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Compile Data Set for Download or QSAR

Found 3623 hits Enz. Inhib. hit(s) with Target = 'Progesterone receptor'   
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))
BDBM18198
PNG
(1-(cyclopropylmethyl)-9-(trifluoromethyl)-1H,2H,3H...)
Show SMILES FC(F)(F)c1cc(=O)[nH]c2cc3OCCN(CC4CC4)c3cc12
Show InChI InChI=1S/C16H15F3N2O2/c17-16(18,19)11-6-15(22)20-12-7-14-13(5-10(11)12)21(3-4-23-14)8-9-1-2-9/h5-7,9H,1-4,8H2,(H,20,22)
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2.00E+3 -30.2n/an/an/an/an/a7.44



Ligand Pharmaceuticals Inc.



Assay Description
The procedure for the cross reactivity receptor binding assays was using baculovirus-expressed receptors. After correcting for nonspecific binding, I...


J Med Chem 50: 2486-96 (2007)


Article DOI: 10.1021/jm061329j
BindingDB Entry DOI: 10.7270/Q20R9MNK
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM18193
PNG
(1-ethyl-9-(trifluoromethyl)-1H,2H,3H,6H,7H-quinoli...)
Show SMILES CCN1CCOc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F
Show InChI InChI=1S/C14H13F3N2O2/c1-2-19-3-4-21-12-7-10-8(5-11(12)19)9(14(15,16)17)6-13(20)18-10/h5-7H,2-4H2,1H3,(H,18,20)
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5.20E+3 -28.0n/an/an/an/an/a7.44



Ligand Pharmaceuticals Inc.



Assay Description
The procedure for the cross reactivity receptor binding assays was using baculovirus-expressed receptors. After correcting for nonspecific binding, I...


J Med Chem 50: 2486-96 (2007)


Article DOI: 10.1021/jm061329j
BindingDB Entry DOI: 10.7270/Q20R9MNK
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM18197
PNG
(1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-1H,2H...)
Show SMILES FC(F)(F)CN1CCOc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F
Show InChI InChI=1S/C14H10F6N2O2/c15-13(16,17)6-22-1-2-24-11-5-9-7(3-10(11)22)8(14(18,19)20)4-12(23)21-9/h3-5H,1-2,6H2,(H,21,23)
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5.30E+3 -28.0n/an/an/an/an/a7.44



Ligand Pharmaceuticals Inc.



Assay Description
The procedure for the cross reactivity receptor binding assays was using baculovirus-expressed receptors. After correcting for nonspecific binding, I...


J Med Chem 50: 2486-96 (2007)


Article DOI: 10.1021/jm061329j
BindingDB Entry DOI: 10.7270/Q20R9MNK
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM18201
PNG
(3-methyl-1-(2,2,2-trifluoroethyl)-9-(trifluorometh...)
Show SMILES CC1CN(CC(F)(F)F)c2cc3c(cc(=O)[nH]c3cc2O1)C(F)(F)F
Show InChI InChI=1S/C15H12F6N2O2/c1-7-5-23(6-14(16,17)18)11-2-8-9(15(19,20)21)3-13(24)22-10(8)4-12(11)25-7/h2-4,7H,5-6H2,1H3,(H,22,24)
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7.00E+3 -27.4n/an/an/an/an/a7.44



Ligand Pharmaceuticals Inc.



Assay Description
The procedure for the cross reactivity receptor binding assays was using baculovirus-expressed receptors. After correcting for nonspecific binding, I...


J Med Chem 50: 2486-96 (2007)


Article DOI: 10.1021/jm061329j
BindingDB Entry DOI: 10.7270/Q20R9MNK
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM19236
PNG
(2-{2-bromo-5-[4-({[(2,4-difluorophenyl)methyl](3-m...)
Show SMILES Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccc(Oc2ccc(Br)c(OCC(O)=O)c2)cc1)Cc1ccc(F)cc1F
Show InChI InChI=1S/C30H27BrF2N2O6S/c1-19-27(34-42(2,38)39)4-3-5-28(19)35(17-21-8-9-22(32)14-26(21)33)16-20-6-10-23(11-7-20)41-24-12-13-25(31)29(15-24)40-18-30(36)37/h3-15,34H,16-18H2,1-2H3,(H,36,37)
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n/an/a 140n/an/an/an/a8.04



Abbott Laboratories



Assay Description
For compounds able to displace the radiolabeled ligand (competitor) from the receptor an IC50 value (the concentration required to inhibit 50% of the...


J Med Chem 48: 5295-304 (2005)


Article DOI: 10.1021/jm050205o
BindingDB Entry DOI: 10.7270/Q21C1V5P
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM19238
PNG
(2-{2-chloro-5-[4-({[(2,4-difluorophenyl)methyl](3-...)
Show SMILES Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccc(Oc2ccc(Cl)c(OCC(O)=O)c2)cc1)Cc1ccc(F)cc1F
Show InChI InChI=1S/C30H27ClF2N2O6S/c1-19-27(34-42(2,38)39)4-3-5-28(19)35(17-21-8-9-22(32)14-26(21)33)16-20-6-10-23(11-7-20)41-24-12-13-25(31)29(15-24)40-18-30(36)37/h3-15,34H,16-18H2,1-2H3,(H,36,37)
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n/an/a 150n/an/an/an/a8.04



Abbott Laboratories



Assay Description
For compounds able to displace the radiolabeled ligand (competitor) from the receptor an IC50 value (the concentration required to inhibit 50% of the...


