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Compile Data Set for Download or QSAR

Found 711 hits with Last Name = 'lane' and Initial = 'b'   
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


(RAT)
BDBM86689
PNG
(CAS_84371-65-3 | NSC_55245 | RU-486)
Show SMILES CC#CC1(O)CCC2C3CCC4=CC(=O)CCC4=C3C(CC12C)c1ccc(cc1)N(C)C
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
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0.100n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 191-200 (2005)


Article DOI: 10.1124/jpet.104.081257
BindingDB Entry DOI: 10.7270/Q2FT8J68
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid


(RAT)
BDBM86690
PNG
(A 348441 | A-348441)
Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)CCO[C@H]1CCC2C(C1)C[C@@H](O)C1C3CCC(C(C)CCC(O)=O)C3[C@@H](O)CC21
Show InChI InChI=1S/C52H71NO7/c1-5-21-52(59)22-20-44-40-14-9-32-25-35(54)12-15-39(32)48(40)43(29-51(44,52)3)31-7-10-34(11-8-31)53(4)23-24-60-36-13-16-38-33(26-36)27-45(55)50-41-18-17-37(30(2)6-19-47(57)58)49(41)46(56)28-42(38)50/h7-8,10-11,25,30,33,36-38,40-46,49-50,55-56,59H,6,9,12-20,22-24,26-29H2,1-4H3,(H,57,58)/t30?,33?,36-,37?,38?,40-,41?,42?,43+,44-,45+,46-,49?,50?,51-,52-/m0/s1
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0.270n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 191-200 (2005)


Article DOI: 10.1124/jpet.104.081257
BindingDB Entry DOI: 10.7270/Q2FT8J68
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50124595
PNG
(5-Allyl-10-chloro-2,2,4-trimethyl-2,5-dihydro-1H-6...)
Show SMILES CC1=CC(C)(C)Nc2ccc-3c(C(CC=C)Oc4ccc(O)c(Cl)c-34)c12
Show InChI InChI=1S/C22H22ClNO2/c1-5-6-16-19-13(20-17(26-16)10-9-15(25)21(20)23)7-8-14-18(19)12(2)11-22(3,4)24-14/h5,7-11,16,24-25H,1,6H2,2-4H3
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0.580n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human glucocorticoid receptor (GR) was determined using [3H]-Dexamethasone as radioligand in SF-1 cells


J Med Chem 46: 1016-30 (2003)


Article DOI: 10.1021/jm020335m
BindingDB Entry DOI: 10.7270/Q2MP52NB
More data for this
Ligand-Target Pair
progesterone


(RAT)
BDBM86689
PNG
(CAS_84371-65-3 | NSC_55245 | RU-486)
Show SMILES CC#CC1(O)CCC2C3CCC4=CC(=O)CCC4=C3C(CC12C)c1ccc(cc1)N(C)C
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
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0.640n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 191-200 (2005)


Article DOI: 10.1124/jpet.104.081257
BindingDB Entry DOI: 10.7270/Q2FT8J68
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM86689
PNG
(CAS_84371-65-3 | NSC_55245 | RU-486)
Show SMILES CC#CC1(O)CCC2C3CCC4=CC(=O)CCC4=C3C(CC12C)c1ccc(cc1)N(C)C
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
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0.650n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 191-200 (2005)


Article DOI: 10.1124/jpet.104.081257
BindingDB Entry DOI: 10.7270/Q2FT8J68
More data for this
Ligand-Target Pair
progesterone


(RAT)
BDBM86690
PNG
(A 348441 | A-348441)
Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)CCO[C@H]1CCC2C(C1)C[C@@H](O)C1C3CCC(C(C)CCC(O)=O)C3[C@@H](O)CC21
Show InChI InChI=1S/C52H71NO7/c1-5-21-52(59)22-20-44-40-14-9-32-25-35(54)12-15-39(32)48(40)43(29-51(44,52)3)31-7-10-34(11-8-31)53(4)23-24-60-36-13-16-38-33(26-36)27-45(55)50-41-18-17-37(30(2)6-19-47(57)58)49(41)46(56)28-42(38)50/h7-8,10-11,25,30,33,36-38,40-46,49-50,55-56,59H,6,9,12-20,22-24,26-29H2,1-4H3,(H,57,58)/t30?,33?,36-,37?,38?,40-,41?,42?,43+,44-,45+,46-,49?,50?,51-,52-/m0/s1
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0.810n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 191-200 (2005)


