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PubMed code 17681796

Compile data set for download or QSAR
Found 21 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))		BDBM50219260
PNG
(5-(3-cyclopentyl-2-thioxo-2,3-dihydro-1H-benzimida...)
Show SMILES Cn1c(ccc1-c1ccc2[nH]c(=S)n(C3CCCC3)c2c1)C#N
Show InChI InChI=1S/C18H18N4S/c1-21-14(11-19)7-9-16(21)12-6-8-15-17(10-12)22(18(23)20-15)13-4-2-3-5-13/h6-10,13H,2-5H2,1H3,(H,20,23)
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n/an/a 0.400n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Binding affinity to cytosolic PR in T47D cells by competition binding assay

Bioorg Med Chem 15: 6556-64 (2007)


Article DOI: 10.1016/j.bmc.2007.07.011
BindingDB Entry DOI: 10.7270/Q2CV4HGN
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50219263
PNG
(3-[3-(1-ethylpropyl)-2-thioxo-2,3-dihydro-1H-benzi...)
Show SMILES CCC(CC)n1c2cc(ccc2[nH]c1=S)-c1cc(F)cc(c1)C#N
Show InChI InChI=1S/C19H18FN3S/c1-3-16(4-2)23-18-10-13(5-6-17(18)22-19(23)24)14-7-12(11-21)8-15(20)9-14/h5-10,16H,3-4H2,1-2H3,(H,22,24)
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n/an/a 3.60n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor expressed in T47D cells assesed as inhibition of progesterone-induced alkaline phosphatase activity

Bioorg Med Chem 15: 6556-64 (2007)


Article DOI: 10.1016/j.bmc.2007.07.011
BindingDB Entry DOI: 10.7270/Q2CV4HGN
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50169354
PNG
(5-(3-Cyclopentyl-2-oxo-2,3-dihydro-1H-benzoimidazo...)
Show SMILES Cn1c(ccc1-c1ccc2[nH]c(=O)n(C3CCCC3)c2c1)C#N
Show InChI InChI=1S/C18H18N4O/c1-21-14(11-19)7-9-16(21)12-6-8-15-17(10-12)22(18(23)20-15)13-4-2-3-5-13/h6-10,13H,2-5H2,1H3,(H,20,23)
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n/an/a 5.60n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor expressed in T47D cells assesed as inhibition of progesterone-induced alkaline phosphatase activity

Bioorg Med Chem 15: 6556-64 (2007)


Article DOI: 10.1016/j.bmc.2007.07.011
BindingDB Entry DOI: 10.7270/Q2CV4HGN
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50219259
PNG
(5-(3-Cyclobutyl-2-oxo-2,3-dihydro-1H-benzoimidazol...)
Show SMILES Cn1c(ccc1-c1ccc2[nH]c(=O)n(C3CCC3)c2c1)C#N
Show InChI InChI=1S/C17H16N4O/c1-20-13(10-18)6-8-15(20)11-5-7-14-16(9-11)21(17(22)19-14)12-3-2-4-12/h5-9,12H,2-4H2,1H3,(H,19,22)
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n/an/a 11n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor expressed in T47D cells assesed as inhibition of progesterone-induced alkaline phosphatase activity

Bioorg Med Chem 15: 6556-64 (2007)


Article DOI: 10.1016/j.bmc.2007.07.011
BindingDB Entry DOI: 10.7270/Q2CV4HGN
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50219265
PNG
(5-[3-(1-ethylpropyl)-2-oxo-2,3-dihydro-1H-benzimid...)
Show SMILES CCC(CC)n1c2cc(ccc2[nH]c1=O)-c1ccc(C#N)n1C
Show InChI InChI=1S/C18H20N4O/c1-4-13(5-2)22-17-10-12(6-8-15(17)20-18(22)23)16-9-7-14(11-19)21(16)3/h6-10,13H,4-5H2,1-3H3,(H,20,23)
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n/an/a 12n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor expressed in T47D cells assesed as inhibition of progesterone-induced alkaline phosphatase activity

Bioorg Med Chem 15: 6556-64 (2007)


