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Compile Data Set for Download or QSAR

Found 103 hits Enz. Inhib. hit(s) with all data for entry = 50035112   
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))
BDBM50086537
PNG
(2,2,4-Trimethyl-6-(5-nitro-thiophen-2-yl)-1,2-dihy...)
Show SMILES CC1=CC(C)(C)Nc2ccc(cc12)-c1ccc(s1)[N+]([O-])=O |t:1|
Show InChI InChI=1S/C16H16N2O2S/c1-10-9-16(2,3)17-13-5-4-11(8-12(10)13)14-6-7-15(21-14)18(19)20/h4-9,17H,1-3H3
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2.60n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against human progesterone receptor (hPR) in a competitive binding assay


Bioorg Med Chem Lett 10: 415-8 (2000)


BindingDB Entry DOI: 10.7270/Q2P26ZMF
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM8903
PNG
((1S,2R,10S,11S,14S,15S)-14-acetyl-2,15-dimethyltet...)
Show SMILES [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:20|
Show InChI InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1
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3.5n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Human progesterone receptor (hPR) agonist activity in T47D human breast cancer cell line


Bioorg Med Chem Lett 10: 415-8 (2000)


BindingDB Entry DOI: 10.7270/Q2P26ZMF
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50086546
PNG
(4-(2,2,4-Trimethyl-1,2-dihydro-quinolin-6-yl)-thio...)
Show SMILES CC1=CC(C)(C)Nc2ccc(cc12)-c1csc(c1)C#N |t:1|
Show InChI InChI=1S/C17H16N2S/c1-11-8-17(2,3)19-16-5-4-12(7-15(11)16)13-6-14(9-18)20-10-13/h4-8,10,19H,1-3H3
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3.5n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against human progesterone receptor (hPR) in T47D human breast cancer cell line


Bioorg Med Chem Lett 10: 415-8 (2000)


BindingDB Entry DOI: 10.7270/Q2P26ZMF
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50086550
PNG
(4-Methyl-5-(2,2,4,4-tetramethyl-3-oxo-1,2,3,4-tetr...)
Show SMILES Cc1cc(sc1-c1ccc2NC(C)(C)C(=O)C(C)(C)c2c1)C#N
Show InChI InChI=1S/C19H20N2OS/c1-11-8-13(10-20)23-16(11)12-6-7-15-14(9-12)18(2,3)17(22)19(4,5)21-15/h6-9,21H,1-5H3
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3.90n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against human progesterone receptor (hPR) in a competitive binding assay


Bioorg Med Chem Lett 10: 415-8 (2000)


BindingDB Entry DOI: 10.7270/Q2P26ZMF
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50086551
PNG
(4-Methyl-5-(2,2,4-trimethyl-1,2,3,4-tetrahydro-qui...)
Show SMILES CC1CC(C)(C)Nc2ccc(cc12)-c1sc(cc1C)C#N
Show InChI InChI=1S/C18H20N2S/c1-11-7-14(10-19)21-17(11)13-5-6-16-15(8-13)12(2)9-18(3,4)20-16/h5-8,12,20H,9H2,1-4H3
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6.20n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against human progesterone receptor (hPR) in a competitive binding assay


Bioorg Med Chem Lett 10: 415-8 (2000)


BindingDB Entry DOI: 10.7270/Q2P26ZMF
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50066526
PNG
(3-Fluoro-5-(2,2,4-trimethyl-1,2-dihydro-quinolin-6...)
Show SMILES CC1=CC(C)(C)Nc2ccc(cc12)-c1cc(F)cc(c1)C#N |t:1|
Show InChI InChI=1S/C19H17FN2/c1-12-10-19(2,3)22-18-5-4-14(9-17(12)18)15-6-13(11-21)7-16(20)8-15/h4-10,22H,1-3H3
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10n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against human progesterone receptor (hPR) in a competitive binding assay


Bioorg Med Chem Lett 10: 415-8 (2000)


BindingDB Entry DOI: 10.7270/Q2P26ZMF
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50086540
PNG
(6-(5-Chloro-thiophen-2-yl)-2,2,4-trimethyl-1,2-dih...)
Show SMILES CC1=CC(C)(C)Nc2ccc(cc12)-c1ccc(Cl)s1 |t:1|
Show InChI InChI=1S/C16H16ClNS/c1-10-9-16(2,3)18-13-5-4-11(8-12(10)13)14-6-7-15(17)19-14/h4-9,18H,1-3H3
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12n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Human progesterone receptor (hPR) agonist activity in T47D human breast cancer cell line