Article DOI: 10.1124/jpet.104.081257
BindingDB Entry DOI: 10.7270/Q2FT8J68
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50124619
PNG
(5-Allyl-10-methoxy-2,2,4-trimethyl-2,5-dihydro-1H-...)
Show SMILES COc1c(O)ccc2OC(CC=C)c3c(ccc4NC(C)(C)C=C(C)c34)-c12
Show InChI InChI=1S/C23H25NO3/c1-6-7-17-20-14(21-18(27-17)11-10-16(25)22(21)26-5)8-9-15-19(20)13(2)12-23(3,4)24-15/h6,8-12,17,24-25H,1,7H2,2-5H3
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0.950n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human glucocorticoid receptor (GR) was determined using [3H]-Dexamethasone as radioligand in SF-1 cells


J Med Chem 46: 1016-30 (2003)


Article DOI: 10.1021/jm020335m
BindingDB Entry DOI: 10.7270/Q2MP52NB
More data for this
Ligand-Target Pair
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
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)


Article DOI: 10.1021/jm010367u
BindingDB Entry DOI: 10.7270/Q2CZ36F4
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50124603
PNG
(5-Allyl-10-chloro-2,2,4-trimethyl-2,5-dihydro-1H-6...)
Show SMILES CC1=CC(C)(C)Nc2ccc-3c(C(CC=C)Oc4cccc(Cl)c-34)c12
Show InChI InChI=1S/C22H22ClNO/c1-5-7-17-21-14(20-15(23)8-6-9-18(20)25-17)10-11-16-19(21)13(2)12-22(3,4)24-16/h5-6,8-12,17,24H,1,7H2,2-4H3
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1.90n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human glucocorticoid receptor (GR) was determined using [3H]-Dexamethasone as radioligand in SF-1 cells


J Med Chem 46: 1016-30 (2003)


Article DOI: 10.1021/jm020335m
BindingDB Entry DOI: 10.7270/Q2MP52NB
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50124621
PNG
(5-Allyl-10-methoxy-2,2,4,7-tetramethyl-2,5-dihydro...)
Show SMILES COc1ccc(C)c2OC(CC=C)c3c(ccc4NC(C)(C)C=C(C)c34)-c12
Show InChI InChI=1S/C24H27NO2/c1-7-8-19-21-16(22-18(26-6)12-9-14(2)23(22)27-19)10-11-17-20(21)15(3)13-24(4,5)25-17/h7,9-13,19,25H,1,8H2,2-6H3
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2n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human glucocorticoid receptor (GR) was determined using [3H]-Dexamethasone as radioligand in SF-1 cells


J Med Chem 46: 1016-30 (2003)


Article DOI: 10.1021/jm020335m
BindingDB Entry DOI: 10.7270/Q2MP52NB
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50103246
PNG
(10-Methoxy-2,2,4-trimethyl-5-phenyl-2,5-dihydro-1H...)
Show SMILES COc1cccc2OC(c3ccccc3)c3c(ccc4NC(C)(C)C=C(C)c34)-c12
Show InChI InChI=1S/C26H25NO2/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/h5-15,25,27H,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 for glucocorticoid receptor


J Med Chem 44: 2879-85 (2001)


Article DOI: 10.1021/jm010228c
BindingDB Entry DOI: 10.7270/Q2ZG6RJP
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
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)


