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Compile Data Set for Download or QSAR

Found 707 hits Enz. Inhib. hit(s) with all data for entry = 3889   
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
Mucosa-associated lymphoid tissue lymphoma translocation protein 1


(Homo sapiens (Human))
BDBM50611509
PNG
(CHEMBL5284437)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)NCc1cc(-c2ccc(Cl)cc2)n(n1)-c1ccc(Cl)cc1 |r|
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n/an/a 280n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50355244
PNG
(CHEMBL1835825)
Show SMILES O=c1ccc2cc(ccc2o1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C16H9NO2/c17-10-11-1-3-12(4-2-11)13-5-7-15-14(9-13)6-8-16(18)19-15/h1-9H
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n/an/a 290n/an/an/an/an/an/a



Ochanomizu University

Curated by ChEMBL


Assay Description
Antagonist activity at human progesterone receptor in T47D cells after 24 hrs by alkaline phosphatase assay


J Med Chem 54: 7055-65 (2011)


Article DOI: 10.1021/jm2005404
BindingDB Entry DOI: 10.7270/Q27D2VJ6
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50198665
PNG
(CHEMBL3894599)
Show SMILES O=c1ccc2cc(ccc2o1)-c1ccc(C#N)n1Cc1ccc2ccccc2c1
Show InChI InChI=1S/C25H16N2O2/c26-15-22-9-10-23(20-7-11-24-21(14-20)8-12-25(28)29-24)27(22)16-17-5-6-18-3-1-2-4-19(18)13-17/h1-14H,16H2
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n/an/a 290n/an/an/an/an/an/a



Ochanomizu University

Curated by ChEMBL


Assay Description
Antagonist activity at PR in human T47D cells assessed as inhibition of progesterone-induced alkaline phosphatase expression after 24 hrs by alkaline...


Bioorg Med Chem 24: 5602-5610 (2016)


Article DOI: 10.1016/j.bmc.2016.09.020
BindingDB Entry DOI: 10.7270/Q2R49SRM
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50198656
PNG
(CHEMBL3946113)
Show SMILES O=c1ccc2cc(ccc2o1)-c1ccc(C#N)n1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C22H13N3O2/c23-12-15-1-3-16(4-2-15)14-25-19(13-24)7-8-20(25)17-5-9-21-18(11-17)6-10-22(26)27-21/h1-11H,14H2
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n/an/a 290n/an/an/an/an/an/a



Ochanomizu University

Curated by ChEMBL


Assay Description
Antagonist activity at PR in human T47D cells assessed as inhibition of progesterone-induced alkaline phosphatase expression after 24 hrs by alkaline...


Bioorg Med Chem 24: 5602-5610 (2016)


Article DOI: 10.1016/j.bmc.2016.09.020
BindingDB Entry DOI: 10.7270/Q2R49SRM
More data for this
Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1


(Homo sapiens (Human))
BDBM444393
PNG
(N-(amino(((5,6-bis(4-chlorophenyl)pyridin-3-yl)met...)
Show SMILES N\C(NCc1cnc(-c2ccc(Cl)cc2)c(c1)-c1ccc(Cl)cc1)=N/C(=O)CCc1ccccc1
Show InChI InChI=1S/C28H24Cl2N4O/c29-23-11-7-21(8-12-23)25-16-20(17-32-27(25)22-9-13-24(30)14-10-22)18-33-28(31)34-26(35)15-6-19-4-2-1-3-5-19/h1-5,7-14,16-17H,6,15,18H2,(H3,31,33,34,35)
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n/an/a 296n/an/an/an/an/an/a



Toray Industries, Inc.

US Patent


Assay Description
Full-length cDNA of human MALT1 gene (GenBank accession No: AB026118.1) amplified by PCR was inserted in flame to a SalI site located downstream of G...


US Patent US10662156 (2020)


BindingDB Entry DOI: 10.7270/Q2W380B7
More data for this
Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1


(Homo sapiens (Human))
BDBM444330
PNG
(N-(amino(((5-(4-chlorophenyl)-6-(4-(trifluorometho...)
Show SMILES N\C(NCc1cnc(-c2ccc(OC(F)(F)F)cc2)c(c1)-c1ccc(Cl)cc1)=N/S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C26H20ClF3N4O3S/c27-20-10-6-18(7-11-20)23-14-17(16-33-25(31)34-38(35,36)22-4-2-1-3-5-22)15-32-24(23)19-8-12-21(13-9-19)37-26(28,29)30/h1-15H,16H2,(H3,31,33,34)
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n/an/a 297n/an/an/an/an/an/a



Toray Industries, Inc.