Bioorg Med Chem Lett 10: 415-8 (2000)


BindingDB Entry DOI: 10.7270/Q2P26ZMF
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50086542
PNG
(4-(2,2,4,4-Tetramethyl-3-oxo-1,2,3,4-tetrahydro-qu...)
Show SMILES CC1(C)Nc2ccc(cc2C(C)(C)C1=O)-c1csc(c1)C#N
Show InChI InChI=1S/C18H18N2OS/c1-17(2)14-8-11(12-7-13(9-19)22-10-12)5-6-15(14)20-18(3,4)16(17)21/h5-8,10,20H,1-4H3
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12n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against human progesterone receptor (hPR) in a competitive binding assay


Bioorg Med Chem Lett 10: 415-8 (2000)


BindingDB Entry DOI: 10.7270/Q2P26ZMF
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50366558
PNG
(ONAPRISTONE | ZK-98299)
Show SMILES CN(C)c1ccc(cc1)[C@H]1C[C@]2(C)[C@@H](CC[C@]2(O)CCCO)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:27,34|
Show InChI InChI=1S/C29H39NO3/c1-28-18-25(19-5-8-21(9-6-19)30(2)3)27-23-12-10-22(32)17-20(23)7-11-24(27)26(28)13-15-29(28,33)14-4-16-31/h5-6,8-9,17,24-26,31,33H,4,7,10-16,18H2,1-3H3/t24-,25+,26-,28+,29+/m0/s1
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18n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against human progesterone receptor (hPR) using cotransfection assay in CV-1 cells


Bioorg Med Chem Lett 10: 415-8 (2000)


BindingDB Entry DOI: 10.7270/Q2P26ZMF
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50086536
PNG
(2,2,4-Trimethyl-6-(3-methyl-thiophen-2-yl)-1,2-dih...)
Show SMILES Cc1ccsc1-c1ccc2NC(C)(C)C=C(C)c2c1 |t:15|
Show InChI InChI=1S/C17H19NS/c1-11-7-8-19-16(11)13-5-6-15-14(9-13)12(2)10-17(3,4)18-15/h5-10,18H,1-4H3
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25n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against human progesterone receptor (hPR) in a competitive binding assay


Bioorg Med Chem Lett 10: 415-8 (2000)


BindingDB Entry DOI: 10.7270/Q2P26ZMF
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50086539
PNG
(4-Methyl-5-(2,2,4-trimethyl-1,2-dihydro-quinolin-6...)
Show SMILES Cc1cc(sc1-c1ccc2NC(C)(C)C=C(C)c2c1)C#N |t:15|
Show InChI InChI=1S/C18H18N2S/c1-11-7-14(10-19)21-17(11)13-5-6-16-15(8-13)12(2)9-18(3,4)20-16/h5-9,20H,1-4H3
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26n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against human progesterone receptor (hPR) in a competitive binding assay


Bioorg Med Chem Lett 10: 415-8 (2000)


BindingDB Entry DOI: 10.7270/Q2P26ZMF
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50086552
PNG
(6-(5-Bromo-thiophen-2-yl)-2,2,4-trimethyl-1,2-dihy...)
Show SMILES CC1=CC(C)(C)Nc2ccc(cc12)-c1ccc(Br)s1 |t:1|
Show InChI InChI=1S/C16H16BrNS/c1-10-9-16(2,3)18-13-5-4-11(8-12(10)13)14-6-7-15(17)19-14/h4-9,18H,1-3H3
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31n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Human progesterone receptor (hPR) agonist activity in T47D human breast cancer cell line


Bioorg Med Chem Lett 10: 415-8 (2000)


BindingDB Entry DOI: 10.7270/Q2P26ZMF
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50086554
PNG
(5-Methyl-4-(2,2,4-trimethyl-1,2-dihydro-quinolin-6...)
Show SMILES Cc1sc(cc1-c1ccc2NC(C)(C)C=C(C)c2c1)C#N |t:15|
Show InChI InChI=1S/C18H18N2S/c1-11-9-18(3,4)20-17-6-5-13(7-15(11)17)16-8-14(10-19)21-12(16)2/h5-9,20H,1-4H3
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31n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against human progesterone receptor (hPR) in T47D human breast cancer cell line