Article DOI: 10.1021/jm010367u
BindingDB Entry DOI: 10.7270/Q2CZ36F4
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50124597
PNG
(5-Allyl-10-difluoromethoxy-2,2,4-trimethyl-2,5-dih...)
Show SMILES CC1=CC(C)(C)Nc2ccc-3c(C(CC=C)Oc4cccc(OC(F)F)c-34)c12
Show InChI InChI=1S/C23H23F2NO2/c1-5-7-16-21-14(10-11-15-19(21)13(2)12-23(3,4)26-15)20-17(27-16)8-6-9-18(20)28-22(24)25/h5-6,8-12,16,22,26H,1,7H2,2-4H3
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2.20n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Transcriptional repression in HepG2 cells expressing human glucocorticoid receptor


J Med Chem 46: 1016-30 (2003)


Article DOI: 10.1021/jm020335m
BindingDB Entry DOI: 10.7270/Q2MP52NB
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50124594
PNG
((5-Allyl-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-az...)
Show SMILES CC1=CC(C)(C)Nc2ccc-3c(C(CC=C)Oc4cccc(CO)c-34)c12
Show InChI InChI=1S/C23H25NO2/c1-5-7-18-22-16(21-15(13-25)8-6-9-19(21)26-18)10-11-17-20(22)14(2)12-23(3,4)24-17/h5-6,8-12,18,24-25H,1,7,13H2,2-4H3
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2.30n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Transcriptional repression in HepG2 cells expressing human glucocorticoid receptor


J Med Chem 46: 1016-30 (2003)


Article DOI: 10.1021/jm020335m
BindingDB Entry DOI: 10.7270/Q2MP52NB
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50124591
PNG
(5-Allyl-7-bromo-10-chloro-2,2,4-trimethyl-2,5-dihy...)
Show SMILES CC1=CC(C)(C)Nc2ccc-3c(C(CC=C)Oc4c(Br)cc(O)c(Cl)c-34)c12
Show InChI InChI=1S/C22H21BrClNO2/c1-5-6-16-18-12(19-20(24)15(26)9-13(23)21(19)27-16)7-8-14-17(18)11(2)10-22(3,4)25-14/h5,7-10,16,25-26H,1,6H2,2-4H3
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2.30n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Transcriptional repression in HepG2 cells expressing human glucocorticoid receptor


J Med Chem 46: 1016-30 (2003)


Article DOI: 10.1021/jm020335m
BindingDB Entry DOI: 10.7270/Q2MP52NB
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 C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
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)


Article DOI: 10.1021/jm010367u
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 C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
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
Inhibition of dihydrofolate reductase DHFR in Pneumocystis carinii.


J Med Chem 46: 1016-30 (2003)


Article DOI: 10.1021/jm020335m
BindingDB Entry DOI: 10.7270/Q2MP52NB
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 C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
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 for glucocorticoid receptor


J Med Chem 44: 2879-85 (2001)


Article DOI: 10.1021/jm010228c
BindingDB Entry DOI: 10.7270/Q2ZG6RJP
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50103254
PNG
(CHEMBL317578 | Dimethyl-carbamic acid 3-(10-methox...)
Show SMILES COc1cccc2OC(c3cccc(OC(=O)N(C)C)c3)c3c(ccc4NC(C)(C)C=C(C)c34)-c12
Show InChI InChI=1S/C29H30N2O4/c1-17-16-29(2,3)30-21-14-13-20-25-22(33-6)11-8-12-23(25)35-27(26(20)24(17)21)18-9-7-10-19(15-18)34-28(32)31(4)5/h7-16,27,30H,1-6H3
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2.40n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]- dexamethasone from glucocorticoid receptor


J Med Chem 44: 2879-85 (2001)


Article DOI: 10.1021/jm010228c
BindingDB Entry DOI: 10.7270/Q2ZG6RJP
More data for this
Ligand-Target Pair
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
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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2.5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase DHFR in Pneumocystis carinii.