US Patent


Assay Description
Full-length cDNA of human MALT1 gene (GenBank accession No: AB026118.1) amplified by PCR was inserted in flame to a SalI site located downstream of G...


US Patent US10662156 (2020)


BindingDB Entry DOI: 10.7270/Q2W380B7
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50198673
PNG
(CHEMBL3975572)
Show SMILES Cc1cc(=O)oc2cc(O)c(cc12)-c1ccc(C#N)n1C
Show InChI InChI=1S/C16H12N2O3/c1-9-5-16(20)21-15-7-14(19)12(6-11(9)15)13-4-3-10(8-17)18(13)2/h3-7,19H,1-2H3
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n/an/a 300n/an/an/an/an/an/a



Ochanomizu University

Curated by ChEMBL


Assay Description
Antagonist activity at PR in human T47D cells assessed as inhibition of progesterone-induced alkaline phosphatase expression after 24 hrs by alkaline...


Bioorg Med Chem 24: 5602-5610 (2016)


Article DOI: 10.1016/j.bmc.2016.09.020
BindingDB Entry DOI: 10.7270/Q2R49SRM
More data for this
Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1


(Homo sapiens (Human))
BDBM444392
PNG
(N-(amino(((5,6-bis(4-chlorophenyl)pyridin-3-yl)met...)
Show SMILES N\C(NCc1cnc(-c2ccc(Cl)cc2)c(c1)-c1ccc(Cl)cc1)=N/C(=O)C1CCCCC1
Show InChI InChI=1S/C26H26Cl2N4O/c27-21-10-6-18(7-11-21)23-14-17(15-30-24(23)19-8-12-22(28)13-9-19)16-31-26(29)32-25(33)20-4-2-1-3-5-20/h6-15,20H,1-5,16H2,(H3,29,31,32,33)
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n/an/a 300n/an/an/an/an/an/a



Toray Industries, Inc.

US Patent


Assay Description
Full-length cDNA of human MALT1 gene (GenBank accession No: AB026118.1) amplified by PCR was inserted in flame to a SalI site located downstream of G...


US Patent US10662156 (2020)


BindingDB Entry DOI: 10.7270/Q2W380B7
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
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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
Androgen receptor


(Homo sapiens (Human))
BDBM50367097
PNG
(CHEMBL4173799)
Show SMILES Cc1cc(cc2c1n(C)c(=O)c1cc(F)ccc21)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H12F7NO2/c1-8-5-9(16(28,17(20,21)22)18(23,24)25)6-12-11-4-3-10(19)7-13(11)15(27)26(2)14(8)12/h3-7,28H,1-2H3
PDB
MMDB

NCI pathway
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n/an/a 300n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Antagonist activity at human CMX-AR expressed in HEK293 cells assessed as reduction in dihydrotestosterone-induced transactivation activity after 24 ...


ACS Med Chem Lett 9: 641-645 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00058
BindingDB Entry DOI: 10.7270/Q2PN986S
More data for this
Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1


(Homo sapiens (Human))
BDBM444335
PNG
(N-(amino(((5-(3-chlorophenyl)-6-(4-chlorophenyl)py...)
Show SMILES N\C(NCc1cnc(-c2ccc(Cl)cc2)c(c1)-c1cccc(Cl)c1)=N/S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C25H20Cl2N4O2S/c26-20-11-9-18(10-12-20)24-23(19-5-4-6-21(27)14-19)13-17(15-29-24)16-30-25(28)31-34(32,33)22-7-2-1-3-8-22/h1-15H,16H2,(H3,28,30,31)
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n/an/a 308n/an/an/an/an/an/a



Toray Industries, Inc.

US Patent


Assay Description
Full-length cDNA of human MALT1 gene (GenBank accession No: AB026118.1) amplified by PCR was inserted in flame to a SalI site located downstream of G...


