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Compile Data Set for Download or QSAR

Found 83 hits with Last Name = 'kazui' and Initial = 'y'   
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
Progesterone receptor


(Homo sapiens (Human))
BDBM50203153
PNG
(CHEMBL3927163)
Show SMILES FC(F)(F)c1cccc(c1)S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C19H14F3NO3S/c20-19(21,22)14-5-4-8-18(13-14)27(24,25)23-15-9-11-17(12-10-15)26-16-6-2-1-3-7-16/h1-13,23H
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n/an/a 33n/an/an/an/an/an/a



Tokyo Medical and Dental University

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor in human T47D cells incubated for 24 hrs in presence of P4 by alkaline phosphatase assay


ACS Med Chem Lett 7: 1028-1033 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00184
BindingDB Entry DOI: 10.7270/Q22Z17HW
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50203153
PNG
(CHEMBL3927163)
Show SMILES FC(F)(F)c1cccc(c1)S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C19H14F3NO3S/c20-19(21,22)14-5-4-8-18(13-14)27(24,25)23-15-9-11-17(12-10-15)26-16-6-2-1-3-7-16/h1-13,23H
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n/an/a 40n/an/an/an/an/an/a



Tokyo Medical and Dental University

Curated by ChEMBL


Assay Description
Displacement of [1,2,6,7-3H]-PG from recombinant human GST-tagged PR-LBD (657 to 933 residues) expressed in baculovirus infected insect cells measure...


ACS Med Chem Lett 7: 1028-1033 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00184
BindingDB Entry DOI: 10.7270/Q22Z17HW
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50203179
PNG
(CHEMBL3917144)
Show SMILES Brc1cccc(c1)S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C18H14BrNO3S/c19-14-5-4-8-18(13-14)24(21,22)20-15-9-11-17(12-10-15)23-16-6-2-1-3-7-16/h1-13,20H
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n/an/a 47n/an/an/an/an/an/a



Tokyo Medical and Dental University

Curated by ChEMBL


Assay Description
Displacement of [1,2,6,7-3H]-PG from recombinant human GST-tagged PR-LBD (657 to 933 residues) expressed in baculovirus infected insect cells measure...


ACS Med Chem Lett 7: 1028-1033 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00184
BindingDB Entry DOI: 10.7270/Q22Z17HW
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50203158
PNG
(CHEMBL3912293)
Show SMILES Clc1cccc(c1)S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C18H14ClNO3S/c19-14-5-4-8-18(13-14)24(21,22)20-15-9-11-17(12-10-15)23-16-6-2-1-3-7-16/h1-13,20H
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n/an/a 62n/an/an/an/an/an/a



Tokyo Medical and Dental University

Curated by ChEMBL


Assay Description
Displacement of [1,2,6,7-3H]-PG from recombinant human GST-tagged PR-LBD (657 to 933 residues) expressed in baculovirus infected insect cells measure...


ACS Med Chem Lett 7: 1028-1033 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00184
BindingDB Entry DOI: 10.7270/Q22Z17HW
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50203179
PNG
(CHEMBL3917144)
Show SMILES Brc1cccc(c1)S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C18H14BrNO3S/c19-14-5-4-8-18(13-14)24(21,22)20-15-9-11-17(12-10-15)23-16-6-2-1-3-7-16/h1-13,20H
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n/an/a 110n/an/an/an/an/an/a



Tokyo Medical and Dental University

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor in human T47D cells incubated for 24 hrs in presence of P4 by alkaline phosphatase assay


ACS Med Chem Lett 7: 1028-1033 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00184
BindingDB Entry DOI: 10.7270/Q22Z17HW
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50203195
PNG
(CHEMBL3942784)
Show SMILES Clc1cccc(c1)S(=O)(=O)Nc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C18H14ClNO2S/c19-16-7-4-8-18(13-16)23(21,22)20-17-11-9-15(10-12-17)14-5-2-1-3-6-14/h1-13,20H
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n/an/a 110n/an/an/an/an/an/a



Tokyo Medical and Dental University

Curated by ChEMBL


Assay Description
Displacement of [1,2,6,7-3H]-PG from recombinant human GST-tagged PR-LBD (657 to 933 residues) expressed in baculovirus infected insect cells measure...