Bioorg Med Chem Lett 10: 415-8 (2000)


BindingDB Entry DOI: 10.7270/Q2P26ZMF
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50086553
PNG
(6-(4-Bromo-thiophen-2-yl)-2,2,4-trimethyl-1,2-dihy...)
Show SMILES CC1=CC(C)(C)Nc2ccc(cc12)-c1cc(Br)cs1 |t:1|
Show InChI InChI=1S/C16H16BrNS/c1-10-8-16(2,3)18-14-5-4-11(6-13(10)14)15-7-12(17)9-19-15/h4-9,18H,1-3H3
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32n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against human progesterone receptor (hPR) in a competitive binding assay


Bioorg Med Chem Lett 10: 415-8 (2000)


BindingDB Entry DOI: 10.7270/Q2P26ZMF
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50086548
PNG
(3,5-Dimethyl-4-(2,2,4-trimethyl-1,2-dihydro-quinol...)
Show SMILES Cc1sc(C#N)c(C)c1-c1ccc2NC(C)(C)C=C(C)c2c1 |t:18|
Show InChI InChI=1S/C19H20N2S/c1-11-9-19(4,5)21-16-7-6-14(8-15(11)16)18-12(2)17(10-20)22-13(18)3/h6-9,21H,1-5H3
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36n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against human progesterone receptor (hPR) in T47D human breast cancer cell line


Bioorg Med Chem Lett 10: 415-8 (2000)


BindingDB Entry DOI: 10.7270/Q2P26ZMF
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50086538
PNG
(4-(2,2,4-Trimethyl-1,2-dihydro-quinolin-6-yl)-thio...)
Show SMILES CC1=CC(C)(C)Nc2ccc(cc12)-c1csc(C=O)c1 |t:1|
Show InChI InChI=1S/C17H17NOS/c1-11-8-17(2,3)18-16-5-4-12(7-15(11)16)13-6-14(9-19)20-10-13/h4-10,18H,1-3H3
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37n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against human progesterone receptor (hPR) in a competitive binding assay


Bioorg Med Chem Lett 10: 415-8 (2000)


BindingDB Entry DOI: 10.7270/Q2P26ZMF
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50086544
PNG
(5-(2,2,4-Trimethyl-1,2-dihydro-quinolin-6-yl)-thio...)
Show SMILES CC1=CC(C)(C)Nc2ccc(cc12)-c1ccc(s1)C#N |t:1|
Show InChI InChI=1S/C17H16N2S/c1-11-9-17(2,3)19-15-6-4-12(8-14(11)15)16-7-5-13(10-18)20-16/h4-9,19H,1-3H3
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55n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Human progesterone receptor (hPR) agonist activity in T47D human breast cancer cell line


Bioorg Med Chem Lett 10: 415-8 (2000)


BindingDB Entry DOI: 10.7270/Q2P26ZMF
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50086543
PNG
(5-(2,2,4-Trimethyl-1,2-dihydro-quinolin-6-yl)-thio...)
Show SMILES CC1=CC(C)(C)Nc2ccc(cc12)-c1ccc(C=O)s1 |t:1|
Show InChI InChI=1S/C17H17NOS/c1-11-9-17(2,3)18-15-6-4-12(8-14(11)15)16-7-5-13(10-19)20-16/h4-10,18H,1-3H3
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80n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against human progesterone receptor (hPR) in a competitive binding assay


Bioorg Med Chem Lett 10: 415-8 (2000)


BindingDB Entry DOI: 10.7270/Q2P26ZMF
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50086541
PNG
(3-(2,2,4-Trimethyl-1,2-dihydro-quinolin-6-yl)-thio...)
Show SMILES CC1=CC(C)(C)Nc2ccc(cc12)-c1ccsc1C#N |t:1|
Show InChI InChI=1S/C17H16N2S/c1-11-9-17(2,3)19-15-5-4-12(8-14(11)15)13-6-7-20-16(13)10-18/h4-9,19H,1-3H3
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>100n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against human progesterone receptor (hPR) in T47D human breast cancer cell line


Bioorg Med Chem Lett 10: 415-8 (2000)


