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Compile Data Set for Download or QSAR

Found 178 hits with Last Name = 'green' and Initial = 'be'   
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
Glucocorticoid receptor


(Homo sapiens (Human))
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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1.40n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards glucocorticoid receptor (GR) by displacing [3H]-Dexamethasone


J Med Chem 44: 4481-91 (2001)


BindingDB Entry DOI: 10.7270/Q2CZ36F4
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50107350
PNG
(5-Benzyl-10-methoxy-2,2,4-trimethyl-2,5-dihydro-1H...)
Show SMILES COc1cccc2OC(C3CCCC3)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:24|
Show InChI InChI=1S/C25H29NO2/c1-15-14-25(2,3)26-18-13-12-17-22-19(27-4)10-7-11-20(22)28-24(23(17)21(15)18)16-8-5-6-9-16/h7,10-14,16,24,26H,5-6,8-9H2,1-4H3
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2.10n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards glucocorticoid receptor (GR) by displacing [3H]-Dexamethasone


J Med Chem 44: 4481-91 (2001)


BindingDB Entry DOI: 10.7270/Q2CZ36F4
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM19190
PNG
((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...)
Show SMILES [H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |r,c:27,t:23|
Show InChI InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1
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2.40n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards glucocorticoid receptor (GR) by displacing [3H]-Dexamethasone


J Med Chem 44: 4481-91 (2001)


BindingDB Entry DOI: 10.7270/Q2CZ36F4
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50107356
PNG
(10-Methoxy-2,2,4-trimethyl-5-prop-2-ynyl-2,5-dihyd...)
Show SMILES COc1cccc2OC(CC#C)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:21|
Show InChI InChI=1S/C23H23NO2/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/h1,7,9-13,18,24H,8H2,2-5H3
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2.70n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards glucocorticoid receptor (GR) by displacing [3H]-Dexamethasone


J Med Chem 44: 4481-91 (2001)


BindingDB Entry DOI: 10.7270/Q2CZ36F4
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50107359
PNG
(5-Butyl-10-methoxy-2,2,4-trimethyl-2,5-dihydro-1H-...)
Show SMILES CCCCC1Oc2cccc(OC)c2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:23|
Show InChI InChI=1S/C24H29NO2/c1-6-7-9-20-23-16(22-18(26-5)10-8-11-19(22)27-20)12-13-17-21(23)15(2)14-24(3,4)25-17/h8,10-14,20,25H,6-7,9H2,1-5H3
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3.70n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards glucocorticoid receptor (GR) by displacing [3H]-Dexamethasone


J Med Chem 44: 4481-91 (2001)


BindingDB Entry DOI: 10.7270/Q2CZ36F4
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50103249
PNG
(10-Methoxy-2,2,4-trimethyl-5-(3-methylsulfanylmeth...)
Show SMILES COc1cccc2OC(c3cccc(OCSC)c3)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:29|
Show InChI InChI=1S/C28H29NO3S/c1-17-15-28(2,3)29-21-13-12-20-25-22(30-4)10-7-11-23(25)32-27(26(20)24(17)21)18-8-6-9-19(14-18)31-16-33-5/h6-15,27,29H,16H2,1-5H3
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4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards glucocorticoid receptor (GR) by displacing [3H]-Dexamethasone


J Med Chem 44: 4481-91 (2001)


BindingDB Entry DOI: 10.7270/Q2CZ36F4
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50107346
PNG
(10-Methoxy-2,2,4-trimethyl-5-propyl-2,5-dihydro-1H...)
Show SMILES CCCC1Oc2cccc(OC)c2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:22|
Show InChI InChI=1S/C23H27NO2/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/h7,9-13,18,24H,6,8H2,1-5H3
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5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards glucocorticoid receptor (GR) by displacing [3H]-Dexamethasone


J Med Chem 44: 4481-91 (2001)


BindingDB Entry DOI: 10.7270/Q2CZ36F4
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50107354
PNG
(5-Benzyl-10-methoxy-2,2,4-trimethyl-2,5-dihydro-1H...)
Show SMILES COc1cccc2OC(Cc3ccccc3)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:26|
Show InChI InChI=1S/C27H27NO2/c1-17-16-27(2,3)28-20-14-13-19-25-21(29-4)11-8-12-22(25)30-23(26(19)24(17)20)15-18-9-6-5-7-10-18/h5-14,16,23,28H,15H2,1-4H3
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8.10n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards glucocorticoid receptor (GR) by displacing [3H]-Dexamethasone