US Patent US10662156 (2020)


BindingDB Entry DOI: 10.7270/Q2W380B7
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50355233
PNG
(CHEMBL1835826)
Show SMILES CN(C)c1ccc(cc1)-c1ccc2oc(=O)ccc2c1
Show InChI InChI=1S/C17H15NO2/c1-18(2)15-7-3-12(4-8-15)13-5-9-16-14(11-13)6-10-17(19)20-16/h3-11H,1-2H3
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n/an/a 310n/an/an/an/an/an/a



Ochanomizu University

Curated by ChEMBL


Assay Description
Antagonist activity at human progesterone receptor in T47D cells after 24 hrs by alkaline phosphatase assay


J Med Chem 54: 7055-65 (2011)


Article DOI: 10.1021/jm2005404
BindingDB Entry DOI: 10.7270/Q27D2VJ6
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50367118
PNG
(CHEMBL4160128)
Show SMILES OC(c1ccc2[nH]c(=O)c3cc(F)ccc3c2c1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C16H8F7NO2/c17-8-2-3-9-10-5-7(14(26,15(18,19)20)16(21,22)23)1-4-12(10)24-13(25)11(9)6-8/h1-6,26H,(H,24,25)
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n/an/a 310n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Antagonist activity at PR in human T47D cells assessed as inhibition of progesterone-induced alkaline phosphatase activity measured after 24 hrs


ACS Med Chem Lett 9: 641-645 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00058
BindingDB Entry DOI: 10.7270/Q2PN986S
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))
BDBM50062742
PNG
(CHEMBL3397786)
Show SMILES CN(C(=O)c1ccccc1)c1ccc(cc1)C12CC3CC(CC(C3)(C1)c1ccc(cc1)C#N)C2 |TLB:13:16:19:23.21.22,25:22:19.20.33:17,THB:24:22:19:33.16.17,24:16:19:23.21.22,25:22:19:33.16.17,21:20:17:23.22.24,21:22:19.20.33:17|
Show InChI InChI=1S/C31H30N2O/c1-33(29(34)25-5-3-2-4-6-25)28-13-11-27(12-14-28)31-18-23-15-24(19-31)17-30(16-23,21-31)26-9-7-22(20-32)8-10-26/h2-14,23-24H,15-19,21H2,1H3
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n/an/a 311n/an/an/an/an/an/a



Tokyo Medical and Dental University

Curated by ChEMBL


Assay Description
Antagonist activity at PR in human T47D cells assessed as inhibition of progesterone-inducted alkaline phosphatase expression after 24 hrs by plate r...


Bioorg Med Chem 23: 803-9 (2015)


Article DOI: 10.1016/j.bmc.2014.12.047
BindingDB Entry DOI: 10.7270/Q2XG9SS2
More data for this
Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1


(Homo sapiens (Human))
BDBM444355
PNG
(N-(amino(((5,6-bis(4-chlorophenyl)pyridin-3-yl)met...)
Show SMILES N\C(NCc1cnc(-c2ccc(Cl)cc2)c(c1)-c1ccc(Cl)cc1)=N/C(=O)c1cccs1
Show InChI InChI=1S/C24H18Cl2N4OS/c25-18-7-3-16(4-8-18)20-12-15(13-28-22(20)17-5-9-19(26)10-6-17)14-29-24(27)30-23(31)21-2-1-11-32-21/h1-13H,14H2,(H3,27,29,30,31)
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n/an/a 314n/an/an/an/an/an/a



Toray Industries, Inc.

US Patent


Assay Description
Full-length cDNA of human MALT1 gene (GenBank accession No: AB026118.1) amplified by PCR was inserted in flame to a SalI site located downstream of G...


US Patent US10662156 (2020)


BindingDB Entry DOI: 10.7270/Q2W380B7
More data for this
Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1


(Homo sapiens (Human))
BDBM444346
PNG
(N-(amino(((5,6-bis(4-chlorophenyl)pyridin-3-yl)met...)
Show SMILES N\C(NCc1cnc(-c2ccc(Cl)cc2)c(c1)-c1ccc(Cl)cc1)=N/S(=O)(=O)c1ccccc1F
Show InChI InChI=1S/C25H19Cl2FN4O2S/c26-19-9-5-17(6-10-19)21-13-16(14-30-24(21)18-7-11-20(27)12-8-18)15-31-25(29)32-35(33,34)23-4-2-1-3-22(23)28/h1-14H,15H2,(H3,29,31,32)
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n/an/a 315n/an/an/an/an/an/a



Toray Industries, Inc.

US Patent


Assay Description
Full-length cDNA of human MALT1 gene (GenBank accession No: AB026118.1) amplified by PCR was inserted in flame to a SalI site located downstream of G...


US Patent US10662156 (2020)


BindingDB Entry DOI: 10.7270/Q2W380B7
More data for this
Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1


(Homo sapiens (Human))
BDBM444367
PNG
(N-(amino(((5,6-bis(4-chlorophenyl)pyridin-3-yl)met...)
Show SMILES N\C(NCc1cnc(-c2ccc(Cl)cc2)c(c1)-c1ccc(Cl)cc1)=N/S(=O)(=O)c1cccc(c1)C#N
Show InChI InChI=1S/C26H19Cl2N5O2S/c27-21-8-4-19(5-9-21)24-13-18(15-31-25(24)20-6-10-22(28)11-7-20)16-32-26(30)33-36(34,35)23-3-1-2-17(12-23)14-29/h1-13,15H,16H2,(H3,30,32,33)
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n/an/a 320n/an/an/an/an/an/a



Toray Industries, Inc.