Article DOI: 10.1016/j.bmc.2007.07.011
BindingDB Entry DOI: 10.7270/Q2CV4HGN
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50169354
PNG
(5-(3-Cyclopentyl-2-oxo-2,3-dihydro-1H-benzoimidazo...)
Show SMILES Cn1c(ccc1-c1ccc2[nH]c(=O)n(C3CCCC3)c2c1)C#N
Show InChI InChI=1S/C18H18N4O/c1-21-14(11-19)7-9-16(21)12-6-8-15-17(10-12)22(18(23)20-15)13-4-2-3-5-13/h6-10,13H,2-5H2,1H3,(H,20,23)
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n/an/a 26n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Binding affinity to cytosolic PR in T47D cells by competition binding assay

Bioorg Med Chem 15: 6556-64 (2007)


Article DOI: 10.1016/j.bmc.2007.07.011
BindingDB Entry DOI: 10.7270/Q2CV4HGN
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50219262
PNG
(6-(3-chloro-4-fluorophenyl)-1-(1-ethylpropyl)-1,3-...)
Show SMILES CCC(CC)n1c2cc(ccc2[nH]c1=S)-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C18H18ClFN2S/c1-3-13(4-2)22-17-10-12(6-8-16(17)21-18(22)23)11-5-7-15(20)14(19)9-11/h5-10,13H,3-4H2,1-2H3,(H,21,23)
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n/an/a 34n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor expressed in T47D cells assesed as inhibition of progesterone-induced alkaline phosphatase activity

Bioorg Med Chem 15: 6556-64 (2007)


Article DOI: 10.1016/j.bmc.2007.07.011
BindingDB Entry DOI: 10.7270/Q2CV4HGN
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50219260
PNG
(5-(3-cyclopentyl-2-thioxo-2,3-dihydro-1H-benzimida...)
Show SMILES Cn1c(ccc1-c1ccc2[nH]c(=S)n(C3CCCC3)c2c1)C#N
Show InChI InChI=1S/C18H18N4S/c1-21-14(11-19)7-9-16(21)12-6-8-15-17(10-12)22(18(23)20-15)13-4-2-3-5-13/h6-10,13H,2-5H2,1H3,(H,20,23)
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n/an/a 99n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor expressed in L929 cells by HRE-tk luciferase assay

Bioorg Med Chem 15: 6556-64 (2007)


Article DOI: 10.1016/j.bmc.2007.07.011
BindingDB Entry DOI: 10.7270/Q2CV4HGN
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50219260
PNG
(5-(3-cyclopentyl-2-thioxo-2,3-dihydro-1H-benzimida...)
Show SMILES Cn1c(ccc1-c1ccc2[nH]c(=S)n(C3CCCC3)c2c1)C#N
Show InChI InChI=1S/C18H18N4S/c1-21-14(11-19)7-9-16(21)12-6-8-15-17(10-12)22(18(23)20-15)13-4-2-3-5-13/h6-10,13H,2-5H2,1H3,(H,20,23)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Antagonist activity at androgen receptor expressed in A549 cells by HRE-tk luciferase assay

Bioorg Med Chem 15: 6556-64 (2007)


Article DOI: 10.1016/j.bmc.2007.07.011
BindingDB Entry DOI: 10.7270/Q2CV4HGN
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50219264
PNG
(5-[3-(1-ethylpropyl)-2-thioxo-2,3-dihydro-1H-benzi...)
Show SMILES CCC(CC)n1c2cc(ccc2[nH]c1=S)-c1ccc(C#N)n1C
Show InChI InChI=1S/C18H20N4S/c1-4-13(5-2)22-17-10-12(6-8-15(17)20-18(22)23)16-9-7-14(11-19)21(16)3/h6-10,13H,4-5H2,1-3H3,(H,20,23)
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n/an/an/an/a 1n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Agonist activity at progesterone receptor expressed in T47D cells by alkaline phosphatase assay

Bioorg Med Chem 15: 6556-64 (2007)


Article DOI: 10.1016/j.bmc.2007.07.011
BindingDB Entry DOI: 10.7270/Q2CV4HGN
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50219266
PNG
(1-cyclopentyl-6-(3,4-difluorophenyl)-1,3-dihydro-2...)
Show SMILES Fc1ccc(cc1F)-c1ccc2[nH]c(=S)n(C3CCCC3)c2c1
Show InChI InChI=1S/C18H16F2N2S/c19-14-7-5-11(9-15(14)20)12-6-8-16-17(10-12)22(18(23)21-16)13-3-1-2-4-13/h5-10,13H,1-4H2,(H,21,23)
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n/an/an/an/a 63n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Agonist activity at progesterone receptor expressed in T47D cells by alkaline phosphatase assay

