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PubMed code 20430618

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))
BDBM50318942
PNG
(4-(2,4-diethyl-1-(2-methoxyethyl)-1H-pyrrol-3-ylox...)
Show SMILES CCc1cn(CCOC)c(CC)c1Oc1ccc(cc1)C#N
Show InChI InChI=1S/C18H22N2O2/c1-4-15-13-20(10-11-21-3)17(5-2)18(15)22-16-8-6-14(12-19)7-9-16/h6-9,13H,4-5,10-11H2,1-3H3
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n/an/a 13n/an/an/an/an/an/a



Pfizer PharmaTherapeutics Division

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant progesterone receptor expressed in CHO-MMTV-beta-lactamase cells assessed as inhibition of progesterone-indu...


Bioorg Med Chem Lett 20: 3384-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.018
BindingDB Entry DOI: 10.7270/Q2NK3F6K
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50318939
PNG
(2-(3-(4-cyanophenoxy)-2,4-diethyl-1H-pyrrol-1-yl)-...)
Show SMILES CCc1cn(CC(=O)NC)c(CC)c1Oc1ccc(cc1)C#N
Show InChI InChI=1S/C18H21N3O2/c1-4-14-11-21(12-17(22)20-3)16(5-2)18(14)23-15-8-6-13(10-19)7-9-15/h6-9,11H,4-5,12H2,1-3H3,(H,20,22)
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n/an/a 35n/an/an/an/an/an/a



Pfizer PharmaTherapeutics Division

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant progesterone receptor expressed in CHO-MMTV-beta-lactamase cells assessed as inhibition of progesterone-indu...


Bioorg Med Chem Lett 20: 3384-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.018
BindingDB Entry DOI: 10.7270/Q2NK3F6K
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50318934
PNG
(2-(3-(4-cyanophenoxy)-2,4-dicyclopropyl-1H-pyrrol-...)
Show SMILES CNC(=O)Cn1cc(C2CC2)c(Oc2ccc(cc2)C#N)c1C1CC1
Show InChI InChI=1S/C20H21N3O2/c1-22-18(24)12-23-11-17(14-4-5-14)20(19(23)15-6-7-15)25-16-8-2-13(10-21)3-9-16/h2-3,8-9,11,14-15H,4-7,12H2,1H3,(H,22,24)
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n/an/a 47n/an/an/an/an/an/a



Pfizer PharmaTherapeutics Division

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant progesterone receptor expressed in CHO-MMTV-beta-lactamase cells assessed as inhibition of progesterone-indu...


Bioorg Med Chem Lett 20: 3384-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.018
BindingDB Entry DOI: 10.7270/Q2NK3F6K
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50318937
PNG
(4-(2,4-diethyl-1-(methylsulfonylmethyl)-1H-pyrrol-...)
Show SMILES CCc1cn(CS(C)(=O)=O)c(CC)c1Oc1ccc(cc1)C#N
Show InChI InChI=1S/C17H20N2O3S/c1-4-14-11-19(12-23(3,20)21)16(5-2)17(14)22-15-8-6-13(10-18)7-9-15/h6-9,11H,4-5,12H2,1-3H3
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n/an/a 56n/an/an/an/an/an/a



Pfizer PharmaTherapeutics Division

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant progesterone receptor expressed in CHO-MMTV-beta-lactamase cells assessed as inhibition of progesterone-indu...


Bioorg Med Chem Lett 20: 3384-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.018
BindingDB Entry DOI: 10.7270/Q2NK3F6K
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50318933
PNG
(4-(2,4-dicyclopropyl-1-(methylsulfonylmethyl)-1H-p...)
Show SMILES CS(=O)(=O)Cn1cc(C2CC2)c(Oc2ccc(cc2)C#N)c1C1CC1
Show InChI InChI=1S/C19H20N2O3S/c1-25(22,23)12-21-11-17(14-4-5-14)19(18(21)15-6-7-15)24-16-8-2-13(10-20)3-9-16/h2-3,8-9,11,14-15H,4-7,12H2,1H3
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n/an/a 71n/an/an/an/an/an/a



Pfizer PharmaTherapeutics Division

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant progesterone receptor expressed in CHO-MMTV-beta-lactamase cells assessed as inhibition of progesterone-indu...