US Patent


Assay Description
Full-length cDNA of human MALT1 gene (GenBank accession No: AB026118.1) amplified by PCR was inserted in flame to a SalI site located downstream of G...


US Patent US10662156 (2020)


BindingDB Entry DOI: 10.7270/Q2W380B7
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
Mucosa-associated lymphoid tissue lymphoma translocation protein 1


(Homo sapiens (Human))
BDBM444369
PNG
(N-(amino(((5,6-bis(4-chlorophenyl)pyridin-3-yl)met...)
Show SMILES COc1ccccc1S(=O)(=O)\N=C(/N)NCc1cnc(-c2ccc(Cl)cc2)c(c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C26H22Cl2N4O3S/c1-35-23-4-2-3-5-24(23)36(33,34)32-26(29)31-16-17-14-22(18-6-10-20(27)11-7-18)25(30-15-17)19-8-12-21(28)13-9-19/h2-15H,16H2,1H3,(H3,29,31,32)
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n/an/a 326n/an/an/an/an/an/a



Toray Industries, Inc.

US Patent


Assay Description
Full-length cDNA of human MALT1 gene (GenBank accession No: AB026118.1) amplified by PCR was inserted in flame to a SalI site located downstream of G...


US Patent US10662156 (2020)


BindingDB Entry DOI: 10.7270/Q2W380B7
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
Mucosa-associated lymphoid tissue lymphoma translocation protein 1


(Homo sapiens (Human))
BDBM444368
PNG
(N-(amino(((5,6-bis(4-chlorophenyl)pyridin-3-yl)met...)
Show SMILES N\C(NCc1cnc(-c2ccc(Cl)cc2)c(c1)-c1ccc(Cl)cc1)=N/S(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C25H19Cl3N4O2S/c26-19-8-4-17(5-9-19)23-12-16(14-30-24(23)18-6-10-20(27)11-7-18)15-31-25(29)32-35(33,34)22-3-1-2-21(28)13-22/h1-14H,15H2,(H3,29,31,32)
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Toray Industries, Inc.

US Patent


Assay Description
Full-length cDNA of human MALT1 gene (GenBank accession No: AB026118.1) amplified by PCR was inserted in flame to a SalI site located downstream of G...


US Patent US10662156 (2020)


BindingDB Entry DOI: 10.7270/Q2W380B7
More data for this
Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1


(Homo sapiens (Human))
BDBM444332
PNG
(N-(amino(((5-(4-chlorophenyl)-6-(3-fluoro-4-methyl...)
Show SMILES Cc1ccc(cc1F)-c1ncc(CN\C(N)=N\S(=O)(=O)c2ccccc2)cc1-c1ccc(Cl)cc1
Show InChI InChI=1S/C26H22ClFN4O2S/c1-17-7-8-20(14-24(17)28)25-23(19-9-11-21(27)12-10-19)13-18(15-30-25)16-31-26(29)32-35(33,34)22-5-3-2-4-6-22/h2-15H,16H2,1H3,(H3,29,31,32)
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Toray Industries, Inc.

US Patent


Assay Description
Full-length cDNA of human MALT1 gene (GenBank accession No: AB026118.1) amplified by PCR was inserted in flame to a SalI site located downstream of G...


US Patent US10662156 (2020)


BindingDB Entry DOI: 10.7270/Q2W380B7
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50198659
PNG
(CHEMBL3946665)
Show SMILES CC(=O)c1ccc(s1)-c1ccc2oc(=O)ccc2c1
Show InChI InChI=1S/C15H10O3S/c1-9(16)13-5-6-14(19-13)11-2-4-12-10(8-11)3-7-15(17)18-12/h2-8H,1H3
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n/an/a 340n/an/an/an/an/an/a



Ochanomizu University

Curated by ChEMBL


Assay Description
Antagonist activity at PR in human T47D cells assessed as inhibition of progesterone-induced alkaline phosphatase expression after 24 hrs by alkaline...


