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Compile Data Set for Download or QSAR

Found 13 hits Enz. Inhib. hit(s) with Target = 'Progesterone receptor' AND taxid = 10116   
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


(Rattus norvegicus)
BDBM18656
PNG
((2R,5S)-4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-...)
Show SMILES C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1ccc(nc1)C(F)(F)F)c1ccc(C#N)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C21H19F6N5O/c1-12-11-32(19(33)30-15-4-6-18(29-9-15)21(25,26)27)13(2)10-31(12)16-5-3-14(8-28)17(7-16)20(22,23)24/h3-7,9,12-13H,10-11H2,1-2H3,(H,30,33)/t12-,13+/m0/s1
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3.30E+3n/an/an/an/an/an/an/an/a



Astellas Pharma Inc.



Assay Description
The Ki values were determined by the application of the Cheng-Prusoff equation: Ki=IC50/(1+[L]/Kd] where [L] is the concentration of labeled ligand a...


J Med Chem 49: 716-26 (2006)


Article DOI: 10.1021/jm050293c
BindingDB Entry DOI: 10.7270/Q2P84952
More data for this
Ligand-Target Pair
Progesterone receptor


(Rattus norvegicus)
BDBM18525
PNG
(Bicalutamide | CHEMBL409 | N-[4-cyano-3-(trifluoro...)
Show SMILES CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C18H14F4N2O4S/c1-17(26,10-29(27,28)14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25)
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7.20E+3n/an/an/an/an/an/an/an/a



Astellas Pharma Inc.



Assay Description
The Ki values were determined by the application of the Cheng-Prusoff equation: Ki=IC50/(1+[L]/Kd] where [L] is the concentration of labeled ligand a...


J Med Chem 49: 716-26 (2006)


Article DOI: 10.1021/jm050293c
BindingDB Entry DOI: 10.7270/Q2P84952
More data for this
Ligand-Target Pair
Progesterone receptor


(Rattus norvegicus)
BDBM50366382
PNG
(CHEMBL57078)
Show SMILES C[C@]12CCC3C(CCC4=CC(=O)CC[C@H]34)C1CC[C@@]2(O)C(F)(F)F |t:8|
Show InChI InChI=1S/C19H25F3O2/c1-17-8-6-14-13-5-3-12(23)10-11(13)2-4-15(14)16(17)7-9-18(17,24)19(20,21)22/h10,13-16,24H,2-9H2,1H3/t13-,14?,15?,16?,17-,18-/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]R5020 binding to cytosolic progesterone receptor (PRc) of rat uterus


Bioorg Med Chem Lett 5: 1899-1902 (1995)


Article DOI: 10.1016/0960-894X(95)00320-S
BindingDB Entry DOI: 10.7270/Q2KP82N5
More data for this
Ligand-Target Pair
Progesterone receptor


(Rattus norvegicus)
BDBM18627
PNG
((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20|
Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1
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n/an/a 3.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]R5020 binding to cytosolic progesterone receptor (PRc) of rat uterus


Bioorg Med Chem Lett 5: 1899-1902 (1995)


Article DOI: 10.1016/0960-894X(95)00320-S
BindingDB Entry DOI: 10.7270/Q2KP82N5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Progesterone receptor


(Rattus norvegicus)
BDBM50366381
PNG
(CHEMBL301446)
Show SMILES C[C@]12CCC3=C4CCC(=O)C=C4CCC3C1CC[C@@]2(O)C(F)(F)F |c:4,10|
Show InChI InChI=1S/C19H23F3O2/c1-17-8-6-14-13-5-3-12(23)10-11(13)2-4-15(14)16(17)7-9-18(17,24)19(20,21)22/h10,15-16,24H,2-9H2,1H3/t15?,16?,17-,18-/m0/s1
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n/an/a 4.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]R5020 binding to cytosolic progesterone receptor (PRc) of rat uterus


Bioorg Med Chem Lett 5: 1899-1902 (1995)


Article DOI: 10.1016/0960-894X(95)00320-S
BindingDB Entry DOI: 10.7270/Q2KP82N5
More data for this
Ligand-Target Pair
Progesterone receptor


(Rattus norvegicus)
BDBM50126158
PNG
(3-fluoro-5-(2'-thioxo-1',2'-dihydrospiro[cyclohexa...)
Show SMILES Fc1cc(cc(c1)-c1ccc2NC(=S)C3(CCCCC3)c2c1)C#N
Show InChI InChI=1S/C20H17FN2S/c21-16-9-13(12-22)8-15(10-16)14-4-5-18-17(11-14)20(19(24)23-18)6-2-1-3-7-20/h4-5,8-11H,1-3,6-7H2,(H,23,24)
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n/an/a 7.43n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory progestational activity on oral administration in uterine C3 model


Bioorg Med Chem Lett 13: 1317-20 (2003)


BindingDB Entry DOI: 10.7270/Q2WS8SNP
More data for this
Ligand-Target Pair
Progesterone receptor


