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Compile Data Set for Download or QSAR

Found 22 hits Enz. Inhib. hit(s) with all data for assayid = 6 entry = 50039428   
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))
BDBM18207
PNG
((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)
Show SMILES [H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |c:28,t:24|
Show InChI InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1
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Article
PubMed
n/an/an/an/a 4.20n/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Transactivation activity of glucocorticoid receptor ligand binding domain expressed in human NP-1 Hela cells co-expressing GAL4 DNA binding domain by...


J Med Chem 53: 8241-51 (2010)


Article DOI: 10.1021/jm100957a
BindingDB Entry DOI: 10.7270/Q2HX1DPW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50348417
PNG
(CHEMBL1800987)
Show SMILES CC(C)(C1c2ccccc2Oc2ccccc12)C(=O)Nc1nncs1
Show InChI InChI=1S/C19H17N3O2S/c1-19(2,17(23)21-18-22-20-11-25-18)16-12-7-3-5-9-14(12)24-15-10-6-4-8-13(15)16/h3-11,16H,1-2H3,(H,21,22,23)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Transactivation activity of glucocorticoid receptor ligand binding domain expressed in human NP-1 Hela cells co-expressing GAL4 DNA binding domain by...


J Med Chem 53: 8241-51 (2010)


Article DOI: 10.1021/jm100957a
BindingDB Entry DOI: 10.7270/Q2HX1DPW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50348398
PNG
(CHEMBL1800979)
Show SMILES CC(C)(C(c1ccccc1)c1ccccc1)C(=O)Nc1nccs1
Show InChI InChI=1S/C20H20N2OS/c1-20(2,18(23)22-19-21-13-14-24-19)17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-14,17H,1-2H3,(H,21,22,23)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Transactivation activity of glucocorticoid receptor ligand binding domain expressed in human NP-1 Hela cells co-expressing GAL4 DNA binding domain by...


J Med Chem 53: 8241-51 (2010)


Article DOI: 10.1021/jm100957a
BindingDB Entry DOI: 10.7270/Q2HX1DPW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50348399
PNG
(CHEMBL1800980)
Show SMILES COc1ccc(cc1)C(c1ccccc1)C(C)(C)C(=O)Nc1nccs1
Show InChI InChI=1S/C21H22N2O2S/c1-21(2,19(24)23-20-22-13-14-26-20)18(15-7-5-4-6-8-15)16-9-11-17(25-3)12-10-16/h4-14,18H,1-3H3,(H,22,23,24)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Transactivation activity of glucocorticoid receptor ligand binding domain expressed in human NP-1 Hela cells co-expressing GAL4 DNA binding domain by...


J Med Chem 53: 8241-51 (2010)


Article DOI: 10.1021/jm100957a
BindingDB Entry DOI: 10.7270/Q2HX1DPW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50348400
PNG
(CHEMBL1801013)
Show SMILES CC(C)(C(c1ccccc1)c1ccc(O)cc1)C(=O)Nc1nccs1
Show InChI InChI=1S/C20H20N2O2S/c1-20(2,18(24)22-19-21-12-13-25-19)17(14-6-4-3-5-7-14)15-8-10-16(23)11-9-15/h3-13,17,23H,1-2H3,(H,21,22,24)
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n/an/an/an/a 863n/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Transactivation activity of glucocorticoid receptor ligand binding domain expressed in human NP-1 Hela cells co-expressing GAL4 DNA binding domain by...


J Med Chem 53: 8241-51 (2010)


Article DOI: 10.1021/jm100957a
BindingDB Entry DOI: 10.7270/Q2HX1DPW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50348401
PNG
(CHEMBL1801012)
Show SMILES CC(C)([C@@H](c1ccccc1)c1ccc(O)cc1)C(=O)Nc1nccs1 |r|
Show InChI InChI=1S/C20H20N2O2S/c1-20(2,18(24)22-19-21-12-13-25-19)17(14-6-4-3-5-7-14)15-8-10-16(23)11-9-15/h3-13,17,23H,1-2H3,(H,21,22,24)/t17-/m0/s1
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n/an/an/an/a 372n/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Transactivation activity of glucocorticoid receptor ligand binding domain expressed in human NP-1 Hela cells co-expressing GAL4 DNA binding domain by...