J Med Chem 46: 1016-30 (2003)


Article DOI: 10.1021/jm020335m
BindingDB Entry DOI: 10.7270/Q2MP52NB
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
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)


Article DOI: 10.1021/jm010367u
BindingDB Entry DOI: 10.7270/Q2CZ36F4
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50124614
PNG
(5-Allyl-10-methoxy-2,2,4-trimethyl-2,5-dihydro-1H-...)
Show SMILES COC(=O)c1ccc2OC(CC=C)c3c(ccc4NC(C)(C)C=C(C)c34)-c2c1OC
Show InChI InChI=1S/C25H27NO4/c1-7-8-18-21-15(9-11-17-20(21)14(2)13-25(3,4)26-17)22-19(30-18)12-10-16(23(22)28-5)24(27)29-6/h7,9-13,18,26H,1,8H2,2-6H3
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2.80n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human glucocorticoid receptor (GR) was determined using [3H]-Dexamethasone as radioligand in SF-1 cells


J Med Chem 46: 1016-30 (2003)


Article DOI: 10.1021/jm020335m
BindingDB Entry DOI: 10.7270/Q2MP52NB
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50103251
PNG
(5-(3,5-Dichloro-phenyl)-10-methoxy-2,2,4-trimethyl...)
Show SMILES COc1cccc2OC(c3cc(Cl)cc(Cl)c3)c3c(ccc4NC(C)(C)C=C(C)c34)-c12
Show InChI InChI=1S/C26H23Cl2NO2/c1-14-13-26(2,3)29-19-9-8-18-23-20(30-4)6-5-7-21(23)31-25(24(18)22(14)19)15-10-16(27)12-17(28)11-15/h5-13,25,29H,1-4H3
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3.30n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for glucocorticoid receptor


J Med Chem 44: 2879-85 (2001)


Article DOI: 10.1021/jm010228c
BindingDB Entry DOI: 10.7270/Q2ZG6RJP
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
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)


Article DOI: 10.1021/jm010367u
BindingDB Entry DOI: 10.7270/Q2CZ36F4
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50124604
PNG
(5-Allyl-9-fluoro-10-methoxy-2,2,4-trimethyl-2,5-di...)
Show SMILES COc1c(F)ccc2OC(CC=C)c3c(ccc4NC(C)(C)C=C(C)c34)-c12
Show InChI InChI=1S/C23H24FNO2/c1-6-7-17-20-14(21-18(27-17)11-9-15(24)22(21)26-5)8-10-16-19(20)13(2)12-23(3,4)25-16/h6,8-12,17,25H,1,7H2,2-5H3
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3.80n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human glucocorticoid receptor (GR) was determined using [3H]-Dexamethasone as radioligand in SF-1 cells


J Med Chem 46: 1016-30 (2003)


Article DOI: 10.1021/jm020335m
BindingDB Entry DOI: 10.7270/Q2MP52NB
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
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 for glucocorticoid receptor


J Med Chem 44: 2879-85 (2001)


Article DOI: 10.1021/jm010228c
BindingDB Entry DOI: 10.7270/Q2ZG6RJP
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
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)


Article DOI: 10.1021/jm010367u
BindingDB Entry DOI: 10.7270/Q2CZ36F4
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50124605
PNG
(5-Allyl-7-bromo-10-methoxy-2,2,4-trimethyl-2,5-dih...)
Show SMILES COc1ccc(Br)c2OC(CC=C)c3c(ccc4NC(C)(C)C=C(C)c34)-c12
Show InChI InChI=1S/C23H24BrNO2/c1-6-7-18-20-14(21-17(26-5)11-9-15(24)22(21)27-18)8-10-16-19(20)13(2)12-23(3,4)25-16/h6,8-12,18,25H,1,7H2,2-5H3
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4.10n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human glucocorticoid receptor (GR) was determined using [3H]-Dexamethasone as radioligand in SF-1 cells


J Med Chem 46: 1016-30 (2003)