BindingDB Entry DOI: 10.7270/Q2P26ZMF
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50086545
PNG
(2,2,4-Trimethyl-6-thiophen-2-yl-1,2-dihydro-quinol...)
Show SMILES CC1=CC(C)(C)Nc2ccc(cc12)-c1cccs1 |t:1|
Show InChI InChI=1S/C16H17NS/c1-11-10-16(2,3)17-14-7-6-12(9-13(11)14)15-5-4-8-18-15/h4-10,17H,1-3H3
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237n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against human progesterone receptor (hPR) in a competitive binding assay


Bioorg Med Chem Lett 10: 415-8 (2000)


BindingDB Entry DOI: 10.7270/Q2P26ZMF
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50086549
PNG
(3-Bromo-5-(2,2,4-trimethyl-1,2-dihydro-quinolin-6-...)
Show SMILES CC1=CC(C)(C)Nc2ccc(cc12)-c1cc(Br)c(s1)C#N |t:1|
Show InChI InChI=1S/C17H15BrN2S/c1-10-8-17(2,3)20-14-5-4-11(6-12(10)14)15-7-13(18)16(9-19)21-15/h4-8,20H,1-3H3
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249n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against human progesterone receptor (hPR) in a competitive binding assay


Bioorg Med Chem Lett 10: 415-8 (2000)


BindingDB Entry DOI: 10.7270/Q2P26ZMF
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50086547
PNG
(4-Bromo-5-(2,2,4-trimethyl-1,2-dihydro-quinolin-6-...)
Show SMILES CC1=CC(C)(C)Nc2ccc(cc12)-c1sc(cc1Br)C#N |t:1|
Show InChI InChI=1S/C17H15BrN2S/c1-10-8-17(2,3)20-15-5-4-11(6-13(10)15)16-14(18)7-12(9-19)21-16/h4-8,20H,1-3H3
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433n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against human progesterone receptor (hPR) in a competitive binding assay


Bioorg Med Chem Lett 10: 415-8 (2000)


BindingDB Entry DOI: 10.7270/Q2P26ZMF
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50366558
PNG
(ONAPRISTONE | ZK-98299)
Show SMILES CN(C)c1ccc(cc1)[C@H]1C[C@]2(C)[C@@H](CC[C@]2(O)CCCO)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:27,34|
Show InChI InChI=1S/C29H39NO3/c1-28-18-25(19-5-8-21(9-6-19)30(2)3)27-23-12-10-22(32)17-20(23)7-11-24(27)26(28)13-15-29(28,33)14-4-16-31/h5-6,8-9,17,24-26,31,33H,4,7,10-16,18H2,1-3H3/t24-,25+,26-,28+,29+/m0/s1
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n/an/a 2.20n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against human progesterone receptor (hPR) using cotransfection assay in CV-1 cells


Bioorg Med Chem Lett 10: 415-8 (2000)


BindingDB Entry DOI: 10.7270/Q2P26ZMF
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50366558
PNG
(ONAPRISTONE | ZK-98299)
Show SMILES CN(C)c1ccc(cc1)[C@H]1C[C@]2(C)[C@@H](CC[C@]2(O)CCCO)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:27,34|
Show InChI InChI=1S/C29H39NO3/c1-28-18-25(19-5-8-21(9-6-19)30(2)3)27-23-12-10-22(32)17-20(23)7-11-24(27)26(28)13-15-29(28,33)14-4-16-31/h5-6,8-9,17,24-26,31,33H,4,7,10-16,18H2,1-3H3/t24-,25+,26-,28+,29+/m0/s1
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n/an/a 3.30n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against human progesterone receptor (hPR) in a competitive binding assay


Bioorg Med Chem Lett 10: 415-8 (2000)


BindingDB Entry DOI: 10.7270/Q2P26ZMF
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50086550
PNG
(4-Methyl-5-(2,2,4,4-tetramethyl-3-oxo-1,2,3,4-tetr...)
Show SMILES Cc1cc(sc1-c1ccc2NC(C)(C)C(=O)C(C)(C)c2c1)C#N
Show InChI InChI=1S/C19H20N2OS/c1-11-8-13(10-20)23-16(11)12-6-7-15-14(9-12)18(2,3)17(22)19(4,5)21-15/h6-9,21H,1-5H3
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n/an/a 10n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against human progesterone receptor (hPR) in a competitive binding assay


Bioorg Med Chem Lett 10: 415-8 (2000)