Bioorg Med Chem Lett 20: 3384-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.018
BindingDB Entry DOI: 10.7270/Q2NK3F6K
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50318943
PNG
(4-(2,4-diethyl-1-(2-hydroxyethyl)-1H-pyrrol-3-ylox...)
Show SMILES CCc1cn(CCO)c(CC)c1Oc1ccc(cc1)C#N
Show InChI InChI=1S/C17H20N2O2/c1-3-14-12-19(9-10-20)16(4-2)17(14)21-15-7-5-13(11-18)6-8-15/h5-8,12,20H,3-4,9-10H2,1-2H3
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n/an/a 131n/an/an/an/an/an/a



Pfizer PharmaTherapeutics Division

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant progesterone receptor expressed in CHO-MMTV-beta-lactamase cells assessed as inhibition of progesterone-indu...


Bioorg Med Chem Lett 20: 3384-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.018
BindingDB Entry DOI: 10.7270/Q2NK3F6K
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50318940
PNG
(2-(3-(4-cyanophenoxy)-2,4-diethyl-1H-pyrrol-1-yl)a...)
Show SMILES CCc1cn(CC(N)=O)c(CC)c1Oc1ccc(cc1)C#N
Show InChI InChI=1S/C17H19N3O2/c1-3-13-10-20(11-16(19)21)15(4-2)17(13)22-14-7-5-12(9-18)6-8-14/h5-8,10H,3-4,11H2,1-2H3,(H2,19,21)
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n/an/a 173n/an/an/an/an/an/a



Pfizer PharmaTherapeutics Division

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant progesterone receptor expressed in CHO-MMTV-beta-lactamase cells assessed as inhibition of progesterone-indu...


Bioorg Med Chem Lett 20: 3384-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.018
BindingDB Entry DOI: 10.7270/Q2NK3F6K
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50318935
PNG
(4-(2,4-diethyl-1-(3-hydroxypropyl)-1H-pyrrol-3-ylo...)
Show SMILES CCc1cn(CCCO)c(CC)c1Oc1ccc(cc1)C#N
Show InChI InChI=1S/C18H22N2O2/c1-3-15-13-20(10-5-11-21)17(4-2)18(15)22-16-8-6-14(12-19)7-9-16/h6-9,13,21H,3-5,10-11H2,1-2H3
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n/an/a 204n/an/an/an/an/an/a



Pfizer PharmaTherapeutics Division

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant progesterone receptor expressed in CHO-MMTV-beta-lactamase cells assessed as inhibition of progesterone-indu...


Bioorg Med Chem Lett 20: 3384-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.018
BindingDB Entry DOI: 10.7270/Q2NK3F6K
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50318944
PNG
(4-(2,4-diethyl-1H-pyrrol-3-yloxy)benzonitrile | CH...)
Show SMILES CCc1c[nH]c(CC)c1Oc1ccc(cc1)C#N
Show InChI InChI=1S/C15H16N2O/c1-3-12-10-17-14(4-2)15(12)18-13-7-5-11(9-16)6-8-13/h5-8,10,17H,3-4H2,1-2H3
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n/an/a 224n/an/an/an/an/an/a



Pfizer PharmaTherapeutics Division

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant progesterone receptor expressed in CHO-MMTV-beta-lactamase cells assessed as inhibition of progesterone-indu...


Bioorg Med Chem Lett 20: 3384-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.018
BindingDB Entry DOI: 10.7270/Q2NK3F6K
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50318938
PNG
(2-(3-(4-cyanophenoxy)-2,4-diethyl-1H-pyrrol-1-yl)-...)
Show SMILES CCc1cn(CC(=O)N(C)C)c(CC)c1Oc1ccc(cc1)C#N
Show InChI InChI=1S/C19H23N3O2/c1-5-15-12-22(13-18(23)21(3)4)17(6-2)19(15)24-16-9-7-14(11-20)8-10-16/h7-10,12H,5-6,13H2,1-4H3
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n/an/a 886n/an/an/an/an/an/a



Pfizer PharmaTherapeutics Division

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant progesterone receptor expressed in CHO-MMTV-beta-lactamase cells assessed as inhibition of progesterone-indu...