Bioorg Med Chem 24: 5602-5610 (2016)


Article DOI: 10.1016/j.bmc.2016.09.020
BindingDB Entry DOI: 10.7270/Q2R49SRM
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50367121
PNG
(CHEMBL4175249)
Show SMILES Cc1cc(cc2c1[nH]c(=O)c1cc(F)ccc21)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H10F7NO2/c1-7-4-8(15(27,16(19,20)21)17(22,23)24)5-11-10-3-2-9(18)6-12(10)14(26)25-13(7)11/h2-6,27H,1H3,(H,25,26)
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n/an/a 340n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Displacement of [1,2,6,7-3H]progesterone from recombinant human GST-tagged PGR LBD (678 to 933 residues) expressed in baculovirus-infected insect cel...


ACS Med Chem Lett 9: 641-645 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00058
BindingDB Entry DOI: 10.7270/Q2PN986S
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50396595
PNG
(CHEMBL2171906)
Show SMILES Cn1c2ccc(cc2c2ccccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H11F6NO2/c1-24-13-7-6-9(15(26,16(18,19)20)17(21,22)23)8-12(13)10-4-2-3-5-11(10)14(24)25/h2-8,26H,1H3
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The University of Tokyo

Curated by ChEMBL


Assay Description
Antagonist activity at PR in human T47D cells assessed as inhibition of progesterone-induced alkaline phosphatase activity measured after 24 hrs


ACS Med Chem Lett 9: 641-645 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00058
BindingDB Entry DOI: 10.7270/Q2PN986S
More data for this
Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1


(Homo sapiens (Human))
BDBM444390
PNG
(N-(amino(((5,6-bis(4-chlorophenyl)pyridin-3-yl)met...)
Show SMILES N\C(NCc1cnc(-c2ccc(Cl)cc2)c(c1)-c1ccc(Cl)cc1)=N/C(=O)C1CCCC1
Show InChI InChI=1S/C25H24Cl2N4O/c26-20-9-5-17(6-10-20)22-13-16(14-29-23(22)18-7-11-21(27)12-8-18)15-30-25(28)31-24(32)19-3-1-2-4-19/h5-14,19H,1-4,15H2,(H3,28,30,31,32)
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Toray Industries, Inc.

US Patent


Assay Description
Full-length cDNA of human MALT1 gene (GenBank accession No: AB026118.1) amplified by PCR was inserted in flame to a SalI site located downstream of G...


US Patent US10662156 (2020)


BindingDB Entry DOI: 10.7270/Q2W380B7
More data for this
Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1


(Homo sapiens (Human))
BDBM444331
PNG
(N-(amino(((5-(4-chlorophenyl)-6-(4-(trifluoromethy...)
Show SMILES N\C(NCc1cnc(-c2ccc(cc2)C(F)(F)F)c(c1)-c1ccc(Cl)cc1)=N/S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C26H20ClF3N4O2S/c27-21-12-8-18(9-13-21)23-14-17(15-32-24(23)19-6-10-20(11-7-19)26(28,29)30)16-33-25(31)34-37(35,36)22-4-2-1-3-5-22/h1-15H,16H2,(H3,31,33,34)
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Toray Industries, Inc.

US Patent


Assay Description
Full-length cDNA of human MALT1 gene (GenBank accession No: AB026118.1) amplified by PCR was inserted in flame to a SalI site located downstream of G...


US Patent US10662156 (2020)


BindingDB Entry DOI: 10.7270/Q2W380B7
More data for this
Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1


(Homo sapiens (Human))
BDBM444394
PNG
(N-(amino(((5,6-bis(4-chlorophenyl)pyridin-3-yl)met...)
Show SMILES N\C(NCc1cnc(-c2ccc(Cl)cc2)c(c1)-c1ccc(Cl)cc1)=N/C(=O)Cc1ccccc1
Show InChI InChI=1S/C27H22Cl2N4O/c28-22-10-6-20(7-11-22)24-14-19(16-31-26(24)21-8-12-23(29)13-9-21)17-32-27(30)33-25(34)15-18-4-2-1-3-5-18/h1-14,16H,15,17H2,(H3,30,32,33,34)
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Toray Industries, Inc.

US Patent


Assay Description
Full-length cDNA of human MALT1 gene (GenBank accession No: AB026118.1) amplified by PCR was inserted in flame to a SalI site located downstream of G...


US Patent US10662156 (2020)


BindingDB Entry DOI: 10.7270/Q2W380B7
More data for this
Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1


(Homo sapiens (Human))
BDBM444348
PNG
(N-(amino(((5,6-bis(4-chlorophenyl)pyridin-3-yl)met...)
Show SMILES N\C(NCc1cnc(-c2ccc(Cl)cc2)c(c1)-c1ccc(Cl)cc1)=N/S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C25H19Cl2FN4O2S/c26-19-5-1-17(2-6-19)23-13-16(14-30-24(23)18-3-7-20(27)8-4-18)15-31-25(29)32-35(33,34)22-11-9-21(28)10-12-22/h1-14H,15H2,(H3,29,31,32)
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Toray Industries, Inc.