BindingDB Entry DOI: 10.7270/Q2P26ZMF
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50086542
PNG
(4-(2,2,4,4-Tetramethyl-3-oxo-1,2,3,4-tetrahydro-qu...)
Show SMILES CC1(C)Nc2ccc(cc2C(C)(C)C1=O)-c1csc(c1)C#N
Show InChI InChI=1S/C18H18N2OS/c1-17(2)14-8-11(12-7-13(9-19)22-10-12)5-6-15(14)20-18(3,4)16(17)21/h5-8,10,20H,1-4H3
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n/an/a 14n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against human progesterone receptor (hPR) in a competitive binding assay


Bioorg Med Chem Lett 10: 415-8 (2000)


BindingDB Entry DOI: 10.7270/Q2P26ZMF
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50086546
PNG
(4-(2,2,4-Trimethyl-1,2-dihydro-quinolin-6-yl)-thio...)
Show SMILES CC1=CC(C)(C)Nc2ccc(cc12)-c1csc(c1)C#N |t:1|
Show InChI InChI=1S/C17H16N2S/c1-11-8-17(2,3)19-16-5-4-12(7-15(11)16)13-6-14(9-18)20-10-13/h4-8,10,19H,1-3H3
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n/an/a 24n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against human progesterone receptor (hPR) using cotransfection assay in CV-1 cells


Bioorg Med Chem Lett 10: 415-8 (2000)


BindingDB Entry DOI: 10.7270/Q2P26ZMF
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50366558
PNG
(ONAPRISTONE | ZK-98299)
Show SMILES CN(C)c1ccc(cc1)[C@H]1C[C@]2(C)[C@@H](CC[C@]2(O)CCCO)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:27,34|
Show InChI InChI=1S/C29H39NO3/c1-28-18-25(19-5-8-21(9-6-19)30(2)3)27-23-12-10-22(32)17-20(23)7-11-24(27)26(28)13-15-29(28,33)14-4-16-31/h5-6,8-9,17,24-26,31,33H,4,7,10-16,18H2,1-3H3/t24-,25+,26-,28+,29+/m0/s1
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n/an/a 27n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Cross-reactivity as binding to human glucocorticoid receptor (hGR)


Bioorg Med Chem Lett 10: 415-8 (2000)


BindingDB Entry DOI: 10.7270/Q2P26ZMF
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50086544
PNG
(5-(2,2,4-Trimethyl-1,2-dihydro-quinolin-6-yl)-thio...)
Show SMILES CC1=CC(C)(C)Nc2ccc(cc12)-c1ccc(s1)C#N |t:1|
Show InChI InChI=1S/C17H16N2S/c1-11-9-17(2,3)19-15-6-4-12(8-14(11)15)16-7-5-13(10-18)20-16/h4-9,19H,1-3H3
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n/an/a 27n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against human progesterone receptor (hPR) in a competitive binding assay


Bioorg Med Chem Lett 10: 415-8 (2000)


BindingDB Entry DOI: 10.7270/Q2P26ZMF
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50066526
PNG
(3-Fluoro-5-(2,2,4-trimethyl-1,2-dihydro-quinolin-6...)
Show SMILES CC1=CC(C)(C)Nc2ccc(cc12)-c1cc(F)cc(c1)C#N |t:1|
Show InChI InChI=1S/C19H17FN2/c1-12-10-19(2,3)22-18-5-4-14(9-17(12)18)15-6-13(11-21)7-16(20)8-15/h4-10,22H,1-3H3
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n/an/a 30n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Human progesterone receptor (hPR) agonist activity in T47D human breast cancer cell line


Bioorg Med Chem Lett 10: 415-8 (2000)


BindingDB Entry DOI: 10.7270/Q2P26ZMF
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50086537
PNG
(2,2,4-Trimethyl-6-(5-nitro-thiophen-2-yl)-1,2-dihy...)
Show SMILES CC1=CC(C)(C)Nc2ccc(cc12)-c1ccc(s1)[N+]([O-])=O |t:1|
Show InChI InChI=1S/C16H16N2O2S/c1-10-9-16(2,3)17-13-5-4-11(8-12(10)13)14-6-7-15(21-14)18(19)20/h4-9,17H,1-3H3
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n/an/a 31n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against human progesterone receptor (hPR) in a competitive binding assay


Bioorg Med Chem Lett 10: 415-8 (2000)