Bioorg Med Chem Lett 20: 3384-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.018
BindingDB Entry DOI: 10.7270/Q2NK3F6K
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50318936
PNG
(4-(1-(2-aminoethyl)-2,4-diethyl-1H-pyrrol-3-yloxy)...)
Show SMILES CCc1cn(CCN)c(CC)c1Oc1ccc(cc1)C#N
Show InChI InChI=1S/C17H21N3O/c1-3-14-12-20(10-9-18)16(4-2)17(14)21-15-7-5-13(11-19)6-8-15/h5-8,12H,3-4,9-10,18H2,1-2H3
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n/an/a 1.13E+3n/an/an/an/an/an/a



Pfizer PharmaTherapeutics Division

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant progesterone receptor expressed in CHO-MMTV-beta-lactamase cells assessed as inhibition of progesterone-indu...


Bioorg Med Chem Lett 20: 3384-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.018
BindingDB Entry DOI: 10.7270/Q2NK3F6K
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50318943
PNG
(4-(2,4-diethyl-1-(2-hydroxyethyl)-1H-pyrrol-3-ylox...)
Show SMILES CCc1cn(CCO)c(CC)c1Oc1ccc(cc1)C#N
Show InChI InChI=1S/C17H20N2O2/c1-3-14-12-19(9-10-20)16(4-2)17(14)21-15-7-5-13(11-18)6-8-15/h5-8,12,20H,3-4,9-10H2,1-2H3
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n/an/a>5.00E+3n/an/an/an/an/an/a



Pfizer PharmaTherapeutics Division

Curated by ChEMBL


Assay Description
Inhibition of glucocorticoid receptor


Bioorg Med Chem Lett 20: 3384-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.018
BindingDB Entry DOI: 10.7270/Q2NK3F6K
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50318943
PNG
(4-(2,4-diethyl-1-(2-hydroxyethyl)-1H-pyrrol-3-ylox...)
Show SMILES CCc1cn(CCO)c(CC)c1Oc1ccc(cc1)C#N
Show InChI InChI=1S/C17H20N2O2/c1-3-14-12-19(9-10-20)16(4-2)17(14)21-15-7-5-13(11-18)6-8-15/h5-8,12,20H,3-4,9-10H2,1-2H3
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n/an/a>5.00E+3n/an/an/an/an/an/a



Pfizer PharmaTherapeutics Division

Curated by ChEMBL


Assay Description
Inhibition of estrogen receptor


Bioorg Med Chem Lett 20: 3384-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.018
BindingDB Entry DOI: 10.7270/Q2NK3F6K
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50318943
PNG
(4-(2,4-diethyl-1-(2-hydroxyethyl)-1H-pyrrol-3-ylox...)
Show SMILES CCc1cn(CCO)c(CC)c1Oc1ccc(cc1)C#N
Show InChI InChI=1S/C17H20N2O2/c1-3-14-12-19(9-10-20)16(4-2)17(14)21-15-7-5-13(11-18)6-8-15/h5-8,12,20H,3-4,9-10H2,1-2H3
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n/an/a>5.00E+3n/an/an/an/an/an/a



Pfizer PharmaTherapeutics Division

Curated by ChEMBL


Assay Description
Inhibition of androgen receptor


Bioorg Med Chem Lett 20: 3384-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.018
BindingDB Entry DOI: 10.7270/Q2NK3F6K
More data for this
Ligand-Target Pair
Mineralocorticoid receptor (MR)


(Homo sapiens (Human))
BDBM50318943
PNG
(4-(2,4-diethyl-1-(2-hydroxyethyl)-1H-pyrrol-3-ylox...)
Show SMILES CCc1cn(CCO)c(CC)c1Oc1ccc(cc1)C#N
Show InChI InChI=1S/C17H20N2O2/c1-3-14-12-19(9-10-20)16(4-2)17(14)21-15-7-5-13(11-18)6-8-15/h5-8,12,20H,3-4,9-10H2,1-2H3
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Pfizer PharmaTherapeutics Division

Curated by ChEMBL


Assay Description
Inhibition of mineralocorticoid receptor


Bioorg Med Chem Lett 20: 3384-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.018
BindingDB Entry DOI: 10.7270/Q2NK3F6K
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50318934
PNG
(2-(3-(4-cyanophenoxy)-2,4-dicyclopropyl-1H-pyrrol-...)
Show SMILES CNC(=O)Cn1cc(C2CC2)c(Oc2ccc(cc2)C#N)c1C1CC1
Show InChI InChI=1S/C20H21N3O2/c1-22-18(24)12-23-11-17(14-4-5-14)20(19(23)15-6-7-15)25-16-8-2-13(10-21)3-9-16/h2-3,8-9,11,14-15H,4-7,12H2,1H3,(H,22,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer PharmaTherapeutics Division

