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Compile Data Set for Download or QSAR

Found 75 hits with Last Name = 'tsujimoto' and Initial = 's'   
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
Steroid 17-alpha-hydroxylase/17,20 lyase


(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
Steroid 17-alpha-hydroxylase/17,20 lyase


(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
Steroid 17-alpha-hydroxylase/17,20 lyase


(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
Steroid 17-alpha-hydroxylase/17,20 lyase


(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
Steroid 17-alpha-hydroxylase/17,20 lyase


(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
Steroid 17-alpha-hydroxylase/17,20 lyase


(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
Steroid 17-alpha-hydroxylase/17,20 lyase


(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
Steroid 17-alpha-hydroxylase/17,20 lyase


(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
Steroid 17-alpha-hydroxylase/17,20 lyase


(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
Steroid 17-alpha-hydroxylase/17,20 lyase


(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
Steroid 17-alpha-hydroxylase/17,20 lyase


(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
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))
BDBM50342176
PNG
(CHEMBL1766177 | rac-N-{4'-[1-Hydroxy-1-(1H-imidazo...)
Show SMILES CC(C)C(O)(c1cnc[nH]1)c1ccc(cc1)-c1ccc(NC(C)=O)cc1
Show InChI InChI=1S/C21H23N3O2/c1-14(2)21(26,20-12-22-13-23-20)18-8-4-16(5-9-18)17-6-10-19(11-7-17)24-15(3)25/h4-14,26H,1-3H3,(H,22,23)(H,24,25)
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n/an/a 24n/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
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))
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 24n/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
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))
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 24n/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
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))
BDBM50342183
PNG
(CHEMBL1766184 | rac-N-[4'-[1-Hydroxy-1-(1H-imidazo...)
Show SMILES CCC(O)(c1cnc[nH]1)c1ccc(cc1)-c1cccc(NC(C)=O)c1
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)
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n/an/a 25n/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
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))
BDBM50342188
PNG
((S)-N-(6-(4-(1-hydroxy-1-(1H-imidazol-4-yl)-2-meth...)
Show SMILES CC(C)[C@@](O)(c1cnc[nH]1)c1ccc(cc1)-c1cccc(NC(C)=O)n1 |r|
Show InChI InChI=1S/C20H22N4O2/c1-13(2)20(26,18-11-21-12-22-18)16-9-7-15(8-10-16)17-5-4-6-19(24-17)23-14(3)25/h4-13,26H,1-3H3,(H,21,22)(H,23,24,25)/t20-/m0/s1
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n/an/a 26n/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
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))
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 26n/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
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))
BDBM50342173
PNG
(CHEMBL1766174 | rac-1-(4'-Fluoro[1,1'-biphenyl]-4-...)
Show SMILES CC(C)C(O)(c1cnc[nH]1)c1ccc(cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C19H19FN2O/c1-13(2)19(23,18-11-21-12-22-18)16-7-3-14(4-8-16)15-5-9-17(20)10-6-15/h3-13,23H,1-2H3,(H,21,22)
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n/an/a 27n/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
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))
BDBM50342174
PNG
(CHEMBL1766175 | rac-1-(4'-Chloro[1,1'-biphenyl]-4-...)
Show SMILES CC(C)C(O)(c1cnc[nH]1)c1ccc(cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C19H19ClN2O/c1-13(2)19(23,18-11-21-12-22-18)16-7-3-14(4-8-16)15-5-9-17(20)10-6-15/h3-13,23H,1-2H3,(H,21,22)
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n/an/a 28n/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
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))
BDBM50342173
PNG
(CHEMBL1766174 | rac-1-(4'-Fluoro[1,1'-biphenyl]-4-...)