US Patent


Assay Description
Full-length cDNA of human MALT1 gene (GenBank accession No: AB026118.1) amplified by PCR was inserted in flame to a SalI site located downstream of G...


US Patent US10662156 (2020)


BindingDB Entry DOI: 10.7270/Q2W380B7
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50355224
PNG
(CHEMBL1835817)
Show SMILES CN(C)c1cc2oc(=O)ccc2cc1-c1ccccc1
Show InChI InChI=1S/C17H15NO2/c1-18(2)15-11-16-13(8-9-17(19)20-16)10-14(15)12-6-4-3-5-7-12/h3-11H,1-2H3
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n/an/a 360n/an/an/an/an/an/a



Ochanomizu University

Curated by ChEMBL


Assay Description
Antagonist activity at human progesterone receptor in T47D cells after 24 hrs by alkaline phosphatase assay


J Med Chem 54: 7055-65 (2011)


Article DOI: 10.1021/jm2005404
BindingDB Entry DOI: 10.7270/Q27D2VJ6
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50367120
PNG
(CHEMBL4163940)
Show SMILES CCCc1cc(cc2c3ccccc3c(=O)[nH]c12)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H15F6NO2/c1-2-5-10-8-11(17(28,18(20,21)22)19(23,24)25)9-14-12-6-3-4-7-13(12)16(27)26-15(10)14/h3-4,6-9,28H,2,5H2,1H3,(H,26,27)
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n/an/a 360n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Antagonist activity at PR in human T47D cells assessed as inhibition of progesterone-induced alkaline phosphatase activity measured after 24 hrs


ACS Med Chem Lett 9: 641-645 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00058
BindingDB Entry DOI: 10.7270/Q2PN986S
More data for this
Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1


(Homo sapiens (Human))
BDBM50611508
PNG
(CHEMBL5282720)
Show SMILES N[C@@H](C(=O)NCc1cc(-c2ccc(Cl)cc2)n(n1)-c1ccc(Cl)cc1)c1ccccc1 |r|
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TBA



Citation and Details
More data for this
Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1


(Homo sapiens (Human))
BDBM444407
PNG
(N-(amino(((5,6-bis(4-chlorophenyl)-2-fluoropyridin...)
Show SMILES N\C(NCc1cc(-c2ccc(Cl)cc2)c(nc1F)-c1ccc(Cl)cc1)=N/S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C25H19Cl2FN4O2S/c26-19-10-6-16(7-11-19)22-14-18(24(28)31-23(22)17-8-12-20(27)13-9-17)15-30-25(29)32-35(33,34)21-4-2-1-3-5-21/h1-14H,15H2,(H3,29,30,32)
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Toray Industries, Inc.

US Patent


Assay Description
Full-length cDNA of human MALT1 gene (GenBank accession No: AB026118.1) amplified by PCR was inserted in flame to a SalI site located downstream of G...


US Patent US10662156 (2020)


BindingDB Entry DOI: 10.7270/Q2W380B7
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
Aldo-keto reductase family 1 member C3


(Homo sapiens (Human))
BDBM50543420
PNG
(CHEMBL4638008)
Show SMILES Oc1cccc2oc(=N)c(cc12)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C16H11FN2O3/c17-9-4-6-10(7-5-9)19-16(21)12-8-11-13(20)2-1-3-14(11)22-15(12)18/h1-8,18,20H,(H,19,21)
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n/an/a 370n/an/an/an/an/an/a



Gifu Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C3 (unknown origin) assessed as reduction in S-tetralol-induced dehydrogenase activity by measuring NADPH level


J Med Chem 63: 10396-10411 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00939
BindingDB Entry DOI: 10.7270/Q2V40ZSN
More data for this
Ligand-Target Pair
Carbonyl reductase [NADPH] 1


(Homo sapiens (Human))
BDBM50543402
PNG
(CHEMBL4634960)
Show SMILES Oc1cccc2cc(C(=O)Nc3cccc(F)c3)c(=N)oc12
Show InChI InChI=1S/C16H11FN2O3/c17-10-4-2-5-11(8-10)19-16(21)12-7-9-3-1-6-13(20)14(9)22-15(12)18/h1-8,18,20H,(H,19,21)
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n/an/a 370n/an/an/an/an/an/a