J Med Chem 44: 4481-91 (2001)


BindingDB Entry DOI: 10.7270/Q2CZ36F4
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50107353
PNG
(5-But-3-enyl-10-methoxy-2,2,4-trimethyl-2,5-dihydr...)
Show SMILES COc1cccc2OC(CCC=C)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:22|
Show InChI InChI=1S/C24H27NO2/c1-6-7-9-20-23-16(22-18(26-5)10-8-11-19(22)27-20)12-13-17-21(23)15(2)14-24(3,4)25-17/h6,8,10-14,20,25H,1,7,9H2,2-5H3
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8.10n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards glucocorticoid receptor (GR) by displacing [3H]-Dexamethasone


J Med Chem 44: 4481-91 (2001)


BindingDB Entry DOI: 10.7270/Q2CZ36F4
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50107364
PNG
(5-Isopropyl-10-methoxy-2,2,4-trimethyl-2,5-dihydro...)
Show SMILES COc1cccc2OC(C(C)C)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:21|
Show InChI InChI=1S/C23H27NO2/c1-13(2)22-21-15(20-17(25-6)8-7-9-18(20)26-22)10-11-16-19(21)14(3)12-23(4,5)24-16/h7-13,22,24H,1-6H3
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9n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards glucocorticoid receptor (GR) by displacing [3H]-Dexamethasone


J Med Chem 44: 4481-91 (2001)


BindingDB Entry DOI: 10.7270/Q2CZ36F4
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50107358
PNG
(10-Methoxy-2,2,4-trimethyl-5-propenyl-2,5-dihydro-...)
Show SMILES COc1cccc2OC(\C=C\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/h6-13,18,24H,1-5H3/b8-6+
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9n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards glucocorticoid receptor (GR) by displacing [3H]-Dexamethasone


J Med Chem 44: 4481-91 (2001)


BindingDB Entry DOI: 10.7270/Q2CZ36F4
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50107344
PNG
(5-Isobutyl-10-methoxy-2,2,4-trimethyl-2,5-dihydro-...)
Show SMILES COc1cccc2OC(CC(C)C)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:22|
Show InChI InChI=1S/C24H29NO2/c1-14(2)12-20-23-16(22-18(26-6)8-7-9-19(22)27-20)10-11-17-21(23)15(3)13-24(4,5)25-17/h7-11,13-14,20,25H,12H2,1-6H3
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9.5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards glucocorticoid receptor (GR) by displacing [3H]-Dexamethasone


J Med Chem 44: 4481-91 (2001)


BindingDB Entry DOI: 10.7270/Q2CZ36F4
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50107365
PNG
(5-Cyclohexyl-10-methoxy-2,2,4-trimethyl-2,5-dihydr...)
Show SMILES COc1cccc2OC(C3CCCCC3)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:25|
Show InChI InChI=1S/C26H31NO2/c1-16-15-26(2,3)27-19-14-13-18-23-20(28-4)11-8-12-21(23)29-25(24(18)22(16)19)17-9-6-5-7-10-17/h8,11-15,17,25,27H,5-7,9-10H2,1-4H3
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9.90n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards glucocorticoid receptor (GR) by displacing [3H]-Dexamethasone


J Med Chem 44: 4481-91 (2001)


BindingDB Entry DOI: 10.7270/Q2CZ36F4
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50107355
PNG
(5-Ethyl-10-methoxy-2,2,4-trimethyl-2,5-dihydro-1H-...)
Show SMILES CCC1Oc2cccc(OC)c2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:21|
Show InChI InChI=1S/C22H25NO2/c1-6-16-21-14(20-17(24-5)8-7-9-18(20)25-16)10-11-15-19(21)13(2)12-22(3,4)23-15/h7-12,16,23H,6H2,1-5H3
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14n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards glucocorticoid receptor (GR) by displacing [3H]-Dexamethasone


J Med Chem 44: 4481-91 (2001)


BindingDB Entry DOI: 10.7270/Q2CZ36F4
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50107352
PNG
(10-Methoxy-2,2,4-trimethyl-5-propenyl-2,5-dihydro-...)
Show SMILES COc1cccc2OC(\C=C/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/h6-13,18,24H,1-5H3/b8-6-
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18n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards glucocorticoid receptor (GR) by displacing [3H]-Dexamethasone