Bioorg Med Chem 15: 6556-64 (2007)


Article DOI: 10.1016/j.bmc.2007.07.011
BindingDB Entry DOI: 10.7270/Q2CV4HGN
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50219267
PNG
(3-(3-cyclobutyl-2-thioxo-2,3-dihydro-1H-benzimidaz...)
Show SMILES Fc1cc(cc(c1)-c1ccc2[nH]c(=S)n(C3CCC3)c2c1)C#N
Show InChI InChI=1S/C18H14FN3S/c19-14-7-11(10-20)6-13(8-14)12-4-5-16-17(9-12)22(18(23)21-16)15-2-1-3-15/h4-9,15H,1-3H2,(H,21,23)
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n/an/an/an/a 2.70n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Agonist activity at progesterone receptor expressed in T47D cells by alkaline phosphatase assay

Bioorg Med Chem 15: 6556-64 (2007)


Article DOI: 10.1016/j.bmc.2007.07.011
BindingDB Entry DOI: 10.7270/Q2CV4HGN
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50219261
PNG
(5-(3-cyclobutyl-2-thioxo-2,3-dihydro-1H-benzimidaz...)
Show SMILES Cn1c(ccc1-c1ccc2[nH]c(=S)n(C3CCC3)c2c1)C#N
Show InChI InChI=1S/C17H16N4S/c1-20-13(10-18)6-8-15(20)11-5-7-14-16(9-11)21(17(22)19-14)12-3-2-4-12/h5-9,12H,2-4H2,1H3,(H,19,22)
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n/an/an/an/a 0.5n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Agonist activity at progesterone receptor expressed in T47D cells by alkaline phosphatase assay

Bioorg Med Chem 15: 6556-64 (2007)


Article DOI: 10.1016/j.bmc.2007.07.011
BindingDB Entry DOI: 10.7270/Q2CV4HGN
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50219260
PNG
(5-(3-cyclopentyl-2-thioxo-2,3-dihydro-1H-benzimida...)
Show SMILES Cn1c(ccc1-c1ccc2[nH]c(=S)n(C3CCCC3)c2c1)C#N
Show InChI InChI=1S/C18H18N4S/c1-21-14(11-19)7-9-16(21)12-6-8-15-17(10-12)22(18(23)20-15)13-4-2-3-5-13/h6-10,13H,2-5H2,1H3,(H,20,23)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Agonist activity at androgen receptor expressed in A549 cells by HRE-tk luciferase assay

Bioorg Med Chem 15: 6556-64 (2007)


Article DOI: 10.1016/j.bmc.2007.07.011
BindingDB Entry DOI: 10.7270/Q2CV4HGN
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50219260
PNG
(5-(3-cyclopentyl-2-thioxo-2,3-dihydro-1H-benzimida...)
Show SMILES Cn1c(ccc1-c1ccc2[nH]c(=S)n(C3CCCC3)c2c1)C#N
Show InChI InChI=1S/C18H18N4S/c1-21-14(11-19)7-9-16(21)12-6-8-15-17(10-12)22(18(23)20-15)13-4-2-3-5-13/h6-10,13H,2-5H2,1H3,(H,20,23)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor expressed in L929 cells by HRE-tk luciferase assay

Bioorg Med Chem 15: 6556-64 (2007)


Article DOI: 10.1016/j.bmc.2007.07.011
BindingDB Entry DOI: 10.7270/Q2CV4HGN
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50219259
PNG
(5-(3-Cyclobutyl-2-oxo-2,3-dihydro-1H-benzoimidazol...)
Show SMILES Cn1c(ccc1-c1ccc2[nH]c(=O)n(C3CCC3)c2c1)C#N
Show InChI InChI=1S/C17H16N4O/c1-20-13(10-18)6-8-15(20)11-5-7-14-16(9-11)21(17(22)19-14)12-3-2-4-12/h5-9,12H,2-4H2,1H3,(H,19,22)
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n/an/an/an/a>3.00E+3n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Agonist activity at progesterone receptor expressed in T47D cells by alkaline phosphatase assay

Bioorg Med Chem 15: 6556-64 (2007)