ACS Med Chem Lett 7: 1028-1033 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00184
BindingDB Entry DOI: 10.7270/Q22Z17HW
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50203170
PNG
(CHEMBL3936121)
Show SMILES [O-][N+](=O)c1cccc(c1)S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C18H14N2O5S/c21-20(22)15-5-4-8-18(13-15)26(23,24)19-14-9-11-17(12-10-14)25-16-6-2-1-3-7-16/h1-13,19H
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n/an/a 140n/an/an/an/an/an/a



Tokyo Medical and Dental University

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor in human T47D cells incubated for 24 hrs in presence of P4 by alkaline phosphatase assay


ACS Med Chem Lett 7: 1028-1033 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00184
BindingDB Entry DOI: 10.7270/Q22Z17HW
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50203170
PNG
(CHEMBL3936121)
Show SMILES [O-][N+](=O)c1cccc(c1)S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C18H14N2O5S/c21-20(22)15-5-4-8-18(13-15)26(23,24)19-14-9-11-17(12-10-14)25-16-6-2-1-3-7-16/h1-13,19H
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n/an/a 140n/an/an/an/an/an/a



Tokyo Medical and Dental University

Curated by ChEMBL


Assay Description
Displacement of [1,2,6,7-3H]-PG from recombinant human GST-tagged PR-LBD (657 to 933 residues) expressed in baculovirus infected insect cells measure...


ACS Med Chem Lett 7: 1028-1033 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00184
BindingDB Entry DOI: 10.7270/Q22Z17HW
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50203158
PNG
(CHEMBL3912293)
Show SMILES Clc1cccc(c1)S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C18H14ClNO3S/c19-14-5-4-8-18(13-14)24(21,22)20-15-9-11-17(12-10-15)23-16-6-2-1-3-7-16/h1-13,20H
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n/an/a 170n/an/an/an/an/an/a



Tokyo Medical and Dental University

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor in human T47D cells incubated for 24 hrs in presence of P4 by alkaline phosphatase assay


ACS Med Chem Lett 7: 1028-1033 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00184
BindingDB Entry DOI: 10.7270/Q22Z17HW
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50203171
PNG
(CHEMBL3893240)
Show SMILES O=S(=O)(Nc1ccc(Oc2ccccc2)cc1)c1cccc2ccccc12
Show InChI InChI=1S/C22H17NO3S/c24-27(25,22-12-6-8-17-7-4-5-11-21(17)22)23-18-13-15-20(16-14-18)26-19-9-2-1-3-10-19/h1-16,23H
PDB

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n/an/a 190n/an/an/an/an/an/a



Tokyo Medical and Dental University

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor in human T47D cells incubated for 24 hrs in presence of P4 by alkaline phosphatase assay


ACS Med Chem Lett 7: 1028-1033 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00184
BindingDB Entry DOI: 10.7270/Q22Z17HW
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50203180
PNG
(CHEMBL3945051)
Show SMILES Fc1cccc(c1)S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C18H14FNO3S/c19-14-5-4-8-18(13-14)24(21,22)20-15-9-11-17(12-10-15)23-16-6-2-1-3-7-16/h1-13,20H
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n/an/a 220n/an/an/an/an/an/a



Tokyo Medical and Dental University

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor in human T47D cells incubated for 24 hrs in presence of P4 by alkaline phosphatase assay


ACS Med Chem Lett 7: 1028-1033 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00184
BindingDB Entry DOI: 10.7270/Q22Z17HW
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50203189
PNG
(CHEMBL3902219)
Show SMILES COc1cccc(c1)S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C19H17NO4S/c1-23-18-8-5-9-19(14-18)25(21,22)20-15-10-12-17(13-11-15)24-16-6-3-2-4-7-16/h2-14,20H,1H3
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n/an/a 250n/an/an/an/an/an/a



Tokyo Medical and Dental University

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor in human T47D cells incubated for 24 hrs in presence of P4 by alkaline phosphatase assay


ACS Med Chem Lett 7: 1028-1033 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00184
BindingDB Entry DOI: 10.7270/Q22Z17HW
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50203222
PNG
(CHEMBL3911233)
Show SMILES COc1cccc(Oc2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc2)c1
Show InChI InChI=1S/C19H16ClNO4S/c1-24-17-5-3-6-18(13-17)25-16-10-8-15(9-11-16)21-26(22,23)19-7-2-4-14(20)12-19/h2-13,21H,1H3
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n/an/a 270n/an/an/an/an/an/a



Tokyo Medical and Dental University

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor in human T47D cells incubated for 24 hrs in presence of P4 by alkaline phosphatase assay