J Med Chem 44: 4481-91 (2001)


BindingDB Entry DOI: 10.7270/Q2CZ36F4
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50107366
PNG
(10-Methoxy-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-...)
Show SMILES CCOC(=O)C1Oc2cccc(OC)c2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:24|
Show InChI InChI=1S/C23H25NO4/c1-6-27-22(25)21-20-14(19-16(26-5)8-7-9-17(19)28-21)10-11-15-18(20)13(2)12-23(3,4)24-15/h7-12,21,24H,6H2,1-5H3
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25n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards glucocorticoid receptor (GR) by displacing [3H]-Dexamethasone


J Med Chem 44: 4481-91 (2001)


BindingDB Entry DOI: 10.7270/Q2CZ36F4
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50107357
PNG
(10-Methoxy-2,2,4,5-tetramethyl-2,5-dihydro-1H-6-ox...)
Show SMILES COc1cccc2OC(C)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:19|
Show InChI InChI=1S/C21H23NO2/c1-12-11-21(3,4)22-15-10-9-14-19(18(12)15)13(2)24-17-8-6-7-16(23-5)20(14)17/h6-11,13,22H,1-5H3
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50n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards glucocorticoid receptor (GR) by displacing [3H]-Dexamethasone


J Med Chem 44: 4481-91 (2001)


BindingDB Entry DOI: 10.7270/Q2CZ36F4
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50107345
PNG
(CHEMBL141426 | [2-(10-Methoxy-2,2,4-trimethyl-2,5-...)
Show SMILES COc1cccc2OC(CCN(C)C)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:23|
Show InChI InChI=1S/C24H30N2O2/c1-15-14-24(2,3)25-17-11-10-16-22-18(27-6)8-7-9-19(22)28-20(12-13-26(4)5)23(16)21(15)17/h7-11,14,20,25H,12-13H2,1-6H3
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62n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards glucocorticoid receptor (GR) by displacing [3H]-Dexamethasone


J Med Chem 44: 4481-91 (2001)


BindingDB Entry DOI: 10.7270/Q2CZ36F4
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50107351
PNG
(2-(10-Methoxy-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa...)
Show SMILES COc1cccc2OC(CCO)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:21|
Show InChI InChI=1S/C22H25NO3/c1-13-12-22(2,3)23-15-9-8-14-20-16(25-4)6-5-7-17(20)26-18(10-11-24)21(14)19(13)15/h5-9,12,18,23-24H,10-11H2,1-4H3
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106n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards glucocorticoid receptor (GR) by displacing [3H]-Dexamethasone


J Med Chem 44: 4481-91 (2001)


BindingDB Entry DOI: 10.7270/Q2CZ36F4
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50107349
PNG
(10-Methoxy-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-...)
Show SMILES COc1cccc2OCc3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:18|
Show InChI InChI=1S/C20H21NO2/c1-12-10-20(2,3)21-15-9-8-13-14(18(12)15)11-23-17-7-5-6-16(22-4)19(13)17/h5-10,21H,11H2,1-4H3
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208n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards glucocorticoid receptor (GR) by displacing [3H]-Dexamethasone


J Med Chem 44: 4481-91 (2001)


BindingDB Entry DOI: 10.7270/Q2CZ36F4
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50107362
PNG
(2-(10-Methoxy-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa...)
Show SMILES COc1cccc2OC(CC(=O)N(C)C)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:24|
Show InChI InChI=1S/C24H28N2O3/c1-14-13-24(2,3)25-16-11-10-15-22-17(28-6)8-7-9-18(22)29-19(23(15)21(14)16)12-20(27)26(4)5/h7-11,13,19,25H,12H2,1-6H3
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511n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards glucocorticoid receptor (GR) by displacing [3H]-Dexamethasone


J Med Chem 44: 4481-91 (2001)


BindingDB Entry DOI: 10.7270/Q2CZ36F4
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50107352
PNG
(10-Methoxy-2,2,4-trimethyl-5-propenyl-2,5-dihydro-...)
Show SMILES COc1cccc2OC(\C=C/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/h6-13,18,24H,1-5H3/b8-6-
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730n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards progesterone receptor (PR) by displacing [3H]-progesterone.