J Med Chem 53: 8241-51 (2010)


Article DOI: 10.1021/jm100957a
BindingDB Entry DOI: 10.7270/Q2HX1DPW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50348402
PNG
(CHEMBL1801011)
Show SMILES CC(C)([C@H](c1ccccc1)c1ccc(O)cc1)C(=O)Nc1nccs1 |r|
Show InChI InChI=1S/C20H20N2O2S/c1-20(2,18(24)22-19-21-12-13-25-19)17(14-6-4-3-5-7-14)15-8-10-16(23)11-9-15/h3-13,17,23H,1-2H3,(H,21,22,24)/t17-/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Transactivation activity of glucocorticoid receptor ligand binding domain expressed in human NP-1 Hela cells co-expressing GAL4 DNA binding domain by...


J Med Chem 53: 8241-51 (2010)


Article DOI: 10.1021/jm100957a
BindingDB Entry DOI: 10.7270/Q2HX1DPW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50348403
PNG
(CHEMBL1801010)
Show SMILES CC(C)(C(c1ccccc1)c1ccc(O)cc1F)C(=O)Nc1nccs1
Show InChI InChI=1S/C20H19FN2O2S/c1-20(2,18(25)23-19-22-10-11-26-19)17(13-6-4-3-5-7-13)15-9-8-14(24)12-16(15)21/h3-12,17,24H,1-2H3,(H,22,23,25)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Transactivation activity of glucocorticoid receptor ligand binding domain expressed in human NP-1 Hela cells co-expressing GAL4 DNA binding domain by...


J Med Chem 53: 8241-51 (2010)


Article DOI: 10.1021/jm100957a
BindingDB Entry DOI: 10.7270/Q2HX1DPW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50348404
PNG
(CHEMBL1801009)
Show SMILES CC(C)(C(c1ccccc1)c1ccc(O)c(F)c1)C(=O)Nc1nccs1
Show InChI InChI=1S/C20H19FN2O2S/c1-20(2,18(25)23-19-22-10-11-26-19)17(13-6-4-3-5-7-13)14-8-9-16(24)15(21)12-14/h3-12,17,24H,1-2H3,(H,22,23,25)
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n/an/an/an/a 216n/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Transactivation activity of glucocorticoid receptor ligand binding domain expressed in human NP-1 Hela cells co-expressing GAL4 DNA binding domain by...


J Med Chem 53: 8241-51 (2010)


Article DOI: 10.1021/jm100957a
BindingDB Entry DOI: 10.7270/Q2HX1DPW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50348405
PNG
(CHEMBL1801008)
Show SMILES CC(C)([C@@H](c1ccccc1)c1ccc(O)c(F)c1)C(=O)Nc1nccs1 |r|
Show InChI InChI=1S/C20H19FN2O2S/c1-20(2,18(25)23-19-22-10-11-26-19)17(13-6-4-3-5-7-13)14-8-9-16(24)15(21)12-14/h3-12,17,24H,1-2H3,(H,22,23,25)/t17-/m0/s1
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n/an/an/an/a 119n/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Transactivation activity of glucocorticoid receptor ligand binding domain expressed in human NP-1 Hela cells co-expressing GAL4 DNA binding domain by...


J Med Chem 53: 8241-51 (2010)


Article DOI: 10.1021/jm100957a
BindingDB Entry DOI: 10.7270/Q2HX1DPW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50348406
PNG
(CHEMBL1801007)
Show SMILES CC(C)([C@H](c1ccccc1)c1ccc(O)c(F)c1)C(=O)Nc1nccs1 |r|
Show InChI InChI=1S/C20H19FN2O2S/c1-20(2,18(25)23-19-22-10-11-26-19)17(13-6-4-3-5-7-13)14-8-9-16(24)15(21)12-14/h3-12,17,24H,1-2H3,(H,22,23,25)/t17-/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Transactivation activity of glucocorticoid receptor ligand binding domain expressed in human NP-1 Hela cells co-expressing GAL4 DNA binding domain by...