ACS Med Chem Lett 7: 1028-1033 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00184
BindingDB Entry DOI: 10.7270/Q22Z17HW
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50203174
PNG
(CHEMBL3908173)
Show SMILES O=S(=O)(Nc1ccc(Oc2ccccc2)cc1)c1cccc(c1)C#N
Show InChI InChI=1S/C19H14N2O3S/c20-14-15-5-4-8-19(13-15)25(22,23)21-16-9-11-18(12-10-16)24-17-6-2-1-3-7-17/h1-13,21H
PDB

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n/an/a 300n/an/an/an/an/an/a



Tokyo Medical and Dental University

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor in human T47D cells incubated for 24 hrs in presence of P4 by alkaline phosphatase assay


ACS Med Chem Lett 7: 1028-1033 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00184
BindingDB Entry DOI: 10.7270/Q22Z17HW
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50203180
PNG
(CHEMBL3945051)
Show SMILES Fc1cccc(c1)S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C18H14FNO3S/c19-14-5-4-8-18(13-14)24(21,22)20-15-9-11-17(12-10-15)23-16-6-2-1-3-7-16/h1-13,20H
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n/an/a 310n/an/an/an/an/an/a



Tokyo Medical and Dental University

Curated by ChEMBL


Assay Description
Displacement of [1,2,6,7-3H]-PG from recombinant human GST-tagged PR-LBD (657 to 933 residues) expressed in baculovirus infected insect cells measure...


ACS Med Chem Lett 7: 1028-1033 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00184
BindingDB Entry DOI: 10.7270/Q22Z17HW
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50203154
PNG
(CHEMBL3953780)
Show SMILES Clc1cc(Cl)cc(c1)S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C18H13Cl2NO3S/c19-13-10-14(20)12-18(11-13)25(22,23)21-15-6-8-17(9-7-15)24-16-4-2-1-3-5-16/h1-12,21H
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n/an/a 320n/an/an/an/an/an/a



Tokyo Medical and Dental University

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor in human T47D cells incubated for 24 hrs in presence of P4 by alkaline phosphatase assay


ACS Med Chem Lett 7: 1028-1033 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00184
BindingDB Entry DOI: 10.7270/Q22Z17HW
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50203195
PNG
(CHEMBL3942784)
Show SMILES Clc1cccc(c1)S(=O)(=O)Nc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C18H14ClNO2S/c19-16-7-4-8-18(13-16)23(21,22)20-17-11-9-15(10-12-17)14-5-2-1-3-6-14/h1-13,20H
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n/an/a 330n/an/an/an/an/an/a



Tokyo Medical and Dental University

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor in human T47D cells incubated for 24 hrs in presence of P4 by alkaline phosphatase assay


ACS Med Chem Lett 7: 1028-1033 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00184
BindingDB Entry DOI: 10.7270/Q22Z17HW
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50203178
PNG
(CHEMBL3930183)
Show SMILES COc1cccc(Oc2ccc(NS(=O)(=O)c3cccc(OC)c3)cc2)c1
Show InChI InChI=1S/C20H19NO5S/c1-24-17-5-3-7-19(13-17)26-16-11-9-15(10-12-16)21-27(22,23)20-8-4-6-18(14-20)25-2/h3-14,21H,1-2H3
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n/an/a 370n/an/an/an/an/an/a



Tokyo Medical and Dental University

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor in human T47D cells incubated for 24 hrs in presence of P4 by alkaline phosphatase assay


ACS Med Chem Lett 7: 1028-1033 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00184
BindingDB Entry DOI: 10.7270/Q22Z17HW
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50203184
PNG
(CHEMBL3980435)
Show SMILES CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccccc1Cl
Show InChI InChI=1S/C19H16ClNO3S/c1-21(25(22,23)19-10-6-5-9-18(19)20)15-11-13-17(14-12-15)24-16-7-3-2-4-8-16/h2-14H,1H3
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Tokyo Medical and Dental University

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor in human T47D cells incubated for 24 hrs in presence of P4 by alkaline phosphatase assay


ACS Med Chem Lett 7: 1028-1033 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00184
BindingDB Entry DOI: 10.7270/Q22Z17HW
More data for this
Ligand-Target Pair
Androgen receptor