J Med Chem 44: 4481-91 (2001)


BindingDB Entry DOI: 10.7270/Q2CZ36F4
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50107356
PNG
(10-Methoxy-2,2,4-trimethyl-5-prop-2-ynyl-2,5-dihyd...)
Show SMILES COc1cccc2OC(CC#C)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:21|
Show InChI InChI=1S/C23H23NO2/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/h1,7,9-13,18,24H,8H2,2-5H3
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760n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards progesterone receptor (PR) by displacing [3H]-progesterone.


J Med Chem 44: 4481-91 (2001)


BindingDB Entry DOI: 10.7270/Q2CZ36F4
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50107366
PNG
(10-Methoxy-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-...)
Show SMILES CCOC(=O)C1Oc2cccc(OC)c2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:24|
Show InChI InChI=1S/C23H25NO4/c1-6-27-22(25)21-20-14(19-16(26-5)8-7-9-17(19)28-21)10-11-15-18(20)13(2)12-23(3,4)24-15/h7-12,21,24H,6H2,1-5H3
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966n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards progesterone receptor (PR) by displacing [3H]-progesterone.


J Med Chem 44: 4481-91 (2001)


BindingDB Entry DOI: 10.7270/Q2CZ36F4
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
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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1.30E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards progesterone receptor (PR) by displacing [3H]-progesterone.


J Med Chem 44: 4481-91 (2001)


BindingDB Entry DOI: 10.7270/Q2CZ36F4
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
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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1.30E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards progesterone receptor (PR) by displacing [3H]-progesterone.


J Med Chem 44: 4481-91 (2001)


BindingDB Entry DOI: 10.7270/Q2CZ36F4
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50107359
PNG
(5-Butyl-10-methoxy-2,2,4-trimethyl-2,5-dihydro-1H-...)
Show SMILES CCCCC1Oc2cccc(OC)c2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:23|
Show InChI InChI=1S/C24H29NO2/c1-6-7-9-20-23-16(22-18(26-5)10-8-11-19(22)27-20)12-13-17-21(23)15(2)14-24(3,4)25-17/h8,10-14,20,25H,6-7,9H2,1-5H3
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1.70E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards progesterone receptor (PR) by displacing [3H]-progesterone.


J Med Chem 44: 4481-91 (2001)


BindingDB Entry DOI: 10.7270/Q2CZ36F4
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50107358
PNG
(10-Methoxy-2,2,4-trimethyl-5-propenyl-2,5-dihydro-...)
Show SMILES COc1cccc2OC(\C=C\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/h6-13,18,24H,1-5H3/b8-6+
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2.10E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards progesterone receptor (PR) by displacing [3H]-progesterone.


J Med Chem 44: 4481-91 (2001)


BindingDB Entry DOI: 10.7270/Q2CZ36F4
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50107360
PNG
(2-(10-Methoxy-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa...)
Show SMILES CNC(=O)CC1Oc2cccc(OC)c2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:24|
Show InChI InChI=1S/C23H26N2O3/c1-13-12-23(2,3)25-15-10-9-14-21-16(27-5)7-6-8-17(21)28-18(11-19(26)24-4)22(14)20(13)15/h6-10,12,18,25H,11H2,1-5H3,(H,24,26)
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3.20E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards glucocorticoid receptor (GR) by displacing [3H]-Dexamethasone


J Med Chem 44: 4481-91 (2001)


BindingDB Entry DOI: 10.7270/Q2CZ36F4
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50107357
PNG
(10-Methoxy-2,2,4,5-tetramethyl-2,5-dihydro-1H-6-ox...)
Show SMILES COc1cccc2OC(C)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:19|
Show InChI InChI=1S/C21H23NO2/c1-12-11-21(3,4)22-15-10-9-14-19(18(12)15)13(2)24-17-8-6-7-16(23-5)20(14)17/h6-11,13,22H,1-5H3
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4.30E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards progesterone receptor (PR) by displacing [3H]-progesterone.