Article DOI: 10.1021/jm020335m
BindingDB Entry DOI: 10.7270/Q2MP52NB
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50124609
PNG
(5-Allyl-2,2,4-trimethyl-10-prop-2-ynyloxy-2,5-dihy...)
Show SMILES CC1=CC(C)(C)Nc2ccc-3c(C(CC=C)Oc4cccc(OCC#C)c-34)c12
Show InChI InChI=1S/C25H25NO2/c1-6-9-20-24-17(12-13-18-22(24)16(3)15-25(4,5)26-18)23-19(27-14-7-2)10-8-11-21(23)28-20/h2,6,8,10-13,15,20,26H,1,9,14H2,3-5H3
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4.20n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human glucocorticoid receptor (GR) was determined using [3H]-Dexamethasone as radioligand in SF-1 cells


J Med Chem 46: 1016-30 (2003)


Article DOI: 10.1021/jm020335m
BindingDB Entry DOI: 10.7270/Q2MP52NB
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50124606
PNG
(5-Allyl-2,2,4-trimethyl-10-vinyl-2,5-dihydro-1H-6-...)
Show SMILES CC1=CC(C)(C)Nc2ccc-3c(C(CC=C)Oc4cccc(C=C)c-34)c12
Show InChI InChI=1S/C24H25NO/c1-6-9-19-23-17(22-16(7-2)10-8-11-20(22)26-19)12-13-18-21(23)15(3)14-24(4,5)25-18/h6-8,10-14,19,25H,1-2,9H2,3-5H3
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4.40n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human glucocorticoid receptor (GR) was determined using [3H]-Dexamethasone as radioligand in SF-1 cells


J Med Chem 46: 1016-30 (2003)


Article DOI: 10.1021/jm020335m
BindingDB Entry DOI: 10.7270/Q2MP52NB
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50103246
PNG
(10-Methoxy-2,2,4-trimethyl-5-phenyl-2,5-dihydro-1H...)
Show SMILES COc1cccc2OC(c3ccccc3)c3c(ccc4NC(C)(C)C=C(C)c34)-c12
Show InChI InChI=1S/C26H25NO2/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/h5-15,25,27H,1-4H3
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4.70n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for glucocorticoid receptor


J Med Chem 44: 2879-85 (2001)


Article DOI: 10.1021/jm010228c
BindingDB Entry DOI: 10.7270/Q2ZG6RJP
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50304836
PNG
(1,2-dimethyl-4-(6-methylpyridin-2-yl)-5-(quinoxali...)
Show SMILES Cc1cccc(n1)-c1c(-c2ccc3nccnc3c2)n(C)n(C)c1=O
Show InChI InChI=1S/C19H17N5O/c1-12-5-4-6-15(22-12)17-18(23(2)24(3)19(17)25)13-7-8-14-16(11-13)21-10-9-20-14/h4-11H,1-3H3
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5n/an/an/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]HTS446284 from human recombinant His-tagged TGFbetaR1 after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 326-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.108
BindingDB Entry DOI: 10.7270/Q2RN37ZK
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
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)


Article DOI: 10.1021/jm010367u
BindingDB Entry DOI: 10.7270/Q2CZ36F4
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50124593
PNG
(5-Allyl-2,2,4-trimethyl-10-methylsulfanyl-2,5-dihy...)
Show SMILES CSc1cccc2OC(CC=C)c3c(ccc4NC(C)(C)C=C(C)c34)-c12
Show InChI InChI=1S/C23H25NOS/c1-6-8-17-22-15(21-18(25-17)9-7-10-19(21)26-5)11-12-16-20(22)14(2)13-23(3,4)24-16/h6-7,9-13,17,24H,1,8H2,2-5H3
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5.20n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human glucocorticoid receptor (GR) was determined using [3H]-Dexamethasone as radioligand in SF-1 cells


J Med Chem 46: 1016-30 (2003)


Article DOI: 10.1021/jm020335m
BindingDB Entry DOI: 10.7270/Q2MP52NB
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50124620
PNG
(5-Allyl-9-bromo-10-methoxy-2,2,4-trimethyl-2,5-dih...)
Show SMILES COc1c(Br)ccc2OC(CC=C)c3c(ccc4NC(C)(C)C=C(C)c34)-c12
Show InChI InChI=1S/C23H24BrNO2/c1-6-7-17-20-14(21-18(27-17)11-9-15(24)22(21)26-5)8-10-16-19(20)13(2)12-23(3,4)25-16/h6,8-12,17,25H,1,7H2,2-5H3
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5.30n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human glucocorticoid receptor (GR) was determined using [3H]-Dexamethasone as radioligand in SF-1 cells


