-2H3,(H,20,21)
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n/an/a 15n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of 17,20 lyase activity in Sprague-Dawley rat testicular microsomes


Bioorg Med Chem 19: 2428-42 (2011)


Article DOI: 10.1016/j.bmc.2011.02.009
BindingDB Entry DOI: 10.7270/Q2FJ2H3G
More data for this
Ligand-Target Pair
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM106691
PNG
(US8586571, 164)
Show SMILES CC(C)(C)c1cc(Cl)ccc1OC1CN(C1)C(=O)c1ccccn1
Show InChI InChI=1S/C19H21ClN2O2/c1-19(2,3)15-10-13(20)7-8-17(15)24-14-11-22(12-14)18(23)16-6-4-5-9-21-16/h4-10,14H,11-12H2,1-3H3
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US Patent
n/an/a 15n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The action of the compound of the present invention to inhibit binding of RBP4 and retinol and TTR was evaluated using the Retinol-RBP4-TTR ELISA (hu...


US Patent US8586571 (2013)


BindingDB Entry DOI: 10.7270/Q26W98QK
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50366216
PNG
(CHEMBL1957621)
Show SMILES Cc1nn(c(C)c1Cc1ccc(cc1)C(N)=O)-c1ccc(C#N)c(Cl)c1
Show InChI InChI=1S/C20H17ClN4O/c1-12-18(9-14-3-5-15(6-4-14)20(23)26)13(2)25(24-12)17-8-7-16(11-22)19(21)10-17/h3-8,10H,9H2,1-2H3,(H2,23,26)
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n/an/a 16n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Displacement of [17-alpha-methyl-3H]mibolerone from androgen receptor expressed in HEK293 cells after 3 hrs


Bioorg Med Chem 20: 2338-52 (2012)


Article DOI: 10.1016/j.bmc.2012.02.005
BindingDB Entry DOI: 10.7270/Q2H995PT
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50338363
PNG
(CHEMBL1682893 | rac-6-[1-Hydroxy-1-(1H-imidazol-4-...)
Show SMILES CNC(=O)c1ccc2cc(ccc2c1)C(O)(C(C)C)c1cnc[nH]1
Show InChI InChI=1S/C19H21N3O2/c1-12(2)19(24,17-10-21-11-22-17)16-7-6-13-8-15(18(23)20-3)5-4-14(13)9-16/h4-12,24H,1-3H3,(H,20,23)(H,21,22)
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n/an/a 16n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of 17,20-lyase activity of human CYP17A1


Bioorg Med Chem 19: 6383-99 (2011)


Article DOI: 10.1016/j.bmc.2011.08.066
BindingDB Entry DOI: 10.7270/Q2X63NDF
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50338363
PNG
(CHEMBL1682893 | rac-6-[1-Hydroxy-1-(1H-imidazol-4-...)
Show SMILES CNC(=O)c1ccc2cc(ccc2c1)C(O)(C(C)C)c1cnc[nH]1
Show InChI InChI=1S/C19H21N3O2/c1-12(2)19(24,17-10-21-11-22-17)16-7-6-13-8-15(18(23)20-3)5-4-14(13)9-16/h4-12,24H,1-3H3,(H,20,23)(H,21,22)
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n/an/a 16n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of 17,20 lyase activity in human


Bioorg Med Chem 19: 1751-70 (2011)


Article DOI: 10.1016/j.bmc.2011.01.017
BindingDB Entry DOI: 10.7270/Q2X92C9F
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50428554
PNG
(CHEMBL2337510)
Show SMILES C[C@@H]1N(CC[C@@]1(O)c1ccc(cc1)C(N)=O)c1ccc(C#N)c(Cl)c1 |r|
Show InChI InChI=1S/C19H18ClN3O2/c1-12-19(25,15-5-2-13(3-6-15)18(22)24)8-9-23(12)16-7-4-14(11-21)17(20)10-16/h2-7,10,12,25H,8-9H2,1H3,(H2,22,24)/t12-,19-/m0/s1
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n/an/a 17n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at wild type Androgen receptor (unknown origin) expressed in human Cos-7 cells co-expressing pGL3-MMTV-luc vector assessed as luc...