J Med Chem 44: 4481-91 (2001)


BindingDB Entry DOI: 10.7270/Q2CZ36F4
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50107361
PNG
(10-Methoxy-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-...)
Show SMILES COc1cccc2OC(C(N)=O)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:21|
Show InChI InChI=1S/C21H22N2O3/c1-11-10-21(2,3)23-13-9-8-12-17-14(25-4)6-5-7-15(17)26-19(20(22)24)18(12)16(11)13/h5-10,19,23H,1-4H3,(H2,22,24)
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>5.00E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards progesterone receptor (PR) by displacing [3H]-progesterone.


J Med Chem 44: 4481-91 (2001)


BindingDB Entry DOI: 10.7270/Q2CZ36F4
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50107350
PNG
(5-Benzyl-10-methoxy-2,2,4-trimethyl-2,5-dihydro-1H...)
Show SMILES COc1cccc2OC(C3CCCC3)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:24|
Show InChI InChI=1S/C25H29NO2/c1-15-14-25(2,3)26-18-13-12-17-22-19(27-4)10-7-11-20(22)28-24(23(17)21(15)18)16-8-5-6-9-16/h7,10-14,16,24,26H,5-6,8-9H2,1-4H3
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>5.00E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards progesterone receptor (PR) by displacing [3H]-progesterone.


J Med Chem 44: 4481-91 (2001)


BindingDB Entry DOI: 10.7270/Q2CZ36F4
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50107346
PNG
(10-Methoxy-2,2,4-trimethyl-5-propyl-2,5-dihydro-1H...)
Show SMILES CCCC1Oc2cccc(OC)c2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:22|
Show InChI InChI=1S/C23H27NO2/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/h7,9-13,18,24H,6,8H2,1-5H3
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>5.00E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards progesterone receptor (PR) by displacing [3H]-progesterone.


J Med Chem 44: 4481-91 (2001)


BindingDB Entry DOI: 10.7270/Q2CZ36F4
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50107353
PNG
(5-But-3-enyl-10-methoxy-2,2,4-trimethyl-2,5-dihydr...)
Show SMILES COc1cccc2OC(CCC=C)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:22|
Show InChI InChI=1S/C24H27NO2/c1-6-7-9-20-23-16(22-18(26-5)10-8-11-19(22)27-20)12-13-17-21(23)15(2)14-24(3,4)25-17/h6,8,10-14,20,25H,1,7,9H2,2-5H3
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>5.00E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards progesterone receptor (PR) by displacing [3H]-progesterone.


J Med Chem 44: 4481-91 (2001)


BindingDB Entry DOI: 10.7270/Q2CZ36F4
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50107345
PNG
(CHEMBL141426 | [2-(10-Methoxy-2,2,4-trimethyl-2,5-...)
Show SMILES COc1cccc2OC(CCN(C)C)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:23|
Show InChI InChI=1S/C24H30N2O2/c1-15-14-24(2,3)25-17-11-10-16-22-18(27-6)8-7-9-19(22)28-20(12-13-26(4)5)23(16)21(15)17/h7-11,14,20,25H,12-13H2,1-6H3
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>5.00E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards progesterone receptor (PR) by displacing [3H]-progesterone.


J Med Chem 44: 4481-91 (2001)


BindingDB Entry DOI: 10.7270/Q2CZ36F4
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50107348
PNG
((10-Methoxy-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1...)
Show SMILES COc1cccc2OC(CC(O)=O)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:22|
Show InChI InChI=1S/C22H23NO4/c1-12-11-22(2,3)23-14-9-8-13-20-15(26-4)6-5-7-16(20)27-17(10-18(24)25)21(13)19(12)14/h5-9,11,17,23H,10H2,1-4H3,(H,24,25)
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>5.00E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards progesterone receptor (PR) by displacing [3H]-progesterone.


J Med Chem 44: 4481-91 (2001)


BindingDB Entry DOI: 10.7270/Q2CZ36F4
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50107364
PNG
(5-Isopropyl-10-methoxy-2,2,4-trimethyl-2,5-dihydro...)
Show SMILES COc1cccc2OC(C(C)C)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:21|
Show InChI InChI=1S/C23H27NO2/c1-13(2)22-21-15(20-17(25-6)8-7-9-18(20)26-22)10-11-16-19(21)14(3)12-23(4,5)24-16/h7-13,22,24H,1-6H3
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>5.00E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards progesterone receptor (PR) by displacing [3H]-progesterone.