(Mus musculus)
BDBM50450199
PNG
(CHEMBL4173412)
Show SMILES COc1cccc(c1)C(=O)Nc1ccc(Oc2ccc(O)cc2)c(F)c1
Show InChI InChI=1S/C20H16FNO4/c1-25-17-4-2-3-13(11-17)20(24)22-14-5-10-19(18(21)12-14)26-16-8-6-15(23)7-9-16/h2-12,23H,1H3,(H,22,24)
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n/an/a 400n/an/an/an/an/an/a



Ochanomizu University

Curated by ChEMBL


Assay Description
Antagonist activity at AR in mouse SC3 cells assessed as inhibition of DHT-induced cell proliferation after 3 days by CCK8 assay


Bioorg Med Chem 26: 5118-5127 (2018)


Article DOI: 10.1016/j.bmc.2018.09.008
BindingDB Entry DOI: 10.7270/Q2P271PJ
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50203212
PNG
(CHEMBL3895538)
Show SMILES Clc1ccc(cc1Cl)S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C18H13Cl2NO3S/c19-17-11-10-16(12-18(17)20)25(22,23)21-13-6-8-15(9-7-13)24-14-4-2-1-3-5-14/h1-12,21H
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n/an/a 410n/an/an/an/an/an/a



Tokyo Medical and Dental University

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor in human T47D cells incubated for 24 hrs in presence of P4 by alkaline phosphatase assay


ACS Med Chem Lett 7: 1028-1033 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00184
BindingDB Entry DOI: 10.7270/Q22Z17HW
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50203220
PNG
(CHEMBL3952612)
Show SMILES Clc1cccc(c1)S(=O)(=O)Nc1ccc(Cc2ccccc2)cc1
Show InChI InChI=1S/C19H16ClNO2S/c20-17-7-4-8-19(14-17)24(22,23)21-18-11-9-16(10-12-18)13-15-5-2-1-3-6-15/h1-12,14,21H,13H2
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n/an/a 450n/an/an/an/an/an/a



Tokyo Medical and Dental University

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor in human T47D cells incubated for 24 hrs in presence of P4 by alkaline phosphatase assay


ACS Med Chem Lett 7: 1028-1033 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00184
BindingDB Entry DOI: 10.7270/Q22Z17HW
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50203182
PNG
(CHEMBL3971739)
Show SMILES COc1cccc(c1)S(=O)(=O)N(C)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C20H19NO4S/c1-21(26(22,23)20-10-6-9-19(15-20)24-2)16-11-13-18(14-12-16)25-17-7-4-3-5-8-17/h3-15H,1-2H3
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n/an/a 470n/an/an/an/an/an/a



Tokyo Medical and Dental University

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor in human T47D cells incubated for 24 hrs in presence of P4 by alkaline phosphatase assay


ACS Med Chem Lett 7: 1028-1033 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00184
BindingDB Entry DOI: 10.7270/Q22Z17HW
More data for this
Ligand-Target Pair
Androgen receptor


(Mus musculus)
BDBM50450187
PNG
(CHEMBL4166357)
Show SMILES COc1cccc(c1)C(=O)Nc1cc(Cl)c(Oc2ccc(O)cc2)c(Cl)c1
Show InChI InChI=1S/C20H15Cl2NO4/c1-26-16-4-2-3-12(9-16)20(25)23-13-10-17(21)19(18(22)11-13)27-15-7-5-14(24)6-8-15/h2-11,24H,1H3,(H,23,25)
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Ochanomizu University

Curated by ChEMBL


Assay Description
Antagonist activity at AR in mouse SC3 cells assessed as inhibition of DHT-induced cell proliferation after 3 days by CCK8 assay


Bioorg Med Chem 26: 5118-5127 (2018)


Article DOI: 10.1016/j.bmc.2018.09.008
BindingDB Entry DOI: 10.7270/Q2P271PJ
More data for this
Ligand-Target Pair
Androgen receptor


(Mus musculus)
BDBM50450200
PNG
(CHEMBL4161797)
Show SMILES COc1cccc(c1)C(=O)Nc1ccc(Oc2ccc(O)cc2)c(Cl)c1
Show InChI InChI=1S/C20H16ClNO4/c1-25-17-4-2-3-13(11-17)20(24)22-14-5-10-19(18(21)12-14)26-16-8-6-15(23)7-9-16/h2-12,23H,1H3,(H,22,24)
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Ochanomizu University

Curated by ChEMBL


Assay Description
Antagonist activity at AR in mouse SC3 cells assessed as inhibition of DHT-induced cell proliferation after 3 days by CCK8 assay


Bioorg Med Chem 26: 5118-5127 (2018)