Bioorg Med Chem 21: 70-83 (2012)


Article DOI: 10.1016/j.bmc.2012.11.001
BindingDB Entry DOI: 10.7270/Q2QC04VS
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Rattus norvegicus (Rat))
BDBM50342175
PNG
(CHEMBL1766176 | rac-N-{4-[1-Hydroxy-1-(1H-imidazol...)
Show SMILES CC(C)C(O)(c1cnc[nH]1)c1ccc(cc1)-c1cccc(NC(C)=O)c1
Show InChI InChI=1S/C21H23N3O2/c1-14(2)21(26,20-12-22-13-23-20)18-9-7-16(8-10-18)17-5-4-6-19(11-17)24-15(3)25/h4-14,26H,1-3H3,(H,22,23)(H,24,25)
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n/an/a 17n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of 17,20 lyase activity in Sprague-Dawley rat testicular microsomes


Bioorg Med Chem 19: 2428-42 (2011)


Article DOI: 10.1016/j.bmc.2011.02.009
BindingDB Entry DOI: 10.7270/Q2FJ2H3G
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50428555
PNG
(CHEMBL2337509)
Show SMILES C[C@@H]1N(CC[C@@]1(O)c1ccc(F)cc1)c1ccc(C#N)c(Cl)c1 |r|
Show InChI InChI=1S/C18H16ClFN2O/c1-12-18(23,14-3-5-15(20)6-4-14)8-9-22(12)16-7-2-13(11-21)17(19)10-16/h2-7,10,12,23H,8-9H2,1H3/t12-,18-/m0/s1
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n/an/a 17n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at wild type Androgen receptor (unknown origin) expressed in human Cos-7 cells co-expressing pGL3-MMTV-luc vector assessed as luc...


Bioorg Med Chem 21: 70-83 (2012)


Article DOI: 10.1016/j.bmc.2012.11.001
BindingDB Entry DOI: 10.7270/Q2QC04VS
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50342167
PNG
(CHEMBL1766169 | rac-1-[1,1'-biphenyl]-3-yl-1-(1H-i...)
Show SMILES CC(C)C(O)(c1cnc[nH]1)c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C19H20N2O/c1-14(2)19(22,18-12-20-13-21-18)17-10-6-9-16(11-17)15-7-4-3-5-8-15/h3-14,22H,1-2H3,(H,20,21)
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n/an/a 18n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human 17,20 lyase activity


Bioorg Med Chem 19: 2428-42 (2011)


Article DOI: 10.1016/j.bmc.2011.02.009
BindingDB Entry DOI: 10.7270/Q2FJ2H3G
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50338356
PNG
((+)-7-[1-Hydroxy-1-(1H-imidazol-4-yl)-2-methylprop...)
Show SMILES CC(C)C(O)(c1cnc[nH]1)c1ccc2c3CNC(=O)c3ccc2c1
Show InChI InChI=1S/C19H19N3O2/c1-11(2)19(24,17-9-20-10-22-17)13-4-6-14-12(7-13)3-5-15-16(14)8-21-18(15)23/h3-7,9-11,24H,8H2,1-2H3,(H,20,22)(H,21,23)
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n/an/a 18n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of 17,20 lyase activity in human


Bioorg Med Chem 19: 1751-70 (2011)


Article DOI: 10.1016/j.bmc.2011.01.017
BindingDB Entry DOI: 10.7270/Q2X92C9F
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50338357
PNG
(CHEMBL1682903 | rac-6-[1-Hydroxy-1-(1H-imidazol-4-...)
Show SMILES CC(C)C(O)(c1cnc[nH]1)c1ccc2cc3C(=O)N(C)Cc3cc2c1
Show InChI InChI=1S/C20H21N3O2/c1-12(2)20(25,18-9-21-11-22-18)16-5-4-13-8-17-15(6-14(13)7-16)10-23(3)19(17)24/h4-9,11-12,25H,10H2,1-3H3,(H,21,22)
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n/an/a 19n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of 17,20 lyase activity in human


Bioorg Med Chem 19: 1751-70 (2011)


Article DOI: 10.1016/j.bmc.2011.01.017
BindingDB Entry DOI: 10.7270/Q2X92C9F
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50338365
PNG
((-)-(S)-7-(1-hydroxy-1-(1H-imidazol-4-yl)-2-methyl...)
Show SMILES CC(C)[C@@](O)(c1cnc[nH]1)c1ccc2c3CN(C)C(=O)c3ccc2c1 |r|
Show InChI InChI=1S/C20H21N3O2/c1-12(2)20(25,18-9-21-11-22-18)14-5-7-15-13(8-14)4-6-16-17(15)10-23(3)19(16)24/h4-9,11-12,25H,10H2,1-3H3,(H,21,22)/t20-/m0/s1
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n/an/a 19n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of 17,20 lyase activity in human


Bioorg Med Chem 19: 1751-70 (2011)