J Med Chem 44: 4481-91 (2001)


BindingDB Entry DOI: 10.7270/Q2CZ36F4
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50103249
PNG
(10-Methoxy-2,2,4-trimethyl-5-(3-methylsulfanylmeth...)
Show SMILES COc1cccc2OC(c3cccc(OCSC)c3)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:29|
Show InChI InChI=1S/C28H29NO3S/c1-17-15-28(2,3)29-21-13-12-20-25-22(30-4)10-7-11-23(25)32-27(26(20)24(17)21)18-8-6-9-19(14-18)31-16-33-5/h6-15,27,29H,16H2,1-5H3
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>5.00E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards progesterone receptor (PR) by displacing [3H]-progesterone.


J Med Chem 44: 4481-91 (2001)


BindingDB Entry DOI: 10.7270/Q2CZ36F4
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50107362
PNG
(2-(10-Methoxy-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa...)
Show SMILES COc1cccc2OC(CC(=O)N(C)C)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:24|
Show InChI InChI=1S/C24H28N2O3/c1-14-13-24(2,3)25-16-11-10-15-22-17(28-6)8-7-9-18(22)29-19(23(15)21(14)16)12-20(27)26(4)5/h7-11,13,19,25H,12H2,1-6H3
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>5.00E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards progesterone receptor (PR) by displacing [3H]-progesterone.


J Med Chem 44: 4481-91 (2001)


BindingDB Entry DOI: 10.7270/Q2CZ36F4
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50107348
PNG
((10-Methoxy-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1...)
Show SMILES COc1cccc2OC(CC(O)=O)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:22|
Show InChI InChI=1S/C22H23NO4/c1-12-11-22(2,3)23-14-9-8-13-20-15(26-4)6-5-7-16(20)27-17(10-18(24)25)21(13)19(12)14/h5-9,11,17,23H,10H2,1-4H3,(H,24,25)
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>5.00E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards glucocorticoid receptor (GR) by displacing [3H]-Dexamethasone


J Med Chem 44: 4481-91 (2001)


BindingDB Entry DOI: 10.7270/Q2CZ36F4
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50107351
PNG
(2-(10-Methoxy-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa...)
Show SMILES COc1cccc2OC(CCO)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:21|
Show InChI InChI=1S/C22H25NO3/c1-13-12-22(2,3)23-15-9-8-14-20-16(25-4)6-5-7-17(20)26-18(10-11-24)21(14)19(13)15/h5-9,12,18,23-24H,10-11H2,1-4H3
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>5.00E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards progesterone receptor (PR) by displacing [3H]-progesterone.


J Med Chem 44: 4481-91 (2001)


BindingDB Entry DOI: 10.7270/Q2CZ36F4
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50107360
PNG
(2-(10-Methoxy-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa...)
Show SMILES CNC(=O)CC1Oc2cccc(OC)c2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:24|
Show InChI InChI=1S/C23H26N2O3/c1-13-12-23(2,3)25-15-10-9-14-21-16(27-5)7-6-8-17(21)28-18(11-19(26)24-4)22(14)20(13)15/h6-10,12,18,25H,11H2,1-5H3,(H,24,26)
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>5.00E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards progesterone receptor (PR) by displacing [3H]-progesterone.


J Med Chem 44: 4481-91 (2001)


BindingDB Entry DOI: 10.7270/Q2CZ36F4
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50107361
PNG
(10-Methoxy-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-...)
Show SMILES COc1cccc2OC(C(N)=O)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:21|
Show InChI InChI=1S/C21H22N2O3/c1-11-10-21(2,3)23-13-9-8-12-17-14(25-4)6-5-7-15(17)26-19(20(22)24)18(12)16(11)13/h5-10,19,23H,1-4H3,(H2,22,24)
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>5.00E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards glucocorticoid receptor (GR) by displacing [3H]-Dexamethasone


J Med Chem 44: 4481-91 (2001)


BindingDB Entry DOI: 10.7270/Q2CZ36F4
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50107344
PNG
(5-Isobutyl-10-methoxy-2,2,4-trimethyl-2,5-dihydro-...)
Show SMILES COc1cccc2OC(CC(C)C)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:22|
Show InChI InChI=1S/C24H29NO2/c1-14(2)12-20-23-16(22-18(26-6)8-7-9-19(22)27-20)10-11-17-21(23)15(3)13-24(4,5)25-17/h7-11,13-14,20,25H,12H2,1-6H3
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>5.00E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards progesterone receptor (PR) by displacing [3H]-progesterone.


