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PubMed code 25593098

Compile data set for download or QSAR
Found 17 hits of Enzyme Inhibition Constant Data   
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))
BDBM50062743
PNG
(CHEMBL3397787)
Show SMILES COC(=O)Nc1ccc(cc1)C12CC3CC(C1)CC(C3)(C2)c1ccc(cc1)C#N |TLB:8:11:14:17.19.18,19:18:14.13.12:16,THB:20:18:14:12.11.16,20:11:14:17.19.18,21:18:14:12.11.16,21:18:14.13.12:16,19:13:16:17.18.20|
Show InChI InChI=1S/C25H26N2O2/c1-29-23(28)27-22-8-6-21(7-9-22)25-13-18-10-19(14-25)12-24(11-18,16-25)20-4-2-17(15-26)3-5-20/h2-9,18-19H,10-14,16H2,1H3,(H,27,28)
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n/an/a 25n/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
Progesterone receptor


(Homo sapiens (Human))
BDBM50062741
PNG
(CHEMBL3397781)
Show SMILES CN(C(C)=O)c1ccc(cc1)C12CC3CC(CC(C3)(C1)c1ccc(cc1)C#N)C2 |TLB:8:11:14:18.16.17,20:17:14.15.28:12,THB:19:17:14:28.11.12,19:11:14:18.16.17,20:17:14:28.11.12,16:15:12:18.17.19,16:17:14.15.28:12|
Show InChI InChI=1S/C26H28N2O/c1-18(29)28(2)24-9-7-23(8-10-24)26-14-20-11-21(15-26)13-25(12-20,17-26)22-5-3-19(16-27)4-6-22/h3-10,20-21H,11-15,17H2,1-2H3
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n/an/a 26n/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
Progesterone receptor


(Homo sapiens (Human))
BDBM50062751
PNG
(CHEMBL3397788)
Show SMILES COC(=O)N(C)c1ccc(cc1)C12CC3CC(CC(C3)(C1)c1ccc(cc1)C#N)C2 |TLB:9:12:15:19.17.18,21:18:15.16.29:13,THB:20:18:15:29.12.13,20:12:15:19.17.18,21:18:15:29.12.13,17:16:13:19.18.20,17:18:15.16.29:13|
Show InChI InChI=1S/C26H28N2O2/c1-28(24(29)30-2)23-9-7-22(8-10-23)26-14-19-11-20(15-26)13-25(12-19,17-26)21-5-3-18(16-27)4-6-21/h3-10,19-20H,11-15,17H2,1-2H3
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n/an/a 36n/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
Progesterone receptor


(Homo sapiens (Human))
BDBM50062747
PNG
(CHEMBL3397782)
Show SMILES CCN(C(C)=O)c1ccc(cc1)C12CC3CC(CC(C3)(C1)c1ccc(cc1)C#N)C2 |TLB:9:12:15:19.17.18,21:18:15.16.29:13,THB:20:18:15:29.12.13,20:12:15:19.17.18,21:18:15:29.12.13,17:16:13:19.18.20,17:18:15.16.29:13|
Show InChI InChI=1S/C27H30N2O/c1-3-29(19(2)30)25-10-8-24(9-11-25)27-15-21-12-22(16-27)14-26(13-21,18-27)23-6-4-20(17-28)5-7-23/h4-11,21-22H,3,12-16,18H2,1-2H3
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n/an/a 40n/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
Progesterone receptor


(Homo sapiens (Human))
BDBM50062745
PNG
(CHEMBL3397778)
Show SMILES [O-][N+](=O)c1ccc(cc1)C12CC3CC(CC(C3)(C1)c1ccc(cc1)C#N)C2 |TLB:6:9:12:16.14.15,18:15:12.13.26:10,THB:17:15:12:26.9.10,17:9:12:16.14.15,18:15:12:26.9.10,14:13:10:16.15.17,14:15:12.13.26:10|
Show InChI InChI=1S/C23H22N2O2/c24-14-16-1-3-19(4-2-16)22-10-17-9-18(11-22)13-23(12-17,15-22)20-5-7-21(8-6-20)25(26)27/h1-8,17-18H,9-13,15H2
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n/an/a 53n/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
Progesterone receptor