Article DOI: 10.1016/j.bmc.2011.01.017
BindingDB Entry DOI: 10.7270/Q2X92C9F
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50358201
PNG
(CHEMBL1921976 | US9611270, orteronel)
Show SMILES CNC(=O)c1ccc2cc(ccc2c1)[C@@]1(O)CCn2cncc12 |r|
Show InChI InChI=1S/C18H17N3O2/c1-19-17(22)14-3-2-13-9-15(5-4-12(13)8-14)18(23)6-7-21-11-20-10-16(18)21/h2-5,8-11,23H,6-7H2,1H3,(H,19,22)/t18-/m0/s1
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n/an/a 19n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of 17,20-lyase activity of human CYP17A1


Bioorg Med Chem 19: 6383-99 (2011)


Article DOI: 10.1016/j.bmc.2011.08.066
BindingDB Entry DOI: 10.7270/Q2X63NDF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cytochrome P450 17A1


(Rattus norvegicus (Rat))
BDBM50342190
PNG
((S)-N-(4'-(1-hydroxy-1-(1H-imidazol-4-yl)propyl)bi...)
Show SMILES CC[C@@](O)(c1cnc[nH]1)c1ccc(cc1)-c1cccc(NC(C)=O)c1 |r|
Show InChI InChI=1S/C20H21N3O2/c1-3-20(25,19-12-21-13-22-19)17-9-7-15(8-10-17)16-5-4-6-18(11-16)23-14(2)24/h4-13,25H,3H2,1-2H3,(H,21,22)(H,23,24)/t20-/m0/s1
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n/an/a 19n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of 17,20 lyase activity in Sprague-Dawley rat testicular microsomes


Bioorg Med Chem 19: 2428-42 (2011)


Article DOI: 10.1016/j.bmc.2011.02.009
BindingDB Entry DOI: 10.7270/Q2FJ2H3G
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50342169
PNG
(CHEMBL1766170 | rac-1-(4'-Fluoro[1,1'-biphenyl]-3-...)
Show SMILES CC(C)C(O)(c1cnc[nH]1)c1cccc(c1)-c1ccc(F)cc1
Show InChI InChI=1S/C19H19FN2O/c1-13(2)19(23,18-11-21-12-22-18)16-5-3-4-15(10-16)14-6-8-17(20)9-7-14/h3-13,23H,1-2H3,(H,21,22)
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n/an/a 19n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human 17,20 lyase activity


Bioorg Med Chem 19: 2428-42 (2011)


Article DOI: 10.1016/j.bmc.2011.02.009
BindingDB Entry DOI: 10.7270/Q2FJ2H3G
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Rattus norvegicus (Rat))
BDBM50342170
PNG
(CHEMBL1766171 | rac-1-(4'-Chloro[1,1'-biphenyl]-3-...)
Show SMILES CC(C)C(O)(c1cnc[nH]1)c1cccc(c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C19H19ClN2O/c1-13(2)19(23,18-11-21-12-22-18)16-5-3-4-15(10-16)14-6-8-17(20)9-7-14/h3-13,23H,1-2H3,(H,21,22)
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n/an/a 19n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of 17,20 lyase activity in Sprague-Dawley rat testicular microsomes


Bioorg Med Chem 19: 2428-42 (2011)


Article DOI: 10.1016/j.bmc.2011.02.009
BindingDB Entry DOI: 10.7270/Q2FJ2H3G
More data for this
Ligand-Target Pair
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM106688
PNG
(US8586571, 80)
Show SMILES CC(C)(C)c1cc(F)ccc1OC1CN(C1)C(=O)CCC(O)=O
Show InChI InChI=1S/C17H22FNO4/c1-17(2,3)13-8-11(18)4-5-14(13)23-12-9-19(10-12)15(20)6-7-16(21)22/h4-5,8,12H,6-7,9-10H2,1-3H3,(H,21,22)
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US Patent
n/an/a 20n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The action of the compound of the present invention to inhibit binding of RBP4 and retinol and TTR was evaluated using the Retinol-RBP4-TTR ELISA (hu...


US Patent US8586571 (2013)


BindingDB Entry DOI: 10.7270/Q26W98QK
More data for this
Ligand-Target Pair
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM106681
PNG
(US8586571, 6)
Show SMILES CC(C)(C)c1cc(F)ccc1OC1CN(C1)C(=O)c1ccccn1
Show InChI InChI=1S/C19H21FN2O2/c1-19(2,3)15-10-13(20)7-8-17(15)24-14-11-22(12-14)18(23)16-6-4-5-9-21-16/h4-10,14H,11-12H2,1-3H3
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n/an/a 20n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The action of the compound of the present invention to inhibit binding of RBP4 and retinol and TTR was evaluated using the Retinol-RBP4-TTR ELISA (hu...