J Med Chem 53: 8241-51 (2010)


Article DOI: 10.1021/jm100957a
BindingDB Entry DOI: 10.7270/Q2HX1DPW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50348407
PNG
(CHEMBL1801006)
Show SMILES CC(C)([C@@H](c1ccccc1)c1ccc(O)c(Br)c1)C(=O)Nc1nccs1 |r|
Show InChI InChI=1S/C20H19BrN2O2S/c1-20(2,18(25)23-19-22-10-11-26-19)17(13-6-4-3-5-7-13)14-8-9-16(24)15(21)12-14/h3-12,17,24H,1-2H3,(H,22,23,25)/t17-/m0/s1
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n/an/an/an/a 115n/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Transactivation activity of glucocorticoid receptor ligand binding domain expressed in human NP-1 Hela cells co-expressing GAL4 DNA binding domain by...


J Med Chem 53: 8241-51 (2010)


Article DOI: 10.1021/jm100957a
BindingDB Entry DOI: 10.7270/Q2HX1DPW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50348408
PNG
(CHEMBL1801005)
Show SMILES CC(C)([C@@H](c1ccccc1)c1ccc(O)c(c1)C#N)C(=O)Nc1nccs1 |r|
Show InChI InChI=1S/C21H19N3O2S/c1-21(2,19(26)24-20-23-10-11-27-20)18(14-6-4-3-5-7-14)15-8-9-17(25)16(12-15)13-22/h3-12,18,25H,1-2H3,(H,23,24,26)/t18-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Transactivation activity of glucocorticoid receptor ligand binding domain expressed in human NP-1 Hela cells co-expressing GAL4 DNA binding domain by...


J Med Chem 53: 8241-51 (2010)


Article DOI: 10.1021/jm100957a
BindingDB Entry DOI: 10.7270/Q2HX1DPW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50348409
PNG
(CHEMBL1801003)
Show SMILES CC(=O)c1cc(ccc1O)[C@H](c1ccccc1)C(C)(C)C(=O)Nc1nccs1 |r|
Show InChI InChI=1S/C22H22N2O3S/c1-14(25)17-13-16(9-10-18(17)26)19(15-7-5-4-6-8-15)22(2,3)20(27)24-21-23-11-12-28-21/h4-13,19,26H,1-3H3,(H,23,24,27)/t19-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Transactivation activity of glucocorticoid receptor ligand binding domain expressed in human NP-1 Hela cells co-expressing GAL4 DNA binding domain by...


J Med Chem 53: 8241-51 (2010)


Article DOI: 10.1021/jm100957a
BindingDB Entry DOI: 10.7270/Q2HX1DPW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50348410
PNG
(CHEMBL1801004)
Show SMILES CC(C)([C@@H](c1ccccc1)c1ccc(O)cc1)C(=O)Nc1nncs1 |r|
Show InChI InChI=1S/C19H19N3O2S/c1-19(2,17(24)21-18-22-20-12-25-18)16(13-6-4-3-5-7-13)14-8-10-15(23)11-9-14/h3-12,16,23H,1-2H3,(H,21,22,24)/t16-/m0/s1
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n/an/an/an/a 380n/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Transactivation activity of glucocorticoid receptor ligand binding domain expressed in human NP-1 Hela cells co-expressing GAL4 DNA binding domain by...


J Med Chem 53: 8241-51 (2010)


Article DOI: 10.1021/jm100957a
BindingDB Entry DOI: 10.7270/Q2HX1DPW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50348411
PNG
(CHEMBL1800981)
Show SMILES CC(C)([C@@H](c1ccccc1)c1ccc(O)c(F)c1)C(=O)Nc1nncs1 |r|
Show InChI InChI=1S/C19H18FN3O2S/c1-19(2,17(25)22-18-23-21-11-26-18)16(12-6-4-3-5-7-12)13-8-9-15(24)14(20)10-13/h3-11,16,24H,1-2H3,(H,22,23,25)/t16-/m0/s1
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n/an/an/an/a 121n/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Transactivation activity of glucocorticoid receptor ligand binding domain expressed in human NP-1 Hela cells co-expressing GAL4 DNA binding domain by...


J Med Chem 53: 8241-51 (2010)


Article DOI: 10.1021/jm100957a
BindingDB Entry DOI: 10.7270/Q2HX1DPW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50348412
PNG
(CHEMBL1800982)
Show SMILES CC(C)([C@@H](c1ccccc1)c1ccc(O)c(Br)c1)C(=O)Nc1nncs1 |r|
Show InChI InChI=1S/C19H18BrN3O2S/c1-19(2,17(25)22-18-23-21-11-26-18)16(12-6-4-3-5-7-12)13-8-9-15(24)14(20)10-13/h3-11,16,24H,1-2H3,(H,22,23,25)/t16-/m0/s1
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n/an/an/an/a 67.2n/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Transactivation activity of glucocorticoid receptor ligand binding domain expressed in human NP-1 Hela cells co-expressing GAL4 DNA binding domain by...