BindingDB Entry DOI: 10.7270/Q2P26ZMF
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50086551
PNG
(4-Methyl-5-(2,2,4-trimethyl-1,2,3,4-tetrahydro-qui...)
Show SMILES CC1CC(C)(C)Nc2ccc(cc12)-c1sc(cc1C)C#N
Show InChI InChI=1S/C18H20N2S/c1-11-7-14(10-19)21-17(11)13-5-6-16-15(8-13)12(2)9-18(3,4)20-16/h5-8,12,20H,9H2,1-4H3
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n/an/a 31n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against human progesterone receptor (hPR) in a competitive binding assay


Bioorg Med Chem Lett 10: 415-8 (2000)


BindingDB Entry DOI: 10.7270/Q2P26ZMF
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50086539
PNG
(4-Methyl-5-(2,2,4-trimethyl-1,2-dihydro-quinolin-6...)
Show SMILES Cc1cc(sc1-c1ccc2NC(C)(C)C=C(C)c2c1)C#N |t:15|
Show InChI InChI=1S/C18H18N2S/c1-11-7-14(10-19)21-17(11)13-5-6-16-15(8-13)12(2)9-18(3,4)20-16/h5-9,20H,1-4H3
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n/an/a 33n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against human progesterone receptor (hPR) in a competitive binding assay


Bioorg Med Chem Lett 10: 415-8 (2000)


BindingDB Entry DOI: 10.7270/Q2P26ZMF
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50086550
PNG
(4-Methyl-5-(2,2,4,4-tetramethyl-3-oxo-1,2,3,4-tetr...)
Show SMILES Cc1cc(sc1-c1ccc2NC(C)(C)C(=O)C(C)(C)c2c1)C#N
Show InChI InChI=1S/C19H20N2OS/c1-11-8-13(10-20)23-16(11)12-6-7-15-14(9-12)18(2,3)17(22)19(4,5)21-15/h6-9,21H,1-5H3
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n/an/a 35n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Cross-reactivity as binding to human glucocorticoid receptor (hGR)


Bioorg Med Chem Lett 10: 415-8 (2000)


BindingDB Entry DOI: 10.7270/Q2P26ZMF
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50066526
PNG
(3-Fluoro-5-(2,2,4-trimethyl-1,2-dihydro-quinolin-6...)
Show SMILES CC1=CC(C)(C)Nc2ccc(cc12)-c1cc(F)cc(c1)C#N |t:1|
Show InChI InChI=1S/C19H17FN2/c1-12-10-19(2,3)22-18-5-4-14(9-17(12)18)15-6-13(11-21)7-16(20)8-15/h4-10,22H,1-3H3
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n/an/a 37n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against human progesterone receptor (hPR) in T47D human breast cancer cell line


Bioorg Med Chem Lett 10: 415-8 (2000)


BindingDB Entry DOI: 10.7270/Q2P26ZMF
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50086540
PNG
(6-(5-Chloro-thiophen-2-yl)-2,2,4-trimethyl-1,2-dih...)
Show SMILES CC1=CC(C)(C)Nc2ccc(cc12)-c1ccc(Cl)s1 |t:1|
Show InChI InChI=1S/C16H16ClNS/c1-10-9-16(2,3)18-13-5-4-11(8-12(10)13)14-6-7-15(17)19-14/h4-9,18H,1-3H3
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n/an/a 43n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against human progesterone receptor (hPR) using cotransfection assay in CV-1 cells


Bioorg Med Chem Lett 10: 415-8 (2000)


BindingDB Entry DOI: 10.7270/Q2P26ZMF
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50086551
PNG
(4-Methyl-5-(2,2,4-trimethyl-1,2,3,4-tetrahydro-qui...)
Show SMILES CC1CC(C)(C)Nc2ccc(cc12)-c1sc(cc1C)C#N
Show InChI InChI=1S/C18H20N2S/c1-11-7-14(10-19)21-17(11)13-5-6-16-15(8-13)12(2)9-18(3,4)20-16/h5-8,12,20H,9H2,1-4H3
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n/an/a 45n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Cross-reactivity as binding to human androgen receptor (hAR)


Bioorg Med Chem Lett 10: 415-8 (2000)


BindingDB Entry DOI: 10.7270/Q2P26ZMF
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50086547
PNG
(4-Bromo-5-(2,2,4-trimethyl-1,2-dihydro-quinolin-6-...)
Show SMILES CC1=CC(C)(C)Nc2ccc(cc12)-c1sc(cc1Br)C#N |t:1|
Show InChI InChI=1S/C17H15BrN2S/c1-10-8-17(2,3)20-15-5-4-11(6-13(10)15)16-14(18)7-12(9-19)21-16/h4-8,20H,1-3H3
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n/an/a 52n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Human progesterone receptor (hPR) agonist activity expressed in CV-1 cells