Article DOI: 10.1016/j.bmc.2018.09.008
BindingDB Entry DOI: 10.7270/Q2P271PJ
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50203176
PNG
(CHEMBL3986969)
Show SMILES COc1cccc(Oc2ccc(NS(=O)(=O)c3ccccc3)cc2)c1
Show InChI InChI=1S/C19H17NO4S/c1-23-17-6-5-7-18(14-17)24-16-12-10-15(11-13-16)20-25(21,22)19-8-3-2-4-9-19/h2-14,20H,1H3
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n/an/a 490n/an/an/an/an/an/a



Tokyo Medical and Dental University

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor in human T47D cells incubated for 24 hrs in presence of P4 by alkaline phosphatase assay


ACS Med Chem Lett 7: 1028-1033 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00184
BindingDB Entry DOI: 10.7270/Q22Z17HW
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50203221
PNG
(CHEMBL3929091)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C19H17NO4S/c1-23-16-11-13-19(14-12-16)25(21,22)20-15-7-9-18(10-8-15)24-17-5-3-2-4-6-17/h2-14,20H,1H3
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Tokyo Medical and Dental University

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor in human T47D cells incubated for 24 hrs in presence of P4 by alkaline phosphatase assay


ACS Med Chem Lett 7: 1028-1033 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00184
BindingDB Entry DOI: 10.7270/Q22Z17HW
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50203187
PNG
(CHEMBL3915906)
Show SMILES CC(C)c1ccc(NS(=O)(=O)c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C15H16ClNO2S/c1-11(2)12-6-8-14(9-7-12)17-20(18,19)15-5-3-4-13(16)10-15/h3-11,17H,1-2H3
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n/an/a 510n/an/an/an/an/an/a



Tokyo Medical and Dental University

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor in human T47D cells incubated for 24 hrs in presence of P4 by alkaline phosphatase assay


ACS Med Chem Lett 7: 1028-1033 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00184
BindingDB Entry DOI: 10.7270/Q22Z17HW
More data for this
Ligand-Target Pair
Androgen receptor


(Mus musculus)
BDBM50450205
PNG
(CHEMBL4174659)
Show SMILES COc1cccc(c1)C(=O)Nc1cc(F)c(Oc2ccc(O)cc2)c(F)c1
Show InChI InChI=1S/C20H15F2NO4/c1-26-16-4-2-3-12(9-16)20(25)23-13-10-17(21)19(18(22)11-13)27-15-7-5-14(24)6-8-15/h2-11,24H,1H3,(H,23,25)
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Ochanomizu University

Curated by ChEMBL


Assay Description
Antagonist activity at AR in mouse SC3 cells assessed as inhibition of DHT-induced cell proliferation after 3 days by CCK8 assay


Bioorg Med Chem 26: 5118-5127 (2018)


Article DOI: 10.1016/j.bmc.2018.09.008
BindingDB Entry DOI: 10.7270/Q2P271PJ
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50203193
PNG
(CHEMBL3898358)
Show SMILES O=S(=O)(Nc1ccc(Oc2ccccc2)cc1)c1ccccc1
Show InChI InChI=1S/C18H15NO3S/c20-23(21,18-9-5-2-6-10-18)19-15-11-13-17(14-12-15)22-16-7-3-1-4-8-16/h1-14,19H
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n/an/a 520n/an/an/an/an/an/a



Tokyo Medical and Dental University

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor in human T47D cells incubated for 24 hrs in presence of P4 by alkaline phosphatase assay


ACS Med Chem Lett 7: 1028-1033 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00184
BindingDB Entry DOI: 10.7270/Q22Z17HW
More data for this
Ligand-Target Pair
Androgen receptor


(Mus musculus)
BDBM50450206
PNG
(CHEMBL4174266)
Show SMILES COc1cccc(c1)C(=O)Nc1ccc(Oc2ccc(O)cc2)c(F)c1F
Show InChI InChI=1S/C20H15F2NO4/c1-26-15-4-2-3-12(11-15)20(25)23-16-9-10-17(19(22)18(16)21)27-14-7-5-13(24)6-8-14/h2-11,24H,1H3,(H,23,25)
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n/an/a 530n/an/an/an/an/an/a



Ochanomizu University

Curated by ChEMBL


Assay Description
Antagonist activity at AR in mouse SC3 cells assessed as inhibition of DHT-induced cell proliferation after 3 days by CCK8 assay