Show SMILES CC(C)C(O)(c1cnc[nH]1)c1ccc(cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C19H19FN2O/c1-13(2)19(23,18-11-21-12-22-18)16-7-3-14(4-8-16)15-5-9-17(20)10-6-15/h3-13,23H,1-2H3,(H,21,22)
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n/an/a 28n/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
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))
BDBM50342174
PNG
(CHEMBL1766175 | rac-1-(4'-Chloro[1,1'-biphenyl]-4-...)
Show SMILES CC(C)C(O)(c1cnc[nH]1)c1ccc(cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C19H19ClN2O/c1-13(2)19(23,18-11-21-12-22-18)16-7-3-14(4-8-16)15-5-9-17(20)10-6-15/h3-13,23H,1-2H3,(H,21,22)
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n/an/a 29n/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
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))
BDBM50342171
PNG
(CHEMBL1766172 | rac-1-[1,1'-Biphenyl]-4-yl-1-(1H-i...)
Show SMILES CC(C)C(O)(c1cnc[nH]1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C19H20N2O/c1-14(2)19(22,18-12-20-13-21-18)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-14,22H,1-2H3,(H,20,21)
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n/an/a 33n/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
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))
BDBM50342188
PNG
((S)-N-(6-(4-(1-hydroxy-1-(1H-imidazol-4-yl)-2-meth...)
Show SMILES CC(C)[C@@](O)(c1cnc[nH]1)c1ccc(cc1)-c1cccc(NC(C)=O)n1 |r|
Show InChI InChI=1S/C20H22N4O2/c1-13(2)20(26,18-11-21-12-22-18)16-9-7-15(8-10-16)17-5-4-6-19(24-17)23-14(3)25/h4-13,26H,1-3H3,(H,21,22)(H,23,24,25)/t20-/m0/s1
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n/an/a 33n/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
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))
BDBM50342171
PNG
(CHEMBL1766172 | rac-1-[1,1'-Biphenyl]-4-yl-1-(1H-i...)
Show SMILES CC(C)C(O)(c1cnc[nH]1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C19H20N2O/c1-14(2)19(22,18-12-20-13-21-18)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-14,22H,1-2H3,(H,20,21)
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n/an/a 33n/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
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))
BDBM50342181
PNG
(CHEMBL1766182 | rac-N-{6-(4-[1-Hydroxy-1-(1H-imida...)
Show SMILES CC(C)C(O)(c1cnc[nH]1)c1ccc(cc1)-c1cccc(NC(C)=O)n1
Show InChI InChI=1S/C20H22N4O2/c1-13(2)20(26,18-11-21-12-22-18)16-9-7-15(8-10-16)17-5-4-6-19(24-17)23-14(3)25/h4-13,26H,1-3H3,(H,21,22)(H,23,24,25)
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n/an/a 36n/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
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))
BDBM50342182
PNG
(CHEMBL1766183 | rac-N-[4'-[1-Hydroxy-1-(1H-imidazo...)
Show SMILES CC(=O)Nc1cccc(c1)-c1ccc(cc1)C(C)(O)c1cnc[nH]1
Show InChI InChI=1S/C19H19N3O2/c1-13(23)22-17-5-3-4-15(10-17)14-6-8-16(9-7-14)19(2,24)18-11-20-12-21-18/h3-12,24H,1-2H3,(H,20,21)(H,22,23)
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n/an/a 38n/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
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))
BDBM50342183
PNG
(CHEMBL1766184 | rac-N-[4'-[1-Hydroxy-1-(1H-imidazo...)
Show SMILES CCC(O)(c1cnc[nH]1)c1ccc(cc1)-c1cccc(NC(C)=O)c1
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)
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n/an/a 40n/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
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))
BDBM50342177
PNG
(CHEMBL1766178 | rac-4'-[1-Hydroxy1-(1H-imidazol-4-...)
Show SMILES CNC(=O)c1cccc(c1)-c1ccc(cc1)C(O)(C(C)C)c1cnc[nH]1
Show InChI InChI=1S/C21H23N3O2/c1-14(2)21(26,19-12-23-13-24-19)18-9-7-15(8-10-18)16-5-4-6-17(11-16)20(25)22-3/h4-14,26H,1-3H3,(H,22,25)(H,23,24)
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n/an/a 44n/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
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))
BDBM50342184
PNG
(CHEMBL1766185 | rac-N-[4'-[Cyclopropyl(hydroxy)-1H...)
Show SMILES CC(=O)Nc1cccc(c1)-c1ccc(cc1)C(O)(C1CC1)c1cnc[nH]1
Show InChI InChI=1S/C21H21N3O2/c1-14(25)24-19-4-2-3-16(11-19)15-5-7-17(8-6-15)21(26,18-9-10-18)20-12-22-13-23-20/h2-8,11-13,18,26H,9-10H2,1H3,(H,22,23)(H,24,25)