J Med Chem 48: 5295-304 (2005)


Article DOI: 10.1021/jm050205o
BindingDB Entry DOI: 10.7270/Q21C1V5P
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM19235
PNG
(2-{5-[4-({[(2,4-difluorophenyl)methyl](3-methanesu...)
Show SMILES Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccc(Oc2ccc(F)c(OCC(O)=O)c2)cc1)Cc1ccc(F)cc1F
Show InChI InChI=1S/C30H27F3N2O6S/c1-19-27(34-42(2,38)39)4-3-5-28(19)35(17-21-8-9-22(31)14-26(21)33)16-20-6-10-23(11-7-20)41-24-12-13-25(32)29(15-24)40-18-30(36)37/h3-15,34H,16-18H2,1-2H3,(H,36,37)
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n/an/a 180n/an/an/an/a8.04



Abbott Laboratories



Assay Description
For compounds able to displace the radiolabeled ligand (competitor) from the receptor an IC50 value (the concentration required to inhibit 50% of the...


J Med Chem 48: 5295-304 (2005)


Article DOI: 10.1021/jm050205o
BindingDB Entry DOI: 10.7270/Q21C1V5P
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM19234
PNG
(4-{4-[3-(4-{[benzyl(3-methanesulfonamido-2-methylp...)
Show SMILES Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccc(Oc2cccc(OCCCC(=O)NCCCC(O)=O)c2)cc1
Show InChI InChI=1S/C36H41N3O7S/c1-27-33(38-47(2,43)44)14-7-15-34(27)39(25-28-10-4-3-5-11-28)26-29-18-20-30(21-19-29)46-32-13-6-12-31(24-32)45-23-9-16-35(40)37-22-8-17-36(41)42/h3-7,10-15,18-21,24,38H,8-9,16-17,22-23,25-26H2,1-2H3,(H,37,40)(H,41,42)
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n/an/a 550n/an/an/an/a8.04



Abbott Laboratories



Assay Description
For compounds able to displace the radiolabeled ligand (competitor) from the receptor an IC50 value (the concentration required to inhibit 50% of the...


J Med Chem 48: 5295-304 (2005)


Article DOI: 10.1021/jm050205o
BindingDB Entry DOI: 10.7270/Q21C1V5P
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM19233
PNG
((2R,10S,11S,14S,15S)-14-hydroxy-15-methyl-2-[(4-me...)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)CC=C1[C@@]2([H])CCC2=CC(=O)CC[C@]12Cc1ccc(C)cc1 |r,c:13,t:20|
Show InChI InChI=1S/C29H34O2/c1-4-14-29(31)17-13-25-24-10-9-22-18-23(30)11-16-28(22,26(24)12-15-27(25,29)3)19-21-7-5-20(2)6-8-21/h5-8,12,18,24-25,31H,9-11,13,15-17,19H2,1-3H3/t24-,25-,27-,28+,29-/m0/s1
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n/an/a 2.40E+3n/an/an/an/a8.04



Abbott Laboratories



Assay Description
For compounds able to displace the radiolabeled ligand (competitor) from the receptor an IC50 value (the concentration required to inhibit 50% of the...


J Med Chem 48: 5295-304 (2005)


Article DOI: 10.1021/jm050205o
BindingDB Entry DOI: 10.7270/Q21C1V5P
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
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 2.90n/an/an/an/a8.04



Abbott Laboratories



Assay Description
For compounds able to displace the radiolabeled ligand (competitor) from the receptor an IC50 value (the concentration required to inhibit 50% of the...


J Med Chem 48: 5295-304 (2005)


Article DOI: 10.1021/jm050205o
BindingDB Entry DOI: 10.7270/Q21C1V5P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Progesterone receptor


(Homo sapiens (Human))
BDBM19237
PNG
(2-[4-(4-{[benzyl(3-methanesulfonamido-2-methylphen...)
Show SMILES Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccc(Oc2ccc(OCC(O)=O)cc2)cc1
Show InChI InChI=1S/C30H30N2O6S/c1-22-28(31-39(2,35)36)9-6-10-29(22)32(19-23-7-4-3-5-8-23)20-24-11-13-26(14-12-24)38-27-17-15-25(16-18-27)37-21-30(33)34/h3-18,31H,19-21H2,1-2H3,(H,33,34)
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n/an/a 1.70E+3n/an/an/an/a8.04



Abbott Laboratories



Assay Description
For compounds able to displace the radiolabeled ligand (competitor) from the receptor an IC50 value (the concentration required to inhibit 50% of the...