J Med Chem 44: 4481-91 (2001)


BindingDB Entry DOI: 10.7270/Q2CZ36F4
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM19190
PNG
((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...)
Show SMILES [H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |r,c:27,t:23|
Show InChI InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards progesterone receptor (PR) by displacing [3H]-progesterone.


J Med Chem 44: 4481-91 (2001)


BindingDB Entry DOI: 10.7270/Q2CZ36F4
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50107365
PNG
(5-Cyclohexyl-10-methoxy-2,2,4-trimethyl-2,5-dihydr...)
Show SMILES COc1cccc2OC(C3CCCCC3)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:25|
Show InChI InChI=1S/C26H31NO2/c1-16-15-26(2,3)27-19-14-13-18-23-20(28-4)11-8-12-21(23)29-25(24(18)22(16)19)17-9-6-5-7-10-17/h8,11-15,17,25,27H,5-7,9-10H2,1-4H3
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>5.00E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards progesterone receptor (PR) by displacing [3H]-progesterone.


J Med Chem 44: 4481-91 (2001)


BindingDB Entry DOI: 10.7270/Q2CZ36F4
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50107354
PNG
(5-Benzyl-10-methoxy-2,2,4-trimethyl-2,5-dihydro-1H...)
Show SMILES COc1cccc2OC(Cc3ccccc3)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:26|
Show InChI InChI=1S/C27H27NO2/c1-17-16-27(2,3)28-20-14-13-19-25-21(29-4)11-8-12-22(25)30-23(26(19)24(17)20)15-18-9-6-5-7-10-18/h5-14,16,23,28H,15H2,1-4H3
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>5.00E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards progesterone receptor (PR) by displacing [3H]-progesterone.


J Med Chem 44: 4481-91 (2001)


BindingDB Entry DOI: 10.7270/Q2CZ36F4
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50107355
PNG
(5-Ethyl-10-methoxy-2,2,4-trimethyl-2,5-dihydro-1H-...)
Show SMILES CCC1Oc2cccc(OC)c2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:21|
Show InChI InChI=1S/C22H25NO2/c1-6-16-21-14(20-17(24-5)8-7-9-18(20)25-16)10-11-15-19(21)13(2)12-22(3,4)23-15/h7-12,16,23H,6H2,1-5H3
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>5.00E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards progesterone receptor (PR) by displacing [3H]-progesterone.


J Med Chem 44: 4481-91 (2001)


BindingDB Entry DOI: 10.7270/Q2CZ36F4
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50107349
PNG
(10-Methoxy-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-...)
Show SMILES COc1cccc2OCc3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:18|
Show InChI InChI=1S/C20H21NO2/c1-12-10-20(2,3)21-15-9-8-13-14(18(12)15)11-23-17-7-5-6-16(22-4)19(13)17/h5-10,21H,11H2,1-4H3
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>5.00E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards progesterone receptor (PR) by displacing [3H]-progesterone.


J Med Chem 44: 4481-91 (2001)


BindingDB Entry DOI: 10.7270/Q2CZ36F4
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM50063071
PNG
(((1S,2S,4S)-1-Benzyl-2-hydroxy-4-{3-[3-(2-isopropy...)
Show SMILES CC(C)c1nc(CN(C)C(=O)NCCC(=O)N[C@H](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1
Show InChI InChI=1S/C35H44N6O5S2/c1-24(2)33-39-28(22-47-33)20-41(3)34(44)37-15-14-32(43)38-27(16-25-10-6-4-7-11-25)18-31(42)30(17-26-12-8-5-9-13-26)40-35(45)46-21-29-19-36-23-48-29/h4-13,19,22-24,27,30-31,42H,14-18,20-21H2,1-3H3,(H,37,44)(H,38,43)(H,40,45)/t27-,30-,31-/m0/s1
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Article
PubMed
n/an/a 1.10n/an/an/an/an/an/a



Abbott Laboratory

Curated by ChEMBL


Assay Description
Inhibitory concentration against purified recombinant HIV-1 protease using fluorogenic substrate


J Med Chem 41: 602-17 (1998)


Article DOI: 10.1021/jm970636+
BindingDB Entry DOI: 10.7270/Q2N58KGK
More data for this
Ligand-Target Pair
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