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Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with Target = 'Glucocorticoid receptor' and Ligand = 'BDBM50303834'   
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))
BDBM50303834
PNG
(Benzo[b]thiophen-3-yl(1-(4-fluorophenyl)-5a-methyl...)
Show SMILES CC12Cn3cnc(c3C=C1CCCC2C(O)c1csc2ccccc12)-c1ccc(F)cc1 |c:9|
Show InChI InChI=1S/C27H25FN2OS/c1-27-15-30-16-29-25(17-9-11-19(28)12-10-17)23(30)13-18(27)5-4-7-22(27)26(31)21-14-32-24-8-3-2-6-20(21)24/h2-3,6,8-14,16,22,26,31H,4-5,7,15H2,1H3
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7n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of GS-red from human glucocorticoid receptor by fluorescent polarization assay


J Med Chem 53: 1270-80 (2010)


Article DOI: 10.1021/jm901551w
BindingDB Entry DOI: 10.7270/Q2KS6SGW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50303834
PNG
(Benzo[b]thiophen-3-yl(1-(4-fluorophenyl)-5a-methyl...)
Show SMILES CC12Cn3cnc(c3C=C1CCCC2C(O)c1csc2ccccc12)-c1ccc(F)cc1 |c:9|
Show InChI InChI=1S/C27H25FN2OS/c1-27-15-30-16-29-25(17-9-11-19(28)12-10-17)23(30)13-18(27)5-4-7-22(27)26(31)21-14-32-24-8-3-2-6-20(21)24/h2-3,6,8-14,16,22,26,31H,4-5,7,15H2,1H3
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36n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of GS-red from human glucocorticoid receptor by fluorescent polarization assay


J Med Chem 53: 1270-80 (2010)


Article DOI: 10.1021/jm901551w
BindingDB Entry DOI: 10.7270/Q2KS6SGW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50303834
PNG
(Benzo[b]thiophen-3-yl(1-(4-fluorophenyl)-5a-methyl...)
Show SMILES CC12Cn3cnc(c3C=C1CCCC2C(O)c1csc2ccccc12)-c1ccc(F)cc1 |c:9|
Show InChI InChI=1S/C27H25FN2OS/c1-27-15-30-16-29-25(17-9-11-19(28)12-10-17)23(30)13-18(27)5-4-7-22(27)26(31)21-14-32-24-8-3-2-6-20(21)24/h2-3,6,8-14,16,22,26,31H,4-5,7,15H2,1H3
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134n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of GS-red from human glucocorticoid receptor by fluorescent polarization assay


J Med