(Homo sapiens (Human))
BDBM50062741
PNG
(CHEMBL3397781)
Show SMILES CN(C(C)=O)c1ccc(cc1)C12CC3CC(CC(C3)(C1)c1ccc(cc1)C#N)C2 |TLB:8:11:14:18.16.17,20:17:14.15.28:12,THB:19:17:14:28.11.12,19:11:14:18.16.17,20:17:14:28.11.12,16:15:12:18.17.19,16:17:14.15.28:12|
Show InChI InChI=1S/C26H28N2O/c1-18(29)28(2)24-9-7-23(8-10-24)26-14-20-11-21(15-26)13-25(12-20,17-26)22-5-3-19(16-27)4-6-22/h3-10,20-21H,11-15,17H2,1-2H3
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n/an/a 53n/an/an/an/an/an/a



Tokyo Medical and Dental University

Curated by ChEMBL


Assay Description
Displacement of [1,2,6,7-3H]progesterone from human recombinant PR LBD after 24 hrs by liquid scintillation counting analysis


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
Progesterone receptor


(Homo sapiens (Human))
BDBM50062746
PNG
(CHEMBL3397780)
Show SMILES CC(=O)Nc1ccc(cc1)C12CC3CC(C1)CC(C3)(C2)c1ccc(cc1)C#N |TLB:7:10:13:16.18.17,18:17:13.12.11:15,THB:19:17:13:11.10.15,19:10:13:16.18.17,20:17:13:11.10.15,20:17:13.12.11:15,18:12:15:16.17.19|
Show InChI InChI=1S/C25H26N2O/c1-17(28)27-23-8-6-22(7-9-23)25-13-19-10-20(14-25)12-24(11-19,16-25)21-4-2-18(15-26)3-5-21/h2-9,19-20H,10-14,16H2,1H3,(H,27,28)
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n/an/a 58n/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
Progesterone receptor


(Homo sapiens (Human))
BDBM50062739
PNG
(CHEMBL3397790)
Show SMILES CN(c1ccc(cc1)C12CC3CC(CC(C3)(C1)c1ccc(cc1)C#N)C2)S(C)(=O)=O |TLB:5:8:11:15.13.14,17:14:11.12.25:9,THB:16:14:11:25.8.9,16:8:11:15.13.14,17:14:11:25.8.9,13:12:9:15.14.16,13:14:11.12.25:9|
Show InChI InChI=1S/C25H28N2O2S/c1-27(30(2,28)29)23-9-7-22(8-10-23)25-14-19-11-20(15-25)13-24(12-19,17-25)21-5-3-18(16-26)4-6-21/h3-10,19-20H,11-15,17H2,1-2H3
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n/an/a 74n/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
Progesterone receptor


(Homo sapiens (Human))
BDBM50062738
PNG
(CHEMBL3397789)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)C12CC3CC(C1)CC(C3)(C2)c1ccc(cc1)C#N |TLB:8:11:14:17.19.18,19:18:14.13.12:16,THB:20:18:14:12.11.16,20:11:14:17.19.18,21:18:14:12.11.16,21:18:14.13.12:16,19:13:16:17.18.20|
Show InChI InChI=1S/C24H26N2O2S/c1-29(27,28)26-22-8-6-21(7-9-22)24-13-18-10-19(14-24)12-23(11-18,16-24)20-4-2-17(15-25)3-5-20/h2-9,18-19,26H,10-14,16H2,1H3
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n/an/a 119n/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
Progesterone receptor


(Homo sapiens (Human))
BDBM50062749
PNG
(CHEMBL3397784)
Show SMILES CCCCCC(=O)N(C)c1ccc(cc1)C12CC3CC(CC(C3)(C1)c1ccc(cc1)C#N)C2 |TLB:12:15:18:22.20.21,24:21:18.19.32:16,THB:23:21:18:32.15.16,23:15:18:22.20.21,24:21:18:32.15.16,20:19:16:22.21.23,20:21:18.19.32:16|
Show InChI InChI=1S/C30H36N2O/c1-3-4-5-6-28(33)32(2)27-13-11-26(12-14-27)30-18-23-15-24(19-30)17-29(16-23,21-30)25-9-7-22(20-31)8-10-25/h7-14,23-24H,3-6,15-19,21H2,1-2H3
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n/an/a 125n/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
Progesterone receptor