J Med Chem 48: 5295-304 (2005)


Article DOI: 10.1021/jm050205o
BindingDB Entry DOI: 10.7270/Q21C1V5P
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50336931
PNG
(CHEMBL1672547 | N-(3-(4-cyano-3-fluorophenyl)-1-is...)
Show SMILES CC(C)n1cc(-c2ccc(C#N)c(F)c2)c2ccc(NS(C)(=O)=O)cc12
Show InChI InChI=1S/C19H18FN3O2S/c1-12(2)23-11-17(13-4-5-14(10-21)18(20)8-13)16-7-6-15(9-19(16)23)22-26(3,24)25/h4-9,11-12,22H,1-3H3
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0.214n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]methyltrienolone from human progesterone receptor expressed in HEK293 cells


ACS Med Chem Lett 2: 148-153 (2011)


Article DOI: 10.1021/ml100220b
BindingDB Entry DOI: 10.7270/Q2Z038G1
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
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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0.251n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 4 nM progesterone-stimulated transactivation of MMTV-Luc reporter in CV-1 cells expressing PR-B


Bioorg Med Chem Lett 15: 3203-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.001
BindingDB Entry DOI: 10.7270/Q2J67KP9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Progesterone receptor


(Homo sapiens (Human))
BDBM50336933
PNG
(CHEMBL1672541 | N-(3-(4-cyano-3-methylphenyl)-1-is...)
Show SMILES CC(C)n1cc(-c2ccc(C#N)c(C)c2)c2ccc(NS(C)(=O)=O)cc12
Show InChI InChI=1S/C20H21N3O2S/c1-13(2)23-12-19(15-5-6-16(11-21)14(3)9-15)18-8-7-17(10-20(18)23)22-26(4,24)25/h5-10,12-13,22H,1-4H3
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0.298n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]methyltrienolone from human progesterone receptor expressed in HEK293 cells


ACS Med Chem Lett 2: 148-153 (2011)


Article DOI: 10.1021/ml100220b
BindingDB Entry DOI: 10.7270/Q2Z038G1
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50062443
PNG
(5-(4-Chloro-phenyl)-9-fluoro-2,2,4-trimethyl-2,5-d...)
Show SMILES CC1=CC(C)(C)Nc2ccc3-c4cc(F)ccc4OC(c4ccc(Cl)cc4)c3c12 |t:1|
Show InChI InChI=1S/C25H21ClFNO/c1-14-13-25(2,3)28-20-10-9-18-19-12-17(27)8-11-21(19)29-24(23(18)22(14)20)15-4-6-16(26)7-5-15/h4-13,24,28H,1-3H3
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0.320n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
The binding affinity measured using baculovirus-expressed hPR-A in sf21 cells.


J Med Chem 41: 303-10 (1998)


Article DOI: 10.1021/jm9705770
BindingDB Entry DOI: 10.7270/Q2RV0PC8
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50062432
PNG
(5-(3-Chloro-phenyl)-9-fluoro-2,2,4-trimethyl-2,5-d...)
Show SMILES CC1=CC(C)(C)Nc2ccc3-c4cc(F)ccc4OC(c4cccc(Cl)c4)c3c12 |t:1|
Show InChI InChI=1S/C25H21ClFNO/c1-14-13-25(2,3)28-20-9-8-18-19-12-17(27)7-10-21(19)29-24(23(18)22(14)20)15-5-4-6-16(26)11-15/h4-13,24,28H,1-3H3
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0.320n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
The binding affinity measured using baculovirus-expressed hPR-A in sf21 cells.


J Med Chem 41: 303-10 (1998)


Article DOI: 10.1021/jm9705770
BindingDB Entry DOI: 10.7270/Q2RV0PC8
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50336930
PNG
((S)-N-(1-sec-butyl-3-(4-cyanophenyl)-1H-indol-6-yl...)
Show SMILES CC[C@H](C)n1cc(-c2ccc(cc2)C#N)c2ccc(NS(C)(=O)=O)cc12 |r|
Show InChI InChI=1S/C20H21N3O2S/c1-4-14(2)23-13-19(16-7-5-15(12-21)6-8-16)18-10-9-17(11-20(18)23)22-26(3,24)25/h5-11,13-14,22H,4H2,1-3H3/t14-/m0/s1
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0.320n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]methyltrienolone from human progesterone receptor expressed in HEK293 cells


ACS Med Chem Lett 2: 148-153 (2011)


Article DOI: 10.1021/ml100220b
BindingDB Entry DOI: 10.7270/Q2Z038G1
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50062432
PNG
(5-(3-Chloro-phenyl)-9-fluoro-2,2,4-trimethyl-2,5-d...)
Show SMILES CC1=CC(C)(C)Nc2ccc3-c4cc(F)ccc4OC(c4cccc(Cl)c4)c3c12 |t:1|
Show InChI InChI=1S/C25H21ClFNO/c1-14-13-25(2,3)28-20-9-8-18-19-12-17(27)7-10-21(19)29-24(23(18)22(14)20)15-5-4-6-16(26)11-15/h4-13,24,28H,1-3H3
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0.320n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against baculovirus expressed Progesterone receptor


J Med Chem 42: 1466-72 (1999)


Article DOI: 10.1021/jm980723h
BindingDB Entry DOI: 10.7270/Q2NK3FQ9
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
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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0.339n/an/an/an/an/an/an/an/a



Scientific Computing Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]progesterone from Progesterone receptor


J Med Chem 49: 4261-8 (2006)


Article DOI: 10.1021/jm060234e
BindingDB Entry DOI: 10.7270/Q2V69NB6
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50129152
PNG
((6S,8S,10R,14S,15S)-17-Acetyl-6,10-dimethyl-13-(R)...)
Show SMILES C[C@H]1CC2[C@@H]3CC[C@](CC(C)=O)(C(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12 |t:28|
Show InChI InChI=1S/C25H36O3/c1-15-12-19-20(23(4)9-6-18(28)13-22(15)23)7-10-24(5)21(19)8-11-25(24,17(3)27)14-16(2)26/h13,15,19-21H,6-12,14H2,1-5H3/t15-,19?,20-,21-,23+,24-,25-/m0/s1
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0.340n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human progesterone receptor


Bioorg Med Chem Lett 13: 2071-4 (2003)


BindingDB Entry DOI: 10.7270/Q2SX6DSM
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
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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0.340n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
The binding affinity of the compound was determined on Human progesterone receptor (hPR-A) using progesterone as radioligand.