Bioorg Med Chem 26: 5118-5127 (2018)


Article DOI: 10.1016/j.bmc.2018.09.008
BindingDB Entry DOI: 10.7270/Q2P271PJ
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50203177
PNG
(CHEMBL3966839)
Show SMILES Clc1cccc(c1Cl)S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C18H13Cl2NO3S/c19-16-7-4-8-17(18(16)20)25(22,23)21-13-9-11-15(12-10-13)24-14-5-2-1-3-6-14/h1-12,21H
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n/an/a 640n/an/an/an/an/an/a



Tokyo Medical and Dental University

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor in human T47D cells incubated for 24 hrs in presence of P4 by alkaline phosphatase assay


ACS Med Chem Lett 7: 1028-1033 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00184
BindingDB Entry DOI: 10.7270/Q22Z17HW
More data for this
Ligand-Target Pair
Androgen receptor


(Mus musculus)
BDBM50450203
PNG
(CHEMBL4162851)
Show SMILES COc1cccc(c1)C(=O)Nc1ccc(Oc2ccc(O)cc2)cc1F
Show InChI InChI=1S/C20H16FNO4/c1-25-16-4-2-3-13(11-16)20(24)22-19-10-9-17(12-18(19)21)26-15-7-5-14(23)6-8-15/h2-12,23H,1H3,(H,22,24)
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n/an/a 650n/an/an/an/an/an/a



Ochanomizu University

Curated by ChEMBL


Assay Description
Antagonist activity at AR in mouse SC3 cells assessed as inhibition of DHT-induced cell proliferation after 3 days by CCK8 assay


Bioorg Med Chem 26: 5118-5127 (2018)


Article DOI: 10.1016/j.bmc.2018.09.008
BindingDB Entry DOI: 10.7270/Q2P271PJ
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50203183
PNG
(CHEMBL3903419)
Show SMILES CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C19H16ClNO3S/c1-21(25(22,23)19-9-5-6-15(20)14-19)16-10-12-18(13-11-16)24-17-7-3-2-4-8-17/h2-14H,1H3
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Tokyo Medical and Dental University

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor in human T47D cells incubated for 24 hrs in presence of P4 by alkaline phosphatase assay


ACS Med Chem Lett 7: 1028-1033 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00184
BindingDB Entry DOI: 10.7270/Q22Z17HW
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50203190
PNG
(CHEMBL3939189)
Show SMILES Clc1ccc(cc1)S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C18H14ClNO3S/c19-14-6-12-18(13-7-14)24(21,22)20-15-8-10-17(11-9-15)23-16-4-2-1-3-5-16/h1-13,20H
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n/an/a 670n/an/an/an/an/an/a



Tokyo Medical and Dental University

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor in human T47D cells incubated for 24 hrs in presence of P4 by alkaline phosphatase assay


ACS Med Chem Lett 7: 1028-1033 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00184
BindingDB Entry DOI: 10.7270/Q22Z17HW
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50203191
PNG
(CHEMBL3982227)
Show SMILES Clc1ccccc1S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C18H14ClNO3S/c19-17-8-4-5-9-18(17)24(21,22)20-14-10-12-16(13-11-14)23-15-6-2-1-3-7-15/h1-13,20H
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n/an/a 740n/an/an/an/an/an/a



Tokyo Medical and Dental University

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor in human T47D cells incubated for 24 hrs in presence of P4 by alkaline phosphatase assay


ACS Med Chem Lett 7: 1028-1033 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00184
BindingDB Entry DOI: 10.7270/Q22Z17HW
More data for this
Ligand-Target Pair
Androgen receptor


(Mus musculus)
BDBM50442124
PNG
(CHEMBL2441094)
Show SMILES COc1cccc(c1)C(=O)Nc1ccc(Oc2ccc(O)cc2)c(C)c1
Show InChI InChI=1S/C21H19NO4/c1-14-12-16(22-21(24)15-4-3-5-19(13-15)25-2)6-11-20(14)26-18-9-7-17(23)8-10-18/h3-13,23H,1-2H3,(H,22,24)
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n/an/a 750n/an/an/an/an/an/a



Ochanomizu University

Curated by ChEMBL


Assay Description
Antagonist activity at AR in mouse SC3 cells assessed as inhibition of DHT-induced cell proliferation after 3 days by CCK8 assay


Bioorg Med Chem 26: 5118-5127 (2018)