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n/an/a 45n/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
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))
BDBM50342177
PNG
(CHEMBL1766178 | rac-4'-[1-Hydroxy1-(1H-imidazol-4-...)
Show SMILES CNC(=O)c1cccc(c1)-c1ccc(cc1)C(O)(C(C)C)c1cnc[nH]1
Show InChI InChI=1S/C21H23N3O2/c1-14(2)21(26,19-12-23-13-24-19)18-9-7-15(8-10-18)16-5-4-6-17(11-16)20(25)22-3/h4-14,26H,1-3H3,(H,22,25)(H,23,24)
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n/an/a 49n/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
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))
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 49n/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
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))
BDBM50342181
PNG
(CHEMBL1766182 | rac-N-{6-(4-[1-Hydroxy-1-(1H-imida...)
Show SMILES CC(C)C(O)(c1cnc[nH]1)c1ccc(cc1)-c1cccc(NC(C)=O)n1
Show InChI InChI=1S/C20H22N4O2/c1-13(2)20(26,18-11-21-12-22-18)16-9-7-15(8-10-16)17-5-4-6-19(24-17)23-14(3)25/h4-13,26H,1-3H3,(H,21,22)(H,23,24,25)
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n/an/a 53n/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
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))
BDBM50342172
PNG
(CHEMBL1766173 | rac-1-(1H-Imidazol-4-yl)-1-(4'-met...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)C(O)(C(C)C)c1cnc[nH]1
Show InChI InChI=1S/C20H22N2O2/c1-14(2)20(23,19-12-21-13-22-19)17-8-4-15(5-9-17)16-6-10-18(24-3)11-7-16/h4-14,23H,1-3H3,(H,21,22)
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n/an/a 54n/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
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))
BDBM50342182
PNG
(CHEMBL1766183 | rac-N-[4'-[1-Hydroxy-1-(1H-imidazo...)
Show SMILES CC(=O)Nc1cccc(c1)-c1ccc(cc1)C(C)(O)c1cnc[nH]1
Show InChI InChI=1S/C19H19N3O2/c1-13(23)22-17-5-3-4-15(10-17)14-6-8-16(9-7-14)19(2,24)18-11-20-12-21-18/h3-12,24H,1-2H3,(H,20,21)(H,22,23)
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n/an/a 62n/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
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))
BDBM50342178
PNG
(CHEMBL1766179 | rac-4'-[1-Hydroxy-1-(1H-imidazol-4...)
Show SMILES CNS(=O)(=O)c1cccc(c1)-c1ccc(cc1)C(O)(C(C)C)c1cnc[nH]1
Show InChI InChI=1S/C20H23N3O3S/c1-14(2)20(24,19-12-22-13-23-19)17-9-7-15(8-10-17)16-5-4-6-18(11-16)27(25,26)21-3/h4-14,21,24H,1-3H3,(H,22,23)
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n/an/a 71n/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
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))
BDBM50342185
PNG
(CHEMBL1766186 | rac-N-[4'-[1-Hydroxy(1H-imidazol-4...)
Show SMILES CC(=O)Nc1cccc(c1)-c1ccc(cc1)C(O)c1cnc[nH]1
Show InChI InChI=1S/C18H17N3O2/c1-12(22)21-16-4-2-3-15(9-16)13-5-7-14(8-6-13)18(23)17-10-19-11-20-17/h2-11,18,23H,1H3,(H,19,20)(H,21,22)
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n/an/a 77n/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
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))
BDBM50342184
PNG
(CHEMBL1766185 | rac-N-[4'-[Cyclopropyl(hydroxy)-1H...)
Show SMILES CC(=O)Nc1cccc(c1)-c1ccc(cc1)C(O)(C1CC1)c1cnc[nH]1
Show InChI InChI=1S/C21H21N3O2/c1-14(25)24-19-4-2-3-16(11-19)15-5-7-17(8-6-15)21(26,18-9-10-18)20-12-22-13-23-20/h2-8,11-13,18,26H,9-10H2,1H3,(H,22,23)(H,24,25)
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n/an/a 81n/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
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))
BDBM50342189
PNG
((R)-N-(6-(4-(1-hydroxy-1-(1H-imidazol-4-yl)-2-meth...)
Show SMILES CC(C)[C@](O)(c1cnc[nH]1)c1ccc(cc1)-c1cccc(NC(C)=O)n1 |r|
Show InChI InChI=1S/C20H22N4O2/c1-13(2)20(26,18-11-21-12-22-18)16-9-7-15(8-10-16)17-5-4-6-19(24-17)23-14(3)25/h4-13,26H,1-3H3,(H,21,22)(H,23,24,25)/t20-/m1/s1
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n/an/a 92n/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
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))
BDBM50342172
PNG
(CHEMBL1766173 | rac-1-(1H-Imidazol-4-yl)-1-(4'-met...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)C(O)(C(C)C)c1cnc[nH]1