J Med Chem 46: 1016-30 (2003)


Article DOI: 10.1021/jm020335m
BindingDB Entry DOI: 10.7270/Q2MP52NB
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50124612
PNG
(5-Allyl-9-chloro-10-methoxy-2,2,4-trimethyl-2,5-di...)
Show SMILES COc1c(Cl)ccc2OC(CC=C)c3c(ccc4NC(C)(C)C=C(C)c34)-c12
Show InChI InChI=1S/C23H24ClNO2/c1-6-7-17-20-14(21-18(27-17)11-9-15(24)22(21)26-5)8-10-16-19(20)13(2)12-23(3,4)25-16/h6,8-12,17,25H,1,7H2,2-5H3
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5.40n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human glucocorticoid receptor (GR) was determined using [3H]-Dexamethasone as radioligand in SF-1 cells


J Med Chem 46: 1016-30 (2003)


Article DOI: 10.1021/jm020335m
BindingDB Entry DOI: 10.7270/Q2MP52NB
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50304849
PNG
(4-(3-ethylphenyl)-1,2-dimethyl-5-(quinoxalin-6-yl)...)
Show SMILES CCc1cccc(c1)-c1c(-c2ccc3nccnc3c2)n(C)n(C)c1=O
Show InChI InChI=1S/C21H20N4O/c1-4-14-6-5-7-15(12-14)19-20(24(2)25(3)21(19)26)16-8-9-17-18(13-16)23-11-10-22-17/h5-13H,4H2,1-3H3
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6n/an/an/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]HTS446284 from human recombinant His-tagged TGFbetaR1 after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 326-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.108
BindingDB Entry DOI: 10.7270/Q2RN37ZK
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50124608
PNG
((5-Allyl-10-methoxy-2,2,4-trimethyl-2,5-dihydro-1H...)
Show SMILES COc1c(CO)ccc2OC(CC=C)c3c(ccc4NC(C)(C)C=C(C)c34)-c12
Show InChI InChI=1S/C24H27NO3/c1-6-7-18-21-16(9-10-17-20(21)14(2)12-24(3,4)25-17)22-19(28-18)11-8-15(13-26)23(22)27-5/h6,8-12,18,25-26H,1,7,13H2,2-5H3
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6.60n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human glucocorticoid receptor (GR) was determined using [3H]-Dexamethasone as radioligand in SF-1 cells


J Med Chem 46: 1016-30 (2003)


Article DOI: 10.1021/jm020335m
BindingDB Entry DOI: 10.7270/Q2MP52NB
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50124615
PNG
(5-Allyl-10-ethynyl-2,2,4-trimethyl-2,5-dihydro-1H-...)
Show SMILES CC1=CC(C)(C)Nc2ccc-3c(C(CC=C)Oc4cccc(C#C)c-34)c12
Show InChI InChI=1S/C24H23NO/c1-6-9-19-23-17(22-16(7-2)10-8-11-20(22)26-19)12-13-18-21(23)15(3)14-24(4,5)25-18/h2,6,8,10-14,19,25H,1,9H2,3-5H3
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6.90n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human glucocorticoid receptor (GR) was determined using [3H]-Dexamethasone as radioligand in SF-1 cells


J Med Chem 46: 1016-30 (2003)


Article DOI: 10.1021/jm020335m
BindingDB Entry DOI: 10.7270/Q2MP52NB
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50124611
PNG
((5-Allyl-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-az...)
Show SMILES CNc1cccc2OC(CC=C)c3c(ccc4NC(C)(C)C=C(C)c34)-c12
Show InChI InChI=1S/C23H26N2O/c1-6-8-18-22-15(21-16(24-5)9-7-10-19(21)26-18)11-12-17-20(22)14(2)13-23(3,4)25-17/h6-7,9-13,18,24-25H,1,8H2,2-5H3
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7n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human glucocorticoid receptor (GR) was determined using [3H]-Dexamethasone as radioligand in SF-1 cells