(Homo sapiens (Human))
BDBM50062748
PNG
(CHEMBL3397783)
Show SMILES CCCCCC(=O)Nc1ccc(cc1)C12CC3CC(C1)CC(C3)(C2)c1ccc(cc1)C#N |TLB:11:14:17:20.22.21,22:21:17.16.15:19,THB:23:21:17:15.14.19,23:14:17:20.22.21,24:21:17:15.14.19,24:21:17.16.15:19,22:16:19:20.21.23|
Show InChI InChI=1S/C29H34N2O/c1-2-3-4-5-27(32)31-26-12-10-25(11-13-26)29-17-22-14-23(18-29)16-28(15-22,20-29)24-8-6-21(19-30)7-9-24/h6-13,22-23H,2-5,14-18,20H2,1H3,(H,31,32)
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n/an/a 174n/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
Progesterone receptor


(Homo sapiens (Human))
BDBM50062744
PNG
(CHEMBL3397779)
Show SMILES Nc1ccc(cc1)C12CC3CC(C1)CC(C3)(C2)c1ccc(cc1)C#N |TLB:4:7:10:13.15.14,15:14:10.9.8:12,THB:16:14:10:8.7.12,16:7:10:13.15.14,17:14:10:8.7.12,17:14:10.9.8:12,15:9:12:13.14.16|
Show InChI InChI=1S/C23H24N2/c24-14-16-1-3-19(4-2-16)22-10-17-9-18(11-22)13-23(12-17,15-22)20-5-7-21(25)8-6-20/h1-8,17-18H,9-13,15,25H2
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n/an/a 178n/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
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 228n/an/an/an/an/an/a



Tokyo Medical and Dental University

Curated by ChEMBL


Assay Description
Displacement of [1,2,6,7-3H]progesterone from human recombinant PR LBD after 24 hrs by liquid scintillation counting analysis


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
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
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
Progesterone receptor


(Homo sapiens (Human))
BDBM50062740
PNG
(CHEMBL3397791)
Show SMILES N#Cc1ccc(cc1)C12CC3CC(C1)CC(C3)(C2)c1ccc(cc1)N(Cc1ccccc1)Cc1ccccc1 |TLB:18:15:11:9.13.8,13:8:11.12.14:16,THB:17:8:11:14.15.16,17:15:11:9.13.8,5:8:11:14.15.16,5:8:11.12.14:16,13:12:16:9.8.17|
Show InChI InChI=1S/C37H36N2/c38-24-28-11-13-33(14-12-28)36-20-31-19-32(21-36)23-37(22-31,27-36)34-15-17-35(18-16-34)39(25-29-7-3-1-4-8-29)26-30-9-5-2-6-10-30/h1-18,31-32H,19-23,25-27H2
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n/an/a>1.00E+3n/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
Progesterone receptor


(Homo sapiens (Human))
BDBM50062743
PNG
(CHEMBL3397787)
Show SMILES COC(=O)Nc1ccc(cc1)C12CC3CC(C1)CC(C3)(C2)c1ccc(cc1)C#N |TLB:8:11:14:17.19.18,19:18:14.13.12:16,THB:20:18:14:12.11.16,20:11:14:17.19.18,21:18:14:12.11.16,21:18:14.13.12:16,19:13:16:17.18.20|
Show InChI InChI=1S/C25H26N2O2/c1-29-23(28)27-22-8-6-21(7-9-22)25-13-18-10-19(14-25)12-24(11-18,16-25)20-4-2-17(15-26)3-5-20/h2-9,18-19H,10-14,16H2,1H3,(H,27,28)
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KEGG

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B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Tokyo Medical and Dental University

Curated by ChEMBL


Assay Description
Displacement of [1,2,6,7-3H]progesterone from human recombinant PR LBD after 24 hrs by liquid scintillation counting analysis


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
* indicates data uncertainty>20%