US Patent US8586571 (2013)


BindingDB Entry DOI: 10.7270/Q26W98QK
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50342179
PNG
(CHEMBL1766180 | rac-N-{4'-[1-Hydroxy-1-(1H-imidazo...)
Show SMILES CNC(=O)Nc1cccc(c1)-c1ccc(cc1)C(O)(C(C)C)c1cnc[nH]1
Show InChI InChI=1S/C21H24N4O2/c1-14(2)21(27,19-12-23-13-24-19)17-9-7-15(8-10-17)16-5-4-6-18(11-16)25-20(26)22-3/h4-14,27H,1-3H3,(H,23,24)(H2,22,25,26)
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n/an/a 21n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human 17,20 lyase activity


Bioorg Med Chem 19: 2428-42 (2011)


Article DOI: 10.1016/j.bmc.2011.02.009
BindingDB Entry DOI: 10.7270/Q2FJ2H3G
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Rattus norvegicus (Rat))
BDBM50338366
PNG
((S)-1-(1H-imidazol-4-yl)-1-(6-methoxynaphthalen-2-...)
Show SMILES COc1ccc2cc(ccc2c1)[C@@](O)(C(C)C)c1cnc[nH]1 |r|
Show InChI InChI=1S/C18H20N2O2/c1-12(2)18(21,17-10-19-11-20-17)15-6-4-14-9-16(22-3)7-5-13(14)8-15/h4-12,21H,1-3H3,(H,19,20)/t18-/m0/s1
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n/an/a 21n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of 17,20 lyase activity in Sprague-Dawley rat testicular microsomes


Bioorg Med Chem 19: 1751-70 (2011)


Article DOI: 10.1016/j.bmc.2011.01.017
BindingDB Entry DOI: 10.7270/Q2X92C9F
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50342190
PNG
((S)-N-(4'-(1-hydroxy-1-(1H-imidazol-4-yl)propyl)bi...)
Show SMILES CC[C@@](O)(c1cnc[nH]1)c1ccc(cc1)-c1cccc(NC(C)=O)c1 |r|
Show InChI InChI=1S/C20H21N3O2/c1-3-20(25,19-12-21-13-22-19)17-9-7-15(8-10-17)16-5-4-6-18(11-16)23-14(2)24/h4-13,25H,3H2,1-2H3,(H,21,22)(H,23,24)/t20-/m0/s1
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n/an/a 22n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human 17,20 lyase activity


Bioorg Med Chem 19: 2428-42 (2011)


Article DOI: 10.1016/j.bmc.2011.02.009
BindingDB Entry DOI: 10.7270/Q2FJ2H3G
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50338360
PNG
((+)-(R)-7-(1-hydroxy-1-(1H-imidazol-4-yl)-2-methyl...)
Show SMILES CC(C)[C@](O)(c1cnc[nH]1)c1ccc2c3CN(C)C(=O)c3ccc2c1 |r|
Show InChI InChI=1S/C20H21N3O2/c1-12(2)20(25,18-9-21-11-22-18)14-5-7-15-13(8-14)4-6-16-17(15)10-23(3)19(16)24/h4-9,11-12,25H,10H2,1-3H3,(H,21,22)/t20-/m1/s1
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n/an/a 22n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of 17,20 lyase activity in human


Bioorg Med Chem 19: 1751-70 (2011)


Article DOI: 10.1016/j.bmc.2011.01.017
BindingDB Entry DOI: 10.7270/Q2X92C9F
More data for this
Ligand-Target Pair
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM106690
PNG
(US8586571, 143)
Show SMILES CC(C)(C)c1cc(F)ccc1OCC1CN(C1)C(=O)CC(O)=O
Show InChI InChI=1S/C17H22FNO4/c1-17(2,3)13-6-12(18)4-5-14(13)23-10-11-8-19(9-11)15(20)7-16(21)22/h4-6,11H,7-10H2,1-3H3,(H,21,22)
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n/an/a 23n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The action of the compound of the present invention to inhibit binding of RBP4 and retinol and TTR was evaluated using the Retinol-RBP4-TTR ELISA (hu...


US Patent US8586571 (2013)


BindingDB Entry DOI: 10.7270/Q26W98QK
More data for this
Ligand-Target Pair
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