Show InChI InChI=1S/C20H22N2O2/c1-14(2)20(23,19-12-21-13-22-19)17-8-4-15(5-9-17)16-6-10-18(24-3)11-7-16/h4-14,23H,1-3H3,(H,21,22)
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n/an/a 120n/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
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))
BDBM50342176
PNG
(CHEMBL1766177 | rac-N-{4'-[1-Hydroxy-1-(1H-imidazo...)
Show SMILES CC(C)C(O)(c1cnc[nH]1)c1ccc(cc1)-c1ccc(NC(C)=O)cc1
Show InChI InChI=1S/C21H23N3O2/c1-14(2)21(26,20-12-22-13-23-20)18-8-4-16(5-9-18)17-6-10-19(11-7-17)24-15(3)25/h4-14,26H,1-3H3,(H,22,23)(H,24,25)
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n/an/a 120n/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
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))
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 130n/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
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))
BDBM50342180
PNG
(CHEMBL1766181 | rac-1-(1H-Imidazol-4-yl)-2-methyl-...)
Show SMILES CC(C)C(O)(c1cnc[nH]1)c1ccc(cc1)-c1ccccn1
Show InChI InChI=1S/C18H19N3O/c1-13(2)18(22,17-11-19-12-21-17)15-8-6-14(7-9-15)16-5-3-4-10-20-16/h3-13,22H,1-2H3,(H,19,21)
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n/an/a 150n/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
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))
BDBM50342178
PNG
(CHEMBL1766179 | rac-4'-[1-Hydroxy-1-(1H-imidazol-4...)
Show SMILES CNS(=O)(=O)c1cccc(c1)-c1ccc(cc1)C(O)(C(C)C)c1cnc[nH]1
Show InChI InChI=1S/C20H23N3O3S/c1-14(2)20(24,19-12-22-13-23-19)17-9-7-15(8-10-17)16-5-4-6-18(11-16)27(25,26)21-3/h4-14,21,24H,1-3H3,(H,22,23)
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n/an/a 160n/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
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))
BDBM50342180
PNG
(CHEMBL1766181 | rac-1-(1H-Imidazol-4-yl)-2-methyl-...)
Show SMILES CC(C)C(O)(c1cnc[nH]1)c1ccc(cc1)-c1ccccn1
Show InChI InChI=1S/C18H19N3O/c1-13(2)18(22,17-11-19-12-21-17)15-8-6-14(7-9-15)16-5-3-4-10-20-16/h3-13,22H,1-2H3,(H,19,21)
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n/an/a 210n/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
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))
BDBM50342191
PNG
((R)-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-/m1/s1
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n/an/a 240n/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
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))
BDBM50342185
PNG
(CHEMBL1766186 | rac-N-[4'-[1-Hydroxy(1H-imidazol-4...)
Show SMILES CC(=O)Nc1cccc(c1)-c1ccc(cc1)C(O)c1cnc[nH]1
Show InChI InChI=1S/C18H17N3O2/c1-12(22)21-16-4-2-3-15(9-16)13-5-7-14(8-6-13)18(23)17-10-19-11-20-17/h2-11,18,23H,1H3,(H,19,20)(H,21,22)
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n/an/a 320n/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
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))
BDBM50342187
PNG
((R)-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-/m1/s1
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n/an/a 340n/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
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))
BDBM50342191
PNG
((R)-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-/m1/s1
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n/an/a 450n/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
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))
BDBM50342187
PNG
((R)-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-/m1/s1
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n/an/a 770n/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
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))
BDBM50342189
PNG
((R)-N-(6-(4-(1-hydroxy-1-(1H-imidazol-4-yl)-2-meth...)
Show SMILES CC(C)[C@](O)(c1cnc[nH]1)c1ccc(cc1)-c1cccc(NC(C)=O)n1 |r|
Show InChI InChI=1S/C20H22N4O2/c1-13(2)20(26,18-11-21-12-22-18)16-9-7-15(8-10-16)17-5-4-6-19(24-17)23-14(3)25/h4-13,26H,1-3H3,(H,21,22)(H,23,24,25)/t20-/m1/s1
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n/an/a>1.00E+3n/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
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