J Med Chem 41: 291-302 (1998)


Article DOI: 10.1021/jm9705768
BindingDB Entry DOI: 10.7270/Q29W0DMD
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
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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0.340n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against baculovirus expressed Progesterone receptor


J Med Chem 42: 1466-72 (1999)


Article DOI: 10.1021/jm980723h
BindingDB Entry DOI: 10.7270/Q2NK3FQ9
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50062444
PNG
(9-Chloro-5-(3-fluoro-phenyl)-2,2,4-trimethyl-2,5-d...)
Show SMILES CC1=CC(C)(C)Nc2ccc3-c4cc(Cl)ccc4OC(c4cccc(F)c4)c3c12 |t:1|
Show InChI InChI=1S/C25H21ClFNO/c1-14-13-25(2,3)28-20-9-8-18-19-12-16(26)7-10-21(19)29-24(23(18)22(14)20)15-5-4-6-17(27)11-15/h4-13,24,28H,1-3H3
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0.340n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
The binding affinity measured using baculovirus-expressed hPR-A in sf21 cells.


J Med Chem 41: 303-10 (1998)


Article DOI: 10.1021/jm9705770
BindingDB Entry DOI: 10.7270/Q2RV0PC8
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
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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0.340n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against human progesterone receptor


J Med Chem 41: 4354-9 (1998)


Article DOI: 10.1021/jm980366a
BindingDB Entry DOI: 10.7270/Q2V40TB5
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
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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0.340n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
The binding affinity measured using baculovirus-expressed hPR-A in sf21 cells.


J Med Chem 41: 303-10 (1998)


Article DOI: 10.1021/jm9705770
BindingDB Entry DOI: 10.7270/Q2RV0PC8
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
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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0.340n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human progesterone receptor A isoform using progesterone as radioligand


J Med Chem 46: 4104-12 (2003)


Article DOI: 10.1021/jm020477g
BindingDB Entry DOI: 10.7270/Q2QZ29C6
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
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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0.340n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity was determined against hPR-A (human progesterone receptor) using progesterone radioligand in competitive binding assay


Bioorg Med Chem Lett 8: 3365-70 (1999)


BindingDB Entry DOI: 10.7270/Q2BC402X
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50062427
PNG
(9-Fluoro-2,2,4-trimethyl-5-m-tolyl-2,5-dihydro-1H-...)
Show SMILES CC1=CC(C)(C)Nc2ccc3-c4cc(F)ccc4OC(c4cccc(C)c4)c3c12 |t:1|
Show InChI InChI=1S/C26H24FNO/c1-15-6-5-7-17(12-15)25-24-19(20-13-18(27)8-11-22(20)29-25)9-10-21-23(24)16(2)14-26(3,4)28-21/h5-14,25,28H,1-4H3
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0.370n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
The binding affinity measured using baculovirus-expressed hPR-A in sf21 cells.


J Med Chem 41: 303-10 (1998)


Article DOI: 10.1021/jm9705770
BindingDB Entry DOI: 10.7270/Q2RV0PC8
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50151069
PNG
((4R)-4-[(1S,2S,7R,9R,10R,11S,14R,15R,16S)-5-({[2-(...)
Show SMILES C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)OC(=O)NCCN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:62,69|
Show InChI InChI=1S/C54H74N2O8/c1-7-54(63)23-21-42-39-15-11-33-26-36(57)14-16-38(33)48(39)40(30-52(42,54)4)32-9-12-35(13-10-32)56(6)25-24-55-50(62)64-37-20-22-51(3)34(27-37)28-45(58)49-43-18-17-41(31(2)8-19-47(60)61)53(43,5)46(59)29-44(49)51/h1,9-10,12-13,26,31,34,37,39-46,49,58-59,63H,8,11,14-25,27-30H2,2-6H3,(H,55,62)(H,60,61)/t31-,34+,37?,39+,40-,41-,42+,43+,44+,45-,46+,49+,51+,52+,53-,54+/m1/s1
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0.390n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human progesterone receptor


J Med Chem 47: 4213-30 (2004)