J Med Chem 53: 8241-51 (2010)


Article DOI: 10.1021/jm100957a
BindingDB Entry DOI: 10.7270/Q2HX1DPW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50348413
PNG
(CHEMBL1800983)
Show SMILES Cc1cc(ccc1O)[C@H](c1ccccc1)C(C)(C)C(=O)Nc1nncs1 |r|
Show InChI InChI=1S/C20H21N3O2S/c1-13-11-15(9-10-16(13)24)17(14-7-5-4-6-8-14)20(2,3)18(25)22-19-23-21-12-26-19/h4-12,17,24H,1-3H3,(H,22,23,25)/t17-/m0/s1
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n/an/an/an/a 556n/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Transactivation activity of glucocorticoid receptor ligand binding domain expressed in human NP-1 Hela cells co-expressing GAL4 DNA binding domain by...


J Med Chem 53: 8241-51 (2010)


Article DOI: 10.1021/jm100957a
BindingDB Entry DOI: 10.7270/Q2HX1DPW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50348414
PNG
(CHEMBL1800984)
Show SMILES CC(C)([C@H]1c2ccccc2Oc2cc(O)ccc12)C(=O)Nc1nccs1 |r|
Show InChI InChI=1S/C20H18N2O3S/c1-20(2,18(24)22-19-21-9-10-26-19)17-13-5-3-4-6-15(13)25-16-11-12(23)7-8-14(16)17/h3-11,17,23H,1-2H3,(H,21,22,24)/t17-/m0/s1
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n/an/an/an/a 60.1n/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Transactivation activity of glucocorticoid receptor ligand binding domain expressed in human NP-1 Hela cells co-expressing GAL4 DNA binding domain by...


J Med Chem 53: 8241-51 (2010)


Article DOI: 10.1021/jm100957a
BindingDB Entry DOI: 10.7270/Q2HX1DPW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50348415
PNG
(CHEMBL1800985)
Show SMILES CC(C)([C@H]1c2ccccc2Oc2cc(O)ccc12)C(=O)Nc1nncs1 |r|
Show InChI InChI=1S/C19H17N3O3S/c1-19(2,17(24)21-18-22-20-10-26-18)16-12-5-3-4-6-14(12)25-15-9-11(23)7-8-13(15)16/h3-10,16,23H,1-2H3,(H,21,22,24)/t16-/m0/s1
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Article
PubMed
n/an/an/an/a 85.7n/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Transactivation activity of glucocorticoid receptor ligand binding domain expressed in human NP-1 Hela cells co-expressing GAL4 DNA binding domain by...


J Med Chem 53: 8241-51 (2010)


Article DOI: 10.1021/jm100957a
BindingDB Entry DOI: 10.7270/Q2HX1DPW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50348416
PNG
(CHEMBL1800986)
Show SMILES CC(C)([C@@H]1c2ccccc2Oc2cc(O)ccc12)C(=O)Nc1nncs1 |r|
Show InChI InChI=1S/C19H17N3O3S/c1-19(2,17(24)21-18-22-20-10-26-18)16-12-5-3-4-6-14(12)25-15-9-11(23)7-8-13(15)16/h3-10,16,23H,1-2H3,(H,21,22,24)/t16-/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Transactivation activity of glucocorticoid receptor ligand binding domain expressed in human NP-1 Hela cells co-expressing GAL4 DNA binding domain by...


J Med Chem 53: 8241-51 (2010)


Article DOI: 10.1021/jm100957a
BindingDB Entry DOI: 10.7270/Q2HX1DPW
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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Purchase

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Article
PubMed
n/an/an/an/a 82.7n/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Transactivation activity of glucocorticoid receptor ligand binding domain expressed in human NP-1 Hela cells co-expressing GAL4 DNA binding domain by...


J Med Chem 53: 8241-51 (2010)


Article DOI: 10.1021/jm100957a
BindingDB Entry DOI: 10.7270/Q2HX1DPW
More data for this
Ligand-Target Pair