Gifu Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of CBR1 (unknown origin)


J Med Chem 63: 10396-10411 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00939
BindingDB Entry DOI: 10.7270/Q2V40ZSN
More data for this
Ligand-Target Pair
Androgen receptor


(Mus musculus)
BDBM35909
PNG
(2-Hydroxy-2-methyl-N-(4-nitro-3-trifluoromethyl-ph...)
Show SMILES CC(C)(O)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O
Show InChI InChI=1S/C11H11F3N2O4/c1-10(2,18)9(17)15-6-3-4-8(16(19)20)7(5-6)11(12,13)14/h3-5,18H,1-2H3,(H,15,17)
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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 androgen receptor in mouse SC3 cells assessed as inhibition of DHT-induced cell growth after 3 days by CCK-8/WST-8 assay


ACS Med Chem Lett 4: 937-41 (2013)


Article DOI: 10.1021/ml4001744
BindingDB Entry DOI: 10.7270/Q2DF6SN4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mucosa-associated lymphoid tissue lymphoma translocation protein 1


(Homo sapiens (Human))
BDBM444403
PNG
(N-(amino(((5,6-bis(4-chlorophenyl)pyridin-3-yl)met...)
Show SMILES N\C(NCc1cnc(-c2ccc(Cl)cc2)c(c1)-c1ccc(Cl)cc1)=N/C(=O)C1CCC(F)(F)CC1
Show InChI InChI=1S/C26H24Cl2F2N4O/c27-20-5-1-17(2-6-20)22-13-16(14-32-23(22)18-3-7-21(28)8-4-18)15-33-25(31)34-24(35)19-9-11-26(29,30)12-10-19/h1-8,13-14,19H,9-12,15H2,(H3,31,33,34,35)
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n/an/a 373n/an/an/an/an/an/a



Toray Industries, Inc.

US Patent


Assay Description
Full-length cDNA of human MALT1 gene (GenBank accession No: AB026118.1) amplified by PCR was inserted in flame to a SalI site located downstream of G...


US Patent US10662156 (2020)


BindingDB Entry DOI: 10.7270/Q2W380B7
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50355223
PNG
(CHEMBL1835816)
Show SMILES CCN(CC)c1cc2oc(=O)ccc2cc1-c1cccc(c1)C#N
Show InChI InChI=1S/C20H18N2O2/c1-3-22(4-2)18-12-19-16(8-9-20(23)24-19)11-17(18)15-7-5-6-14(10-15)13-21/h5-12H,3-4H2,1-2H3
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n/an/a 380n/an/an/an/an/an/a



Ochanomizu University

Curated by ChEMBL


Assay Description
Antagonist activity at human progesterone receptor in T47D cells after 24 hrs by alkaline phosphatase assay


J Med Chem 54: 7055-65 (2011)


Article DOI: 10.1021/jm2005404
BindingDB Entry DOI: 10.7270/Q27D2VJ6
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50355220
PNG
(CHEMBL1835812)
Show SMILES CCN(CC)c1cc2oc(=O)ccc2cc1-c1ccc(cc1)N(C)C
Show InChI InChI=1S/C21H24N2O2/c1-5-23(6-2)19-14-20-16(9-12-21(24)25-20)13-18(19)15-7-10-17(11-8-15)22(3)4/h7-14H,5-6H2,1-4H3
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n/an/a 390n/an/an/an/an/an/a



Ochanomizu University

Curated by ChEMBL


Assay Description
Antagonist activity at human progesterone receptor in T47D cells after 24 hrs by alkaline phosphatase assay


J Med Chem 54: 7055-65 (2011)


Article DOI: 10.1021/jm2005404
BindingDB Entry DOI: 10.7270/Q27D2VJ6
More data for this
Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1


(Homo sapiens (Human))
BDBM444372
PNG
(N-(amino(((5,6-bis(4-chlorophenyl)pyridin-3-yl)met...)
Show SMILES N\C(NCc1cnc(-c2ccc(Cl)cc2)c(c1)-c1ccc(Cl)cc1)=N/S(=O)(=O)c1ccc(nc1)C#N
Show InChI InChI=1S/C25H18Cl2N6O2S/c26-19-5-1-17(2-6-19)23-11-16(13-31-24(23)18-3-7-20(27)8-4-18)14-32-25(29)33-36(34,35)22-10-9-21(12-28)30-15-22/h1-11,13,15H,14H2,(H3,29,32,33)
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n/an/a 390n/an/an/an/an/an/a



Toray Industries, Inc.