Curated by ChEMBL


Assay Description
Inhibition of estrogen receptor


Bioorg Med Chem Lett 20: 3384-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.018
BindingDB Entry DOI: 10.7270/Q2NK3F6K
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50318941
PNG
(2-(3-(4-cyanophenoxy)-2,4-diethyl-1H-pyrrol-1-yl)a...)
Show SMILES CCc1cn(CC(O)=O)c(CC)c1Oc1ccc(cc1)C#N
Show InChI InChI=1S/C17H18N2O3/c1-3-13-10-19(11-16(20)21)15(4-2)17(13)22-14-7-5-12(9-18)6-8-14/h5-8,10H,3-4,11H2,1-2H3,(H,20,21)
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Pfizer PharmaTherapeutics Division

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant progesterone receptor expressed in CHO-MMTV-beta-lactamase cells assessed as inhibition of progesterone-indu...


Bioorg Med Chem Lett 20: 3384-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.018
BindingDB Entry DOI: 10.7270/Q2NK3F6K
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50318934
PNG
(2-(3-(4-cyanophenoxy)-2,4-dicyclopropyl-1H-pyrrol-...)
Show SMILES CNC(=O)Cn1cc(C2CC2)c(Oc2ccc(cc2)C#N)c1C1CC1
Show InChI InChI=1S/C20H21N3O2/c1-22-18(24)12-23-11-17(14-4-5-14)20(19(23)15-6-7-15)25-16-8-2-13(10-21)3-9-16/h2-3,8-9,11,14-15H,4-7,12H2,1H3,(H,22,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer PharmaTherapeutics Division

Curated by ChEMBL


Assay Description
Inhibition of glucocorticoid receptor


Bioorg Med Chem Lett 20: 3384-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.018
BindingDB Entry DOI: 10.7270/Q2NK3F6K
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50318934
PNG
(2-(3-(4-cyanophenoxy)-2,4-dicyclopropyl-1H-pyrrol-...)
Show SMILES CNC(=O)Cn1cc(C2CC2)c(Oc2ccc(cc2)C#N)c1C1CC1
Show InChI InChI=1S/C20H21N3O2/c1-22-18(24)12-23-11-17(14-4-5-14)20(19(23)15-6-7-15)25-16-8-2-13(10-21)3-9-16/h2-3,8-9,11,14-15H,4-7,12H2,1H3,(H,22,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer PharmaTherapeutics Division

Curated by ChEMBL


Assay Description
Inhibition of androgen receptor


Bioorg Med Chem Lett 20: 3384-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.018
BindingDB Entry DOI: 10.7270/Q2NK3F6K
More data for this
Ligand-Target Pair
Mineralocorticoid receptor (MR)


(Homo sapiens (Human))
BDBM50318934
PNG
(2-(3-(4-cyanophenoxy)-2,4-dicyclopropyl-1H-pyrrol-...)
Show SMILES CNC(=O)Cn1cc(C2CC2)c(Oc2ccc(cc2)C#N)c1C1CC1
Show InChI InChI=1S/C20H21N3O2/c1-22-18(24)12-23-11-17(14-4-5-14)20(19(23)15-6-7-15)25-16-8-2-13(10-21)3-9-16/h2-3,8-9,11,14-15H,4-7,12H2,1H3,(H,22,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer PharmaTherapeutics Division

Curated by ChEMBL


Assay Description
Inhibition of mineralocorticoid receptor


Bioorg Med Chem Lett 20: 3384-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.018
BindingDB Entry DOI: 10.7270/Q2NK3F6K
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50318934
PNG
(2-(3-(4-cyanophenoxy)-2,4-dicyclopropyl-1H-pyrrol-...)
Show SMILES CNC(=O)Cn1cc(C2CC2)c(Oc2ccc(cc2)C#N)c1C1CC1
Show InChI InChI=1S/C20H21N3O2/c1-22-18(24)12-23-11-17(14-4-5-14)20(19(23)15-6-7-15)25-16-8-2-13(10-21)3-9-16/h2-3,8-9,11,14-15H,4-7,12H2,1H3,(H,22,24)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 4.00E+4n/an/an/an/an/an/a



Pfizer PharmaTherapeutics Division

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor in human T47D cells by alkaline phosphatase release


Bioorg Med Chem Lett 20: 3384-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.018
BindingDB Entry DOI: 10.7270/Q2NK3F6K
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%