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Compile Data Set for Download or QSAR

Found 28 hits of ki for UniProtKB: P06536   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glucocorticoid receptor


(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 |c:18,t:11|
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 receptor


(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 |r,c:18,t:11|
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


(RAT)
BDBM50499243
PNG
(CHEMBL3735203)
Show SMILES Fc1ccc(cc1)-n1ncc2C[C@@]3(CN(CCC3=Cc12)S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccn1 |r,c:19|
Show InChI InChI=1S/C28H21Cl2FN4O3S/c29-23-9-8-22(14-24(23)30)39(37,38)34-12-10-19-13-26-18(16-33-35(26)21-6-4-20(31)5-7-21)15-28(19,17-34)27(36)25-3-1-2-11-32-25/h1-9,11,13-14,16H,10,12,15,17H2/t28-/m0/s1
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8.5n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor in rat H4IIEC3 cells assessed as glucocorticoid-induced TAT activity


Bioorg Med Chem Lett 25: 5720-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.097
BindingDB Entry DOI: 10.7270/Q2ST7STZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)
BDBM50265673
PNG
(CHEMBL4068611)
Show SMILES Cn1cc(cn1)S(=O)(=O)N1CCC2=Cc3c(C[C@@]2(C1)C(=O)c1cc(ccn1)C(F)(F)F)cnn3-c1ccc(F)cc1 |r,t:13|
Show InChI InChI=1S/C27H22F4N6O3S/c1-35-15-22(14-33-35)41(39,40)36-9-7-18-11-24-17(13-34-37(24)21-4-2-20(28)3-5-21)12-26(18,16-36)25(38)23-10-19(6-8-32-23)27(29,30)31/h2-6,8,10-11,13-15H,7,9,12,16H2,1H3/t26-/m0/s1
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12n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at rat glucocorticoid receptor in primary hepatocytes assessed as dexamethasone-induced tyrosine amino transferase activity prein...


J Med Chem 60: 3405-3421 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00162
BindingDB Entry DOI: 10.7270/Q27083X5
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)
BDBM50265674
PNG
(CHEMBL3734774)
Show SMILES Fc1ccc(cc1)-n1ncc2C[C@@]3(CN(CCC3=Cc12)S(=O)(=O)c1ccc(cc1)C(F)(F)F)C(=O)c1ccccn1 |r,c:19|
Show InChI InChI=1S/C29H22F4N4O3S/c30-22-6-8-23(9-7-22)37-26-15-21-12-14-36(41(39,40)24-10-4-20(5-11-24)29(31,32)33)18-28(21,16-19(26)17-35-37)27(38)25-3-1-2-13-34-25/h1-11,13,15,17H,12,14,16,18H2/t28-/m0/s1
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13n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor in rat primary hepatocytes assessed as inhibition of glucocorticoid-induced TAT activity


Bioorg Med Chem Lett 25: 5720-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.097
BindingDB Entry DOI: 10.7270/Q2ST7STZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)
BDBM50499243
PNG
(CHEMBL3735203)
Show SMILES Fc1ccc(cc1)-n1ncc2C[C@@]3(CN(CCC3=Cc12)S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccn1 |r,c:19|
Show InChI InChI=1S/C28H21Cl2FN4O3S/c29-23-9-8-22(14-24(23)30)39(37,38)34-12-10-19-13-26-18(16-33-35(26)21-6-4-20(31)5-7-21)15-28(19,17-34)27(36)25-3-1-2-11-32-25/h1-9,11,13-14,16H,10,12,15,17H2/t28-/m0/s1
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150n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor in rat primary hepatocytes assessed as inhibition of glucocorticoid-induced TAT activity