US Patent


Assay Description
Full-length cDNA of human MALT1 gene (GenBank accession No: AB026118.1) amplified by PCR was inserted in flame to a SalI site located downstream of G...


US Patent US10662156 (2020)


BindingDB Entry DOI: 10.7270/Q2W380B7
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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n/an/a 390n/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)
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))
BDBM50355221
PNG
(CHEMBL1835813)
Show SMILES CCN(CC)c1cc2oc(=O)ccc2cc1-c1ccc(cc1)C(C)=O
Show InChI InChI=1S/C21H21NO3/c1-4-22(5-2)19-13-20-17(10-11-21(24)25-20)12-18(19)16-8-6-15(7-9-16)14(3)23/h6-13H,4-5H2,1-3H3
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n/an/a 400n/an/an/an/an/an/a



Ochanomizu University

Curated by ChEMBL


Assay Description
Antagonist activity at human progesterone receptor in T47D cells after 24 hrs by alkaline phosphatase assay


J Med Chem 54: 7055-65 (2011)


Article DOI: 10.1021/jm2005404
BindingDB Entry DOI: 10.7270/Q27D2VJ6
More data for this
Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1


(Homo sapiens (Human))
BDBM50611522
PNG
(CHEMBL5285346)
Show SMILES CS(=O)(=O)\N=C(/N)NCc1cc(-c2ccc(Cl)cc2)n(n1)-c1ccc(Cl)cc1
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n/an/a 401n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50062750
PNG
(CHEMBL3397785)
Show SMILES O=C(Nc1ccc(cc1)C12CC3CC(C1)CC(C3)(C2)c1ccc(cc1)C#N)c1ccccc1 |TLB:6:9:12:15.17.16,17:16:12.11.10:14,THB:18:16:12:10.9.14,18:9:12:15.17.16,19:16:12:10.9.14,19:16:12.11.10:14,17:11:14:15.16.18|
Show InChI InChI=1S/C30H28N2O/c31-19-21-6-8-25(9-7-21)29-15-22-14-23(16-29)18-30(17-22,20-29)26-10-12-27(13-11-26)32-28(33)24-4-2-1-3-5-24/h1-13,22-23H,14-18,20H2,(H,32,33)
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n/an/a 404n/an/an/an/an/an/a



Tokyo Medical and Dental University

Curated by ChEMBL


Assay Description
Antagonist activity at PR in human T47D cells assessed as inhibition of progesterone-inducted alkaline phosphatase expression after 24 hrs by plate r...


Bioorg Med Chem 23: 803-9 (2015)


Article DOI: 10.1016/j.bmc.2014.12.047
BindingDB Entry DOI: 10.7270/Q2XG9SS2
More data for this
Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1


(Homo sapiens (Human))
BDBM444381
PNG
(N-(amino(((5,6-bis(4-chlorophenyl)pyridin-3-yl)met...)
Show SMILES N\C(NCc1cnc(-c2ccc(Cl)cc2)c(c1)-c1ccc(Cl)cc1)=N/C(=O)c1nccs1
Show InChI InChI=1S/C23H17Cl2N5OS/c24-17-5-1-15(2-6-17)19-11-14(12-28-20(19)16-3-7-18(25)8-4-16)13-29-23(26)30-21(31)22-27-9-10-32-22/h1-12H,13H2,(H3,26,29,30,31)
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US Patent
n/an/a 408n/an/an/an/an/an/a



Toray Industries, Inc.

US Patent


Assay Description
Full-length cDNA of human MALT1 gene (GenBank accession No: AB026118.1) amplified by PCR was inserted in flame to a SalI site located downstream of G...


US Patent US10662156 (2020)


BindingDB Entry DOI: 10.7270/Q2W380B7
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))
BDBM50012248
PNG
(CHEMBL1765167)
Show SMILES CCCCn1c2cc(OC)c(cc2c2ccccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C21H19F6NO3/c1-3-4-9-28-16-11-17(31-2)15(19(30,20(22,23)24)21(25,26)27)10-14(16)12-7-5-6-8-13(12)18(28)29/h5-8,10-11,30H,3-4,9H2,1-2H3
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The University of Tokyo

Curated by ChEMBL


Assay Description
Antagonist activity at PR in human T47D cells assessed as inhibition of progesterone-induced alkaline phosphatase activity measured after 24 hrs


ACS Med Chem Lett 9: 641-645 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00058
BindingDB Entry DOI: 10.7270/Q2PN986S
More data for this
Ligand-Target Pair
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