Bioorg Med Chem Lett 10: 415-8 (2000)


BindingDB Entry DOI: 10.7270/Q2P26ZMF
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50086552
PNG
(6-(5-Bromo-thiophen-2-yl)-2,2,4-trimethyl-1,2-dihy...)
Show SMILES CC1=CC(C)(C)Nc2ccc(cc12)-c1ccc(Br)s1 |t:1|
Show InChI InChI=1S/C16H16BrNS/c1-10-9-16(2,3)18-13-5-4-11(8-12(10)13)14-6-7-15(17)19-14/h4-9,18H,1-3H3
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n/an/a 65n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against human progesterone receptor (hPR) using cotransfection assay in CV-1 cells


Bioorg Med Chem Lett 10: 415-8 (2000)


BindingDB Entry DOI: 10.7270/Q2P26ZMF
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50086537
PNG
(2,2,4-Trimethyl-6-(5-nitro-thiophen-2-yl)-1,2-dihy...)
Show SMILES CC1=CC(C)(C)Nc2ccc(cc12)-c1ccc(s1)[N+]([O-])=O |t:1|
Show InChI InChI=1S/C16H16N2O2S/c1-10-9-16(2,3)17-13-5-4-11(8-12(10)13)14-6-7-15(21-14)18(19)20/h4-9,17H,1-3H3
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n/an/a 70n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against human progesterone receptor (hPR) in T47D human breast cancer cell line


Bioorg Med Chem Lett 10: 415-8 (2000)


BindingDB Entry DOI: 10.7270/Q2P26ZMF
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50086552
PNG
(6-(5-Bromo-thiophen-2-yl)-2,2,4-trimethyl-1,2-dihy...)
Show SMILES CC1=CC(C)(C)Nc2ccc(cc12)-c1ccc(Br)s1 |t:1|
Show InChI InChI=1S/C16H16BrNS/c1-10-9-16(2,3)18-13-5-4-11(8-12(10)13)14-6-7-15(17)19-14/h4-9,18H,1-3H3
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n/an/a 71n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against human progesterone receptor (hPR) in a competitive binding assay


Bioorg Med Chem Lett 10: 415-8 (2000)


BindingDB Entry DOI: 10.7270/Q2P26ZMF
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50086543
PNG
(5-(2,2,4-Trimethyl-1,2-dihydro-quinolin-6-yl)-thio...)
Show SMILES CC1=CC(C)(C)Nc2ccc(cc12)-c1ccc(C=O)s1 |t:1|
Show InChI InChI=1S/C17H17NOS/c1-11-9-17(2,3)18-15-6-4-12(8-14(11)15)16-7-5-13(10-19)20-16/h4-10,18H,1-3H3
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n/an/a 78n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against human progesterone receptor (hPR) in a competitive binding assay


Bioorg Med Chem Lett 10: 415-8 (2000)


BindingDB Entry DOI: 10.7270/Q2P26ZMF
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50086544
PNG
(5-(2,2,4-Trimethyl-1,2-dihydro-quinolin-6-yl)-thio...)
Show SMILES CC1=CC(C)(C)Nc2ccc(cc12)-c1ccc(s1)C#N |t:1|
Show InChI InChI=1S/C17H16N2S/c1-11-9-17(2,3)19-15-6-4-12(8-14(11)15)16-7-5-13(10-18)20-16/h4-9,19H,1-3H3
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n/an/a 80n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against human progesterone receptor (hPR) in T47D human breast cancer cell line


Bioorg Med Chem Lett 10: 415-8 (2000)


BindingDB Entry DOI: 10.7270/Q2P26ZMF
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50086538
PNG
(4-(2,2,4-Trimethyl-1,2-dihydro-quinolin-6-yl)-thio...)
Show SMILES CC1=CC(C)(C)Nc2ccc(cc12)-c1csc(C=O)c1 |t:1|
Show InChI InChI=1S/C17H17NOS/c1-11-8-17(2,3)18-16-5-4-12(7-15(11)16)13-6-14(9-19)20-10-13/h4-10,18H,1-3H3
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n/an/a 102n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against human progesterone receptor (hPR) in T47D human breast cancer cell line