Article DOI: 10.1021/jm0400045
BindingDB Entry DOI: 10.7270/Q22N532T
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50065585
PNG
(5-(4-Chloro-3-methyl-phenyl)-9-fluoro-2,2,4-trimet...)
Show SMILES CC1=CC(C)(C)Nc2ccc3-c4cc(F)ccc4OC(c4ccc(Cl)c(C)c4)c3c12 |t:1,(11.28,-6.52,;12.62,-7.29,;13.95,-8.06,;13.95,-9.6,;13.94,-11.14,;15.28,-8.83,;12.61,-10.37,;11.28,-9.6,;9.94,-10.37,;8.61,-9.57,;8.62,-8.05,;7.29,-7.28,;5.96,-8.06,;4.63,-7.29,;3.29,-8.06,;4.63,-5.74,;5.96,-4.97,;7.29,-5.74,;8.62,-4.95,;9.96,-5.74,;11.3,-4.98,;11.3,-3.44,;12.63,-2.67,;13.96,-3.44,;15.31,-2.68,;13.96,-4.99,;15.29,-5.76,;12.63,-5.75,;9.96,-7.29,;11.28,-8.06,)|
Show InChI InChI=1S/C26H23ClFNO/c1-14-11-16(5-8-20(14)27)25-24-18(19-12-17(28)6-10-22(19)30-25)7-9-21-23(24)15(2)13-26(3,4)29-21/h5-13,25,29H,1-4H3
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0.400n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human progesterone receptor isoform A expressed in CV-1 cells


J Med Chem 41: 2779-85 (1998)


Article DOI: 10.1021/jm980190c
BindingDB Entry DOI: 10.7270/Q2CV4JFM
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50065585
PNG
(5-(4-Chloro-3-methyl-phenyl)-9-fluoro-2,2,4-trimet...)
Show SMILES CC1=CC(C)(C)Nc2ccc3-c4cc(F)ccc4OC(c4ccc(Cl)c(C)c4)c3c12 |t:1,(11.28,-6.52,;12.62,-7.29,;13.95,-8.06,;13.95,-9.6,;13.94,-11.14,;15.28,-8.83,;12.61,-10.37,;11.28,-9.6,;9.94,-10.37,;8.61,-9.57,;8.62,-8.05,;7.29,-7.28,;5.96,-8.06,;4.63,-7.29,;3.29,-8.06,;4.63,-5.74,;5.96,-4.97,;7.29,-5.74,;8.62,-4.95,;9.96,-5.74,;11.3,-4.98,;11.3,-3.44,;12.63,-2.67,;13.96,-3.44,;15.31,-2.68,;13.96,-4.99,;15.29,-5.76,;12.63,-5.75,;9.96,-7.29,;11.28,-8.06,)|
Show InChI InChI=1S/C26H23ClFNO/c1-14-11-16(5-8-20(14)27)25-24-18(19-12-17(28)6-10-22(19)30-25)7-9-21-23(24)15(2)13-26(3,4)29-21/h5-13,25,29H,1-4H3
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0.400n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human progesterone receptor isoform A expressed in CV-1 cells


J Med Chem 41: 2779-85 (1998)


Article DOI: 10.1021/jm980190c
BindingDB Entry DOI: 10.7270/Q2CV4JFM
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50062415
PNG
(5-(4-Chloro-3-fluoro-phenyl)-2,2,4-trimethyl-2,5-d...)
Show SMILES CC1=CC(C)(C)Nc2ccc3-c4ccccc4OC(c4ccc(Cl)c(F)c4)c3c12 |t:1|
Show InChI InChI=1S/C25H21ClFNO/c1-14-13-25(2,3)28-20-11-9-17-16-6-4-5-7-21(16)29-24(23(17)22(14)20)15-8-10-18(26)19(27)12-15/h4-13,24,28H,1-3H3
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0.410n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
The binding affinity of the compound was determined on Human progesterone receptor (hPR-A) using progesterone as radioligand.


J Med Chem 41: 291-302 (1998)


Article DOI: 10.1021/jm9705768
BindingDB Entry DOI: 10.7270/Q29W0DMD
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50133141
PNG
(9-Fluoro-2,2,4-trimethyl-5-[1-(3-methyl-pyridin-2-...)
Show SMILES CC1=CC(C)(C)Nc2ccc3-c4cc(F)ccc4O\C(=C/c4ncccc4C)c3c12 |t:1|
Show InChI InChI=1S/C26H23FN2O/c1-15-6-5-11-28-21(15)13-23-25-18(19-12-17(27)7-10-22(19)30-23)8-9-20-24(25)16(2)14-26(3,4)29-20/h5-14,29H,1-4H3/b23-13-
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0.420n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human progesterone receptor A isoform using progesterone as radioligand


J Med Chem 46: 4104-12 (2003)


Article DOI: 10.1021/jm020477g
BindingDB Entry DOI: 10.7270/Q2QZ29C6
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50062406
PNG
(5-(3-Chloro-phenyl)-2,2,4-trimethyl-2,5-dihydro-1H...)
Show SMILES CC1=CC(C)(C)Nc2ccc3-c4ccccc4OC(c4cccc(Cl)c4)c3c12 |t:1|
Show InChI InChI=1S/C25H22ClNO/c1-15-14-25(2,3)27-20-12-11-19-18-9-4-5-10-21(18)28-24(23(19)22(15)20)16-7-6-8-17(26)13-16/h4-14,24,27H,1-3H3
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0.430n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
The binding affinity of the compound was determined on Human progesterone receptor (hPR-A) using progesterone as radioligand.