Article DOI: 10.1016/j.bmc.2018.09.008
BindingDB Entry DOI: 10.7270/Q2P271PJ
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50203185
PNG
(CHEMBL3961285)
Show SMILES Clc1cccc(c1)S(=O)(=O)Nc1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C19H16ClNO3S/c20-16-7-4-8-19(13-16)25(22,23)21-17-9-11-18(12-10-17)24-14-15-5-2-1-3-6-15/h1-13,21H,14H2
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n/an/a 810n/an/an/an/an/an/a



Tokyo Medical and Dental University

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor in human T47D cells incubated for 24 hrs in presence of P4 by alkaline phosphatase assay


ACS Med Chem Lett 7: 1028-1033 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00184
BindingDB Entry DOI: 10.7270/Q22Z17HW
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50203186
PNG
(CHEMBL3924894)
Show SMILES COc1ccc(NS(=O)(=O)c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C13H12ClNO3S/c1-18-12-7-5-11(6-8-12)15-19(16,17)13-4-2-3-10(14)9-13/h2-9,15H,1H3
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Tokyo Medical and Dental University

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor in human T47D cells incubated for 24 hrs in presence of P4 by alkaline phosphatase assay


ACS Med Chem Lett 7: 1028-1033 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00184
BindingDB Entry DOI: 10.7270/Q22Z17HW
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50203219
PNG
(CHEMBL3912431)
Show SMILES CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H16ClNO3S/c1-21(25(22,23)19-13-7-15(20)8-14-19)16-9-11-18(12-10-16)24-17-5-3-2-4-6-17/h2-14H,1H3
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n/an/a 960n/an/an/an/an/an/a



Tokyo Medical and Dental University

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor in human T47D cells incubated for 24 hrs in presence of P4 by alkaline phosphatase assay


ACS Med Chem Lett 7: 1028-1033 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00184
BindingDB Entry DOI: 10.7270/Q22Z17HW
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50203218
PNG
(CHEMBL3930349)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(C)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C20H19NO4S/c1-21(26(22,23)20-14-12-17(24-2)13-15-20)16-8-10-19(11-9-16)25-18-6-4-3-5-7-18/h3-15H,1-2H3
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n/an/a 990n/an/an/an/an/an/a



Tokyo Medical and Dental University

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor in human T47D cells incubated for 24 hrs in presence of P4 by alkaline phosphatase assay


ACS Med Chem Lett 7: 1028-1033 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00184
BindingDB Entry DOI: 10.7270/Q22Z17HW
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50512559
PNG
(CHEMBL4540985)
Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OS(C)(=O)=O)[C@H](C)CCC(O)=O |r|
Show InChI InChI=1S/C25H42O5S/c1-16(5-10-23(26)27)20-8-9-21-19-7-6-17-15-18(30-31(4,28)29)11-13-24(17,2)22(19)12-14-25(20,21)3/h16-22H,5-15H2,1-4H3,(H,26,27)/t16-,17-,18-,19+,20-,21+,22+,24+,25-/m1/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



Tokyo Medical and Dental University

Curated by ChEMBL


Assay Description
Transactivation of VDR in human Macrophage-like cell assessed as cell differentiation measured after 4 days by NBT dye-based assay


Bioorg Med Chem 27: 3674-3681 (2019)


Article DOI: 10.1016/j.bmc.2019.07.003
BindingDB Entry DOI: 10.7270/Q2W380PQ
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50203157
PNG
(CHEMBL3943861)
Show SMILES Cc1ccc(NS(=O)(=O)c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C13H12ClNO2S/c1-10-5-7-12(8-6-10)15-18(16,17)13-4-2-3-11(14)9-13/h2-9,15H,1H3
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Tokyo Medical and Dental University

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor in human T47D cells incubated for 24 hrs in presence of P4 by alkaline phosphatase assay


ACS Med Chem Lett 7: 1028-1033 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00184
BindingDB Entry DOI: 10.7270/Q22Z17HW
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50203156
PNG
(CHEMBL3972388)
Show SMILES Clc1cccc(c1)S(=O)(=O)Nc1ccc(Br)cc1
Show InChI InChI=1S/C12H9BrClNO2S/c13-9-4-6-11(7-5-9)15-18(16,17)12-3-1-2-10(14)8-12/h1-8,15H
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n/an/a 1.30E+3n/an/an/an/an/an/a



Tokyo Medical and Dental University

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor in human T47D cells incubated for 24 hrs in presence of P4 by alkaline phosphatase assay