Bioorg Med Chem Lett 10: 415-8 (2000)


BindingDB Entry DOI: 10.7270/Q2P26ZMF
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50086553
PNG
(6-(4-Bromo-thiophen-2-yl)-2,2,4-trimethyl-1,2-dihy...)
Show SMILES CC1=CC(C)(C)Nc2ccc(cc12)-c1cc(Br)cs1 |t:1|
Show InChI InChI=1S/C16H16BrNS/c1-10-8-16(2,3)18-14-5-4-11(6-13(10)14)15-7-12(17)9-19-15/h4-9,18H,1-3H3
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n/an/a 105n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against human progesterone receptor (hPR) using cotransfection assay in CV-1 cells


Bioorg Med Chem Lett 10: 415-8 (2000)


BindingDB Entry DOI: 10.7270/Q2P26ZMF
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50086536
PNG
(2,2,4-Trimethyl-6-(3-methyl-thiophen-2-yl)-1,2-dih...)
Show SMILES Cc1ccsc1-c1ccc2NC(C)(C)C=C(C)c2c1 |t:15|
Show InChI InChI=1S/C17H19NS/c1-11-7-8-19-16(11)13-5-6-15-14(9-13)12(2)10-17(3,4)18-15/h5-10,18H,1-4H3
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n/an/a 105n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Human progesterone receptor (hPR) agonist activity expressed in CV-1 cells


Bioorg Med Chem Lett 10: 415-8 (2000)


BindingDB Entry DOI: 10.7270/Q2P26ZMF
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50086546
PNG
(4-(2,2,4-Trimethyl-1,2-dihydro-quinolin-6-yl)-thio...)
Show SMILES CC1=CC(C)(C)Nc2ccc(cc12)-c1csc(c1)C#N |t:1|
Show InChI InChI=1S/C17H16N2S/c1-11-8-17(2,3)19-16-5-4-12(7-15(11)16)13-6-14(9-18)20-10-13/h4-8,10,19H,1-3H3
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n/an/a 106n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against human progesterone receptor (hPR) in a competitive binding assay


Bioorg Med Chem Lett 10: 415-8 (2000)


BindingDB Entry DOI: 10.7270/Q2P26ZMF
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50086554
PNG
(5-Methyl-4-(2,2,4-trimethyl-1,2-dihydro-quinolin-6...)
Show SMILES Cc1sc(cc1-c1ccc2NC(C)(C)C=C(C)c2c1)C#N |t:15|
Show InChI InChI=1S/C18H18N2S/c1-11-9-18(3,4)20-17-6-5-13(7-15(11)17)16-8-14(10-19)21-12(16)2/h5-9,20H,1-4H3
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n/an/a 109n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against human progesterone receptor (hPR) using cotransfection assay in CV-1 cells


Bioorg Med Chem Lett 10: 415-8 (2000)


BindingDB Entry DOI: 10.7270/Q2P26ZMF
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50086551
PNG
(4-Methyl-5-(2,2,4-trimethyl-1,2,3,4-tetrahydro-qui...)
Show SMILES CC1CC(C)(C)Nc2ccc(cc12)-c1sc(cc1C)C#N
Show InChI InChI=1S/C18H20N2S/c1-11-7-14(10-19)21-17(11)13-5-6-16-15(8-13)12(2)9-18(3,4)20-16/h5-8,12,20H,9H2,1-4H3
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n/an/a 113n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Cross-reactivity as binding to human glucocorticoid receptor (hGR)


Bioorg Med Chem Lett 10: 415-8 (2000)


BindingDB Entry DOI: 10.7270/Q2P26ZMF
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50086554
PNG
(5-Methyl-4-(2,2,4-trimethyl-1,2-dihydro-quinolin-6...)
Show SMILES Cc1sc(cc1-c1ccc2NC(C)(C)C=C(C)c2c1)C#N |t:15|
Show InChI InChI=1S/C18H18N2S/c1-11-9-18(3,4)20-17-6-5-13(7-15(11)17)16-8-14(10-19)21-12(16)2/h5-9,20H,1-4H3
PDB

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n/an/a 120n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against human progesterone receptor (hPR) in a competitive binding assay


Bioorg Med Chem Lett 10: 415-8 (2000)


BindingDB Entry DOI: 10.7270/Q2P26ZMF
More data for this
Ligand-Target Pair
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