J Med Chem 41: 291-302 (1998)


Article DOI: 10.1021/jm9705768
BindingDB Entry DOI: 10.7270/Q29W0DMD
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50072701
PNG
(9-Chloro-2,2,4,5-tetramethyl-2,5-dihydro-1H-6-oxa-...)
Show SMILES CC1Oc2ccc(Cl)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:19|
Show InChI InChI=1S/C20H20ClNO/c1-11-10-20(3,4)22-16-7-6-14-15-9-13(21)5-8-17(15)23-12(2)19(14)18(11)16/h5-10,12,22H,1-4H3
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0.440n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against baculovirus expressed Progesterone receptor


J Med Chem 42: 1466-72 (1999)


Article DOI: 10.1021/jm980723h
BindingDB Entry DOI: 10.7270/Q2NK3FQ9
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50072701
PNG
(9-Chloro-2,2,4,5-tetramethyl-2,5-dihydro-1H-6-oxa-...)
Show SMILES CC1Oc2ccc(Cl)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:19|
Show InChI InChI=1S/C20H20ClNO/c1-11-10-20(3,4)22-16-7-6-14-15-9-13(21)5-8-17(15)23-12(2)19(14)18(11)16/h5-10,12,22H,1-4H3
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0.440n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity was determined against hPR-A (human progesterone receptor) using progesterone radioligand in competitive binding assay


Bioorg Med Chem Lett 8: 3365-70 (1999)


BindingDB Entry DOI: 10.7270/Q2BC402X
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50410188
PNG
(CHEMBL2096708)
Show SMILES C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)OCCOCCN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:62,69|
Show InChI InChI=1S/C55H77NO8/c1-7-55(62)23-21-44-41-15-11-35-28-38(57)14-16-40(35)50(41)42(32-53(44,55)4)34-9-12-37(13-10-34)56(6)24-25-63-26-27-64-39-20-22-52(3)36(29-39)30-47(58)51-45-18-17-43(33(2)8-19-49(60)61)54(45,5)48(59)31-46(51)52/h1,9-10,12-13,28,33,36,39,41-48,51,58-59,62H,8,11,14-27,29-32H2,2-6H3,(H,60,61)/t33-,36+,39+,41+,42-,43-,44+,45+,46+,47-,48+,51+,52+,53+,54-,55+/m1/s1
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0.480n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human progesterone receptor


J Med Chem 47: 4213-30 (2004)


Article DOI: 10.1021/jm0400045
BindingDB Entry DOI: 10.7270/Q22N532T
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50062430
PNG
(9-Chloro-5-(3-chloro-phenyl)-2,2,4-trimethyl-2,5-d...)
Show SMILES CC1=CC(C)(C)Nc2ccc3-c4cc(Cl)ccc4OC(c4cccc(Cl)c4)c3c12 |t:1|
Show InChI InChI=1S/C25H21Cl2NO/c1-14-13-25(2,3)28-20-9-8-18-19-12-17(27)7-10-21(19)29-24(23(18)22(14)20)15-5-4-6-16(26)11-15/h4-13,24,28H,1-3H3
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0.480n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human progesterone receptor isoform A expressed in CV-1 cells


J Med Chem 41: 2779-85 (1998)


Article DOI: 10.1021/jm980190c
BindingDB Entry DOI: 10.7270/Q2CV4JFM
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50062430
PNG
(9-Chloro-5-(3-chloro-phenyl)-2,2,4-trimethyl-2,5-d...)
Show SMILES CC1=CC(C)(C)Nc2ccc3-c4cc(Cl)ccc4OC(c4cccc(Cl)c4)c3c12 |t:1|
Show InChI InChI=1S/C25H21Cl2NO/c1-14-13-25(2,3)28-20-9-8-18-19-12-17(27)7-10-21(19)29-24(23(18)22(14)20)15-5-4-6-16(26)11-15/h4-13,24,28H,1-3H3
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0.480n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
The binding affinity measured using baculovirus-expressed hPR-A in sf21 cells.


J Med Chem 41: 303-10 (1998)


Article DOI: 10.1021/jm9705770
BindingDB Entry DOI: 10.7270/Q2RV0PC8
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50062429
PNG
(5-(4-Chloro-3-methyl-phenyl)-9-fluoro-2,2,4-trimet...)
Show SMILES CC1=CC(C)(C)Nc2ccc3-c4cc(F)ccc4OC(c4ccc(Cl)c(C)c4)c3c12 |t:1,(9.99,-5.01,;11.32,-5.78,;12.66,-6.55,;12.66,-8.1,;12.66,-9.64,;13.99,-7.33,;11.32,-8.86,;9.99,-8.07,;8.64,-8.86,;7.3,-8.07,;7.33,-6.55,;5.97,-5.78,;4.64,-6.55,;3.3,-5.78,;1.97,-6.55,;3.3,-4.23,;4.64,-3.46,;5.99,-4.23,;7.33,-3.44,;8.66,-4.23,;9.99,-3.46,;9.99,-1.93,;11.32,-1.15,;12.68,-1.93,;14.01,-1.17,;12.66,-3.48,;14.01,-4.26,;11.32,-4.24,;8.66,-5.78,;9.99,-6.55,)|
Show InChI InChI=1S/C26H23ClFNO/c1-14-11-16(5-8-20(14)27)25-24-18(19-12-17(28)6-10-22(19)30-25)7-9-21-23(24)15(2)13-26(3,4)29-21/h5-13,25,29H,1-4H3
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0.490n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human progesterone receptor isoform A expressed in CV-1 cells


J Med Chem 41: 2779-85 (1998)


Article DOI: 10.1021/jm980190c
BindingDB Entry DOI: 10.7270/Q2CV4JFM
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50367916
PNG
(METHYLTRIENOLONE | Metribolone | R-1881)
Show SMILES C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@]12C |r,c:16,19,t:9|
Show InChI InChI=1S/C19H24O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h7,9,11,16-17,21H,3-6,8,10H2,1-2H3/t16-,17+,18+,19+/m1/s1
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0.490n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-methyltrienolone from progesterone receptor (unknown origin) expressed in HEK293 cell lysate incubated overnight by microbeta sc...