Article DOI: 10.1016/j.bmc.2007.07.011
BindingDB Entry DOI: 10.7270/Q2CV4HGN
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50219260
PNG
(5-(3-cyclopentyl-2-thioxo-2,3-dihydro-1H-benzimida...)
Show SMILES Cn1c(ccc1-c1ccc2[nH]c(=S)n(C3CCCC3)c2c1)C#N
Show InChI InChI=1S/C18H18N4S/c1-21-14(11-19)7-9-16(21)12-6-8-15-17(10-12)22(18(23)20-15)13-4-2-3-5-13/h6-10,13H,2-5H2,1H3,(H,20,23)
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n/an/an/an/a 0.100n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Agonist activity at progesterone receptor expressed in T47D cells by alkaline phosphatase assay

Bioorg Med Chem 15: 6556-64 (2007)


Article DOI: 10.1016/j.bmc.2007.07.011
BindingDB Entry DOI: 10.7270/Q2CV4HGN
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50219263
PNG
(3-[3-(1-ethylpropyl)-2-thioxo-2,3-dihydro-1H-benzi...)
Show SMILES CCC(CC)n1c2cc(ccc2[nH]c1=S)-c1cc(F)cc(c1)C#N
Show InChI InChI=1S/C19H18FN3S/c1-3-16(4-2)23-18-10-13(5-6-17(18)22-19(23)24)14-7-12(11-21)8-15(20)9-14/h5-10,16H,3-4H2,1-2H3,(H,22,24)
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n/an/an/an/a 270n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Agonist activity at progesterone receptor expressed in T47D cells by alkaline phosphatase assay

Bioorg Med Chem 15: 6556-64 (2007)


Article DOI: 10.1016/j.bmc.2007.07.011
BindingDB Entry DOI: 10.7270/Q2CV4HGN
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50169354
PNG
(5-(3-Cyclopentyl-2-oxo-2,3-dihydro-1H-benzoimidazo...)
Show SMILES Cn1c(ccc1-c1ccc2[nH]c(=O)n(C3CCCC3)c2c1)C#N
Show InChI InChI=1S/C18H18N4O/c1-21-14(11-19)7-9-16(21)12-6-8-15-17(10-12)22(18(23)20-15)13-4-2-3-5-13/h6-10,13H,2-5H2,1H3,(H,20,23)
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n/an/an/an/a>3.00E+3n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Agonist activity at progesterone receptor expressed in T47D cells by alkaline phosphatase assay

Bioorg Med Chem 15: 6556-64 (2007)


Article DOI: 10.1016/j.bmc.2007.07.011
BindingDB Entry DOI: 10.7270/Q2CV4HGN
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50219265
PNG
(5-[3-(1-ethylpropyl)-2-oxo-2,3-dihydro-1H-benzimid...)
Show SMILES CCC(CC)n1c2cc(ccc2[nH]c1=O)-c1ccc(C#N)n1C
Show InChI InChI=1S/C18H20N4O/c1-4-13(5-2)22-17-10-12(6-8-15(17)20-18(22)23)16-9-7-14(11-19)21(16)3/h6-10,13H,4-5H2,1-3H3,(H,20,23)
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PubMed
n/an/an/an/a>3.00E+3n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Agonist activity at progesterone receptor expressed in T47D cells by alkaline phosphatase assay

Bioorg Med Chem 15: 6556-64 (2007)


Article DOI: 10.1016/j.bmc.2007.07.011
BindingDB Entry DOI: 10.7270/Q2CV4HGN
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50219257
PNG
(6-(3-chloro-4-fluorophenyl)-1-cyclopentyl-1,3-dihy...)
Show SMILES Fc1ccc(cc1Cl)-c1ccc2[nH]c(=S)n(C3CCCC3)c2c1
Show InChI InChI=1S/C18H16ClFN2S/c19-14-9-11(5-7-15(14)20)12-6-8-16-17(10-12)22(18(23)21-16)13-3-1-2-4-13/h5-10,13H,1-4H2,(H,21,23)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 49n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Agonist activity at progesterone receptor expressed in T47D cells by alkaline phosphatase assay

Bioorg Med Chem 15: 6556-64 (2007)


Article DOI: 10.1016/j.bmc.2007.07.011
BindingDB Entry DOI: 10.7270/Q2CV4HGN
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%