ACS Med Chem Lett 7: 1028-1033 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00184
BindingDB Entry DOI: 10.7270/Q22Z17HW
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50203173
PNG
(CHEMBL3956621)
Show SMILES Clc1cccc(c1)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C12H10ClNO2S/c13-10-5-4-8-12(9-10)17(15,16)14-11-6-2-1-3-7-11/h1-9,14H
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n/an/a 1.50E+3n/an/an/an/an/an/a



Tokyo Medical and Dental University

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor in human T47D cells incubated for 24 hrs in presence of P4 by alkaline phosphatase assay


ACS Med Chem Lett 7: 1028-1033 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00184
BindingDB Entry DOI: 10.7270/Q22Z17HW
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50203217
PNG
(CHEMBL3926140)
Show SMILES Clc1cc(Cl)c(cc1Cl)S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C18H12Cl3NO3S/c19-15-10-17(21)18(11-16(15)20)26(23,24)22-12-6-8-14(9-7-12)25-13-4-2-1-3-5-13/h1-11,22H
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n/an/a 1.60E+3n/an/an/an/an/an/a



Tokyo Medical and Dental University

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor in human T47D cells incubated for 24 hrs in presence of P4 by alkaline phosphatase assay


ACS Med Chem Lett 7: 1028-1033 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00184
BindingDB Entry DOI: 10.7270/Q22Z17HW
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50203192
PNG
(CHEMBL3942112)
Show SMILES O=S(=O)(Cc1ccccc1)Nc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C19H17NO3S/c21-24(22,15-16-7-3-1-4-8-16)20-17-11-13-19(14-12-17)23-18-9-5-2-6-10-18/h1-14,20H,15H2
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n/an/a 1.60E+3n/an/an/an/an/an/a



Tokyo Medical and Dental University

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor in human T47D cells incubated for 24 hrs in presence of P4 by alkaline phosphatase assay


ACS Med Chem Lett 7: 1028-1033 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00184
BindingDB Entry DOI: 10.7270/Q22Z17HW
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50203214
PNG
(CHEMBL3921236)
Show SMILES O=S(=O)(Nc1ccc(Oc2ccccc2)cc1)c1ccc2ccccc2c1
Show InChI InChI=1S/C22H17NO3S/c24-27(25,22-15-10-17-6-4-5-7-18(17)16-22)23-19-11-13-21(14-12-19)26-20-8-2-1-3-9-20/h1-16,23H
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n/an/a 1.70E+3n/an/an/an/an/an/a



Tokyo Medical and Dental University

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor in human T47D cells incubated for 24 hrs in presence of P4 by alkaline phosphatase assay


ACS Med Chem Lett 7: 1028-1033 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00184
BindingDB Entry DOI: 10.7270/Q22Z17HW
More data for this
Ligand-Target Pair
Androgen receptor


(Mus musculus)
BDBM50450186
PNG
(CHEMBL4167449)
Show SMILES COc1cccc(c1)C(=O)Nc1ccc(Oc2ccc(O)cc2)cc1Cl
Show InChI InChI=1S/C20H16ClNO4/c1-25-16-4-2-3-13(11-16)20(24)22-19-10-9-17(12-18(19)21)26-15-7-5-14(23)6-8-15/h2-12,23H,1H3,(H,22,24)
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Ochanomizu University

Curated by ChEMBL


Assay Description
Antagonist activity at AR in mouse SC3 cells assessed as inhibition of DHT-induced cell proliferation after 3 days by CCK8 assay


Bioorg Med Chem 26: 5118-5127 (2018)


Article DOI: 10.1016/j.bmc.2018.09.008
BindingDB Entry DOI: 10.7270/Q2P271PJ
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50203159
PNG
(CHEMBL3970606)
Show SMILES COc1cccc(c1)S(=O)(=O)Nc1ccc(Oc2ccc(O)cc2)c(C)c1
Show InChI InChI=1S/C20H19NO5S/c1-14-12-15(6-11-20(14)26-17-9-7-16(22)8-10-17)21-27(23,24)19-5-3-4-18(13-19)25-2/h3-13,21-22H,1-2H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



Tokyo Medical and Dental University

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor in human T47D cells incubated for 24 hrs in presence of P4 by alkaline phosphatase assay


ACS Med Chem Lett 7: 1028-1033 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00184
BindingDB Entry DOI: 10.7270/Q22Z17HW
More data for this
Ligand-Target Pair
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