(Rattus norvegicus)
BDBM50366380
PNG
(CHEMBL56509)
Show SMILES C[C@]12C=CC3=C4CCC(=O)C=C4CCC3C1CC[C@@]2(O)C(F)(F)F |c:2,4,10|
Show InChI InChI=1S/C19H21F3O2/c1-17-8-6-14-13-5-3-12(23)10-11(13)2-4-15(14)16(17)7-9-18(17,24)19(20,21)22/h6,8,10,15-16,24H,2-5,7,9H2,1H3/t15?,16?,17-,18-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]R5020 binding to cytosolic progesterone receptor (PRc) of rat uterus


Bioorg Med Chem Lett 5: 1899-1902 (1995)


Article DOI: 10.1016/0960-894X(95)00320-S
BindingDB Entry DOI: 10.7270/Q2KP82N5
More data for this
Ligand-Target Pair
Progesterone receptor


(Rattus norvegicus)
BDBM50067678
PNG
((6alpha)-17-(Acetyloxy)-6-methylpreg-4-ene-3,20-di...)
Show SMILES C[C@H]1C[C@H]2[C@@H]3CC[C@](OC(C)=O)(C(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12 |r,t:28|
Show InChI InChI=1S/C24H34O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h13-14,18-20H,6-12H2,1-5H3/t14-,18+,19-,20-,22+,23-,24-/m0/s1
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n/an/a 67.3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory progestational activity on oral administration in uterine C3 model


Bioorg Med Chem Lett 13: 1317-20 (2003)


BindingDB Entry DOI: 10.7270/Q2WS8SNP
More data for this
Ligand-Target Pair
Progesterone receptor


(Rattus norvegicus)
BDBM50404222
PNG
(CHEMBL417475)
Show SMILES S=C1Nc2ccc(cc2C11CCCCC1)-c1ccc(s1)C#N
Show InChI InChI=1S/C18H16N2S2/c19-11-13-5-7-16(22-13)12-4-6-15-14(10-12)18(17(21)20-15)8-2-1-3-9-18/h4-7,10H,1-3,8-9H2,(H,20,21)
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n/an/a 92.5n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Effective concnetration against Androgen receptor in mouse fibroblast L929 cells


Bioorg Med Chem Lett 13: 1317-20 (2003)


BindingDB Entry DOI: 10.7270/Q2WS8SNP
More data for this
Ligand-Target Pair
Progesterone receptor


(Rattus norvegicus)
BDBM50375837
PNG
(CHEMBL270976)
Show SMILES S=C1Nc2ccc(cc2C11CCCCC1)-c1cccc(c1)C#N
Show InChI InChI=1S/C20H18N2S/c21-13-14-5-4-6-15(11-14)16-7-8-18-17(12-16)20(19(23)22-18)9-2-1-3-10-20/h4-8,11-12H,1-3,9-10H2,(H,22,23)
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n/an/a 942n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Effective concentration of progesterone receptor agonist induction of alkaline phosphatase activity in human T47D breast carcinoma cells


Bioorg Med Chem Lett 13: 1317-20 (2003)


BindingDB Entry DOI: 10.7270/Q2WS8SNP
More data for this
Ligand-Target Pair
Progesterone receptor


(Rattus norvegicus)
BDBM50404229
PNG
(CHEMBL24089)
Show SMILES Clc1cccc(c1)-c1ccc2NC(=S)C3(CCCCC3)c2c1
Show InChI InChI=1S/C19H18ClNS/c20-15-6-4-5-13(11-15)14-7-8-17-16(12-14)19(18(22)21-17)9-2-1-3-10-19/h4-8,11-12H,1-3,9-10H2,(H,21,22)
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n/an/a 1.12E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory progestational activity on oral administration in uterine C3 model


Bioorg Med Chem Lett 13: 1317-20 (2003)


BindingDB Entry DOI: 10.7270/Q2WS8SNP
More data for this
Ligand-Target Pair
Progesterone receptor


(Rattus norvegicus)
BDBM50107347
PNG
((+)5-Allyl-10-methoxy-2,2,4-trimethyl-2,5-dihydro-...)
Show SMILES COc1cccc2OC(CC=C)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:21|
Show InChI InChI=1S/C23H25NO2/c1-6-8-18-22-15(21-17(25-5)9-7-10-19(21)26-18)11-12-16-20(22)14(2)13-23(3,4)24-16/h6-7,9-13,18,24H,1,8H2,2-5H3
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n/an/an/an/a 126n/an/an/an/a



Forschungszentrum Dresden-Rossendorf e.V.

Curated by ChEMBL


Assay Description
Binding affinity to progesterone receptor


Bioorg Med Chem Lett 17: 4035-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.094
BindingDB Entry DOI: 10.7270/Q25X2CRN
More data for this
Ligand-Target Pair
Progesterone receptor


(Rattus norvegicus)
BDBM18627
PNG
((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20|
Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1
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n/an/an/an/a 16n/an/an/an/a



Forschungszentrum Dresden-Rossendorf e.V.

Curated by ChEMBL


Assay Description
Binding affinity to progesterone receptor


Bioorg Med Chem Lett 17: 4035-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.094
BindingDB Entry DOI: 10.7270/Q25X2CRN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)