J Med Chem 59: 750-5 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01168
BindingDB Entry DOI: 10.7270/Q2H70HQ9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Progesterone receptor


(Homo sapiens (Human))
BDBM50062429
PNG
(5-(4-Chloro-3-methyl-phenyl)-9-fluoro-2,2,4-trimet...)
Show SMILES CC1=CC(C)(C)Nc2ccc3-c4cc(F)ccc4OC(c4ccc(Cl)c(C)c4)c3c12 |t:1,(9.99,-5.01,;11.32,-5.78,;12.66,-6.55,;12.66,-8.1,;12.66,-9.64,;13.99,-7.33,;11.32,-8.86,;9.99,-8.07,;8.64,-8.86,;7.3,-8.07,;7.33,-6.55,;5.97,-5.78,;4.64,-6.55,;3.3,-5.78,;1.97,-6.55,;3.3,-4.23,;4.64,-3.46,;5.99,-4.23,;7.33,-3.44,;8.66,-4.23,;9.99,-3.46,;9.99,-1.93,;11.32,-1.15,;12.68,-1.93,;14.01,-1.17,;12.66,-3.48,;14.01,-4.26,;11.32,-4.24,;8.66,-5.78,;9.99,-6.55,)|
Show InChI InChI=1S/C26H23ClFNO/c1-14-11-16(5-8-20(14)27)25-24-18(19-12-17(28)6-10-22(19)30-25)7-9-21-23(24)15(2)13-26(3,4)29-21/h5-13,25,29H,1-4H3
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0.490n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
The binding affinity measured using baculovirus-expressed hPR-A in sf21 cells.


J Med Chem 41: 303-10 (1998)


Article DOI: 10.1021/jm9705770
BindingDB Entry DOI: 10.7270/Q2RV0PC8
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50062439
PNG
(9-Chloro-5-(4-chloro-3-methyl-phenyl)-2,2,4-trimet...)
Show SMILES CC1=CC(C)(C)Nc2ccc3-c4cc(Cl)ccc4OC(c4ccc(Cl)c(C)c4)c3c12 |t:1,(12.82,-5.82,;14.16,-6.59,;15.49,-7.36,;15.49,-8.9,;15.48,-10.44,;16.82,-8.13,;14.15,-9.66,;12.82,-8.89,;11.48,-9.66,;10.15,-8.87,;10.16,-7.35,;8.82,-6.58,;7.49,-7.35,;6.16,-6.58,;4.83,-7.35,;6.16,-5.04,;7.49,-4.27,;8.83,-5.04,;10.16,-4.25,;11.5,-5.04,;12.83,-4.27,;12.83,-2.74,;14.16,-1.97,;15.5,-2.74,;16.85,-1.98,;15.49,-4.29,;16.83,-5.06,;14.16,-5.05,;11.5,-6.58,;12.82,-7.35,)|
Show InChI InChI=1S/C26H23Cl2NO/c1-14-11-16(5-8-20(14)28)25-24-18(19-12-17(27)6-10-22(19)30-25)7-9-21-23(24)15(2)13-26(3,4)29-21/h5-13,25,29H,1-4H3
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0.5n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human progesterone receptor isoform A expressed in CV-1 cells


J Med Chem 41: 2779-85 (1998)


Article DOI: 10.1021/jm980190c
BindingDB Entry DOI: 10.7270/Q2CV4JFM
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50062439
PNG
(9-Chloro-5-(4-chloro-3-methyl-phenyl)-2,2,4-trimet...)
Show SMILES CC1=CC(C)(C)Nc2ccc3-c4cc(Cl)ccc4OC(c4ccc(Cl)c(C)c4)c3c12 |t:1,(12.82,-5.82,;14.16,-6.59,;15.49,-7.36,;15.49,-8.9,;15.48,-10.44,;16.82,-8.13,;14.15,-9.66,;12.82,-8.89,;11.48,-9.66,;10.15,-8.87,;10.16,-7.35,;8.82,-6.58,;7.49,-7.35,;6.16,-6.58,;4.83,-7.35,;6.16,-5.04,;7.49,-4.27,;8.83,-5.04,;10.16,-4.25,;11.5,-5.04,;12.83,-4.27,;12.83,-2.74,;14.16,-1.97,;15.5,-2.74,;16.85,-1.98,;15.49,-4.29,;16.83,-5.06,;14.16,-5.05,;11.5,-6.58,;12.82,-7.35,)|
Show InChI InChI=1S/C26H23Cl2NO/c1-14-11-16(5-8-20(14)28)25-24-18(19-12-17(27)6-10-22(19)30-25)7-9-21-23(24)15(2)13-26(3,4)29-21/h5-13,25,29H,1-4H3
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0.5n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
The binding affinity measured using baculovirus-expressed hPR-A in sf21 cells.