J Med Chem 46: 1016-30 (2003)


Article DOI: 10.1021/jm020335m
BindingDB Entry DOI: 10.7270/Q2MP52NB
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50103251
PNG
(5-(3,5-Dichloro-phenyl)-10-methoxy-2,2,4-trimethyl...)
Show SMILES COc1cccc2OC(c3cc(Cl)cc(Cl)c3)c3c(ccc4NC(C)(C)C=C(C)c34)-c12
Show InChI InChI=1S/C26H23Cl2NO2/c1-14-13-26(2,3)29-19-9-8-18-23-20(30-4)6-5-7-21(23)31-25(24(18)22(14)19)15-10-16(27)12-17(28)11-15/h5-13,25,29H,1-4H3
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7.10n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for glucocorticoid receptor


J Med Chem 44: 2879-85 (2001)


Article DOI: 10.1021/jm010228c
BindingDB Entry DOI: 10.7270/Q2ZG6RJP
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50124595
PNG
(5-Allyl-10-chloro-2,2,4-trimethyl-2,5-dihydro-1H-6...)
Show SMILES CC1=CC(C)(C)Nc2ccc-3c(C(CC=C)Oc4ccc(O)c(Cl)c-34)c12
Show InChI InChI=1S/C22H22ClNO2/c1-5-6-16-19-13(20-17(26-16)10-9-15(25)21(20)23)7-8-14-18(19)12(2)11-22(3,4)24-14/h5,7-11,16,24-25H,1,6H2,2-4H3
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7.60n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


J Med Chem 46: 1016-30 (2003)


Article DOI: 10.1021/jm020335m
BindingDB Entry DOI: 10.7270/Q2MP52NB
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
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)


Article DOI: 10.1021/jm010367u
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
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)


Article DOI: 10.1021/jm010367u
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
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)


Article DOI: 10.1021/jm010367u
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
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)


Article DOI: 10.1021/jm010367u
BindingDB Entry DOI: 10.7270/Q2CZ36F4
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50062433
PNG
(9-Chloro-2,2,4-trimethyl-5-phenyl-2,5-dihydro-1H-6...)
Show SMILES CC1=CC(C)(C)Nc2ccc3-c4cc(Cl)ccc4OC(c4ccccc4)c3c12
Show InChI InChI=1S/C25H22ClNO/c1-15-14-25(2,3)27-20-11-10-18-19-13-17(26)9-12-21(19)28-24(23(18)22(15)20)16-7-5-4-6-8-16/h4-14,24,27H,1-3H3
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9.30n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for glucocorticoid receptor


J Med Chem 44: 2879-85 (2001)


Article DOI: 10.1021/jm010228c
BindingDB Entry DOI: 10.7270/Q2ZG6RJP
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50124600
PNG
(5-Allyl-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-aza...)
Show SMILES CC1=CC(C)(C)Nc2ccc-3c(C(CC=C)Oc4cccc(C#N)c-34)c12
Show InChI InChI=1S/C23H22N2O/c1-5-7-18-22-16(21-15(13-24)8-6-9-19(21)26-18)10-11-17-20(22)14(2)12-23(3,4)25-17/h5-6,8-12,18,25H,1,7H2,2-4H3
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9.30n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human glucocorticoid receptor (GR) was determined using [3H]-Dexamethasone as radioligand in SF-1 cells


J Med Chem 46: 1016-30 (2003)


Article DOI: 10.1021/jm020335m
BindingDB Entry DOI: 10.7270/Q2MP52NB
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
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)


Article DOI: 10.1021/jm010367u
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
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)


Article DOI: 10.1021/jm010367u
BindingDB Entry DOI: 10.7270/Q2CZ36F4
More data for this
Ligand-Target Pair
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