Bioorg Med Chem Lett 25: 5720-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.097
BindingDB Entry DOI: 10.7270/Q2ST7STZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)
BDBM50597074
PNG
(CHEMBL5197264)
Show SMILES CC(C)(c1ccccc1)c1cccc(NS(C)(=O)=O)c1
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1.96E+4n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00402
BindingDB Entry DOI: 10.7270/Q2571H1M
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)
BDBM50597080
PNG
(CHEMBL5207249)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)N(C(=O)c1ccccc1)c1ccccc1
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2.22E+4n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00402
BindingDB Entry DOI: 10.7270/Q2571H1M
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)
BDBM50597079
PNG
(CHEMBL5207123)
Show SMILES CC(=O)c1ccc(cc1)N(Cc1ccccc1)c1ccc(NS(C)(=O)=O)cc1
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2.54E+4n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00402
BindingDB Entry DOI: 10.7270/Q2571H1M
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)
BDBM50597071
PNG
(CHEMBL5191961)
Show SMILES CN(C)S(=O)(=O)Nc1ccc(cc1)C(C)(C)c1ccccc1
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2.90E+4n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00402
BindingDB Entry DOI: 10.7270/Q2571H1M
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)
BDBM50597078
PNG
(CHEMBL5181002)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)N(Cc1ccccc1)c1ccccc1
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2.91E+4n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00402
BindingDB Entry DOI: 10.7270/Q2571H1M
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)
BDBM50597070
PNG
(CHEMBL5186524)
Show SMILES CCS(=O)(=O)Nc1ccc(cc1)C(C)(C)c1ccccc1
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3.79E+4n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00402
BindingDB Entry DOI: 10.7270/Q2571H1M
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)
BDBM50597068
PNG
(CHEMBL5201004)
Show SMILES CC(C)(c1ccccc1)c1ccc(NS(C)(=O)=O)cc1
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4.00E+4n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00402
BindingDB Entry DOI: 10.7270/Q2571H1M
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)
BDBM50597081
PNG
(CHEMBL5184647)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)N(C(=O)c1ccccc1)c1ccc(F)cc1
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4.15E+4n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00402
BindingDB Entry DOI: 10.7270/Q2571H1M
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)
BDBM50597087
PNG
(CHEMBL5181278)
Show SMILES CC1(C)CN(c2ccc(F)cc2)c2ccc(NS(C)(=O)=O)cc2O1
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4.32E+4n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00402
BindingDB Entry DOI: 10.7270/Q2571H1M
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)
BDBM50597077
PNG
(CHEMBL5172350)
Show SMILES CCN(c1ccccc1)c1ccc(NS(C)(=O)=O)cc1
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4.50E+4n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00402
BindingDB Entry DOI: 10.7270/Q2571H1M
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)
BDBM50597076
PNG
(CHEMBL5176336)
Show SMILES CN(c1ccccc1)c1ccc(NS(C)(=O)=O)cc1
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4.72E+4n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00402
BindingDB Entry DOI: 10.7270/Q2571H1M
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)
BDBM50597083
PNG
(CHEMBL5171957)
Show SMILES CS(=O)(=O)Nc1ccc2N(C(=O)C(Oc2c1)c1ccccc1)c1ccc(F)cc1
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5.52E+4n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00402
BindingDB Entry DOI: 10.7270/Q2571H1M
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)
BDBM50004519
PNG
(CHEMBL2181929)
Show SMILES CC1(C)Oc2cc(NS(C)(=O)=O)ccc2N(C1=O)c1ccc(F)cc1
Show InChI InChI=1S/C17H17FN2O4S/c1-17(2)16(21)20(13-7-4-11(18)5-8-13)14-9-6-12(10-15(14)24-17)19-25(3,22)23/h4-10,19H,1-3H3
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8.42E+4n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00402
BindingDB Entry DOI: 10.7270/Q2571H1M
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)
BDBM50597082
PNG
(CHEMBL5204612)
Show SMILES CS(=O)(=O)Nc1ccc2N(C(=O)COc2c1)c1ccc(F)cc1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00402
BindingDB Entry DOI: 10.7270/Q2571H1M
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)
BDBM50597075
PNG
(CHEMBL5186231)
Show SMILES CS(=O)(=O)Nc1ccc(Nc2ccccc2)cc1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00402
BindingDB Entry DOI: 10.7270/Q2571H1M
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)
BDBM50597073
PNG
(CHEMBL5182687)
Show SMILES CNS(=O)(=O)c1ccc(cc1)C(C)(C)c1ccccc1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00402
BindingDB Entry DOI: 10.7270/Q2571H1M
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)
BDBM50597072
PNG
(CHEMBL5173089)
Show SMILES CC(C)(c1ccccc1)c1ccc(cc1)S(N)(=O)=O
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00402
BindingDB Entry DOI: 10.7270/Q2571H1M
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)
BDBM50597067
PNG
(CHEMBL5182675)
Show SMILES CC(=O)Nc1ccc(cc1)C(C)(C)c1ccccc1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00402
BindingDB Entry DOI: 10.7270/Q2571H1M
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)
BDBM50597069
PNG
(CHEMBL5208644)
Show SMILES CC(C)(c1ccccc1)c1ccc(NS(=O)(=O)C(F)(F)F)cc1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00402
BindingDB Entry DOI: 10.7270/Q2571H1M
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)
BDBM50597085
PNG
(CHEMBL5183454)
Show SMILES CS(=O)(=O)Nc1ccc2N(C(=O)C3(CC3)Oc2c1)c1ccc(F)cc1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00402
BindingDB Entry DOI: 10.7270/Q2571H1M
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)
BDBM50597086
PNG
(CHEMBL5187656)
Show SMILES CS(=O)(=O)Nc1ccc2N(C(=O)C3(CCC3)Oc2c1)c1ccc(F)cc1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00402
BindingDB Entry DOI: 10.7270/Q2571H1M
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)
BDBM50597084
PNG
(CHEMBL5174401)
Show SMILES CC1Oc2cc(NS(C)(=O)=O)ccc2N(C1=O)c1ccc(F)cc1
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1.36E+5n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00402
BindingDB Entry DOI: 10.7270/Q2571H1M
More data for this
Ligand-Target Pair