J Med Chem 41: 303-10 (1998)


Article DOI: 10.1021/jm9705770
BindingDB Entry DOI: 10.7270/Q2RV0PC8
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50151059
PNG
(2-[(4R)-4-[(1S,2S,7R,9R,10R,11S,14R,15R,16S)-5-[2-...)
Show SMILES C[C@H](CCC(=O)NCCS(O)(=O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)OCCN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:65,72|
Show InChI InChI=1S/C55H78N2O9S/c1-7-55(62)23-21-44-41-15-11-35-28-38(58)14-16-40(35)50(41)42(32-53(44,55)4)34-9-12-37(13-10-34)57(6)25-26-66-39-20-22-52(3)36(29-39)30-47(59)51-45-18-17-43(54(45,5)48(60)31-46(51)52)33(2)8-19-49(61)56-24-27-67(63,64)65/h1,9-10,12-13,28,33,36,39,41-48,51,59-60,62H,8,11,14-27,29-32H2,2-6H3,(H,56,61)(H,63,64,65)/t33-,36+,39?,41+,42-,43-,44+,45+,46+,47-,48+,51+,52+,53+,54-,55+/m1/s1
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0.530n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human progesterone receptor


J Med Chem 47: 4213-30 (2004)


Article DOI: 10.1021/jm0400045
BindingDB Entry DOI: 10.7270/Q22N532T
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50133131
PNG
(9-Fluoro-2,2,4-trimethyl-5-[1-o-tolyl-meth-(Z)-yli...)
Show SMILES CC1=CC(C)(C)Nc2ccc3-c4cc(F)ccc4O\C(=C/c4ccccc4C)c3c12 |t:1|
Show InChI InChI=1S/C27H24FNO/c1-16-7-5-6-8-18(16)13-24-26-20(21-14-19(28)9-12-23(21)30-24)10-11-22-25(26)17(2)15-27(3,4)29-22/h5-15,29H,1-4H3/b24-13-
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0.550n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human progesterone receptor A isoform using progesterone as radioligand


J Med Chem 46: 4104-12 (2003)


Article DOI: 10.1021/jm020477g
BindingDB Entry DOI: 10.7270/Q2QZ29C6
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50062438
PNG
(9-Chloro-2,2,4-trimethyl-5-m-tolyl-2,5-dihydro-1H-...)
Show SMILES CC1=CC(C)(C)Nc2ccc3-c4cc(Cl)ccc4OC(c4cccc(C)c4)c3c12 |t:1|
Show InChI InChI=1S/C26H24ClNO/c1-15-6-5-7-17(12-15)25-24-19(20-13-18(27)8-11-22(20)29-25)9-10-21-23(24)16(2)14-26(3,4)28-21/h5-14,25,28H,1-4H3
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0.550n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
The binding affinity measured using baculovirus-expressed hPR-A in sf21 cells.


J Med Chem 41: 303-10 (1998)


Article DOI: 10.1021/jm9705770
BindingDB Entry DOI: 10.7270/Q2RV0PC8
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50062409
PNG
(5-(4-Bromo-phenyl)-2,2,4-trimethyl-2,5-dihydro-1H-...)
Show SMILES CC1=CC(C)(C)Nc2ccc3-c4ccccc4OC(c4ccc(Br)cc4)c3c12 |t:1|
Show InChI InChI=1S/C25H22BrNO/c1-15-14-25(2,3)27-20-13-12-19-18-6-4-5-7-21(18)28-24(23(19)22(15)20)16-8-10-17(26)11-9-16/h4-14,24,27H,1-3H3
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0.550n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
The binding affinity of the compound was determined on Human progesterone receptor (hPR-A) using progesterone as radioligand.


J Med Chem 41: 291-302 (1998)


Article DOI: 10.1021/jm9705768
BindingDB Entry DOI: 10.7270/Q29W0DMD
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
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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0.580n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity determined for human Progesterone receptor A isoform


J Med Chem 39: 1778-89 (1996)


Article DOI: 10.1021/jm950747d
BindingDB Entry DOI: 10.7270/Q2416XQ2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Progesterone receptor


(Homo sapiens (Human))
BDBM50062442
PNG
(9-Chloro-5-(4-chloro-phenyl)-2,2,4-trimethyl-2,5-d...)
Show SMILES CC1=CC(C)(C)Nc2ccc3-c4cc(Cl)ccc4OC(c4ccc(Cl)cc4)c3c12 |t:1|
Show InChI InChI=1S/C25H21Cl2NO/c1-14-13-25(2,3)28-20-10-9-18-19-12-17(27)8-11-21(19)29-24(23(18)22(14)20)15-4-6-16(26)7-5-15/h4-13,24,28H,1-3H3
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0.590n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
The binding affinity measured using baculovirus-expressed hPR-A in sf21 cells.


J Med Chem 41: 303-10 (1998)


Article DOI: 10.1021/jm9705770
BindingDB Entry DOI: 10.7270/Q2RV0PC8
More data for this
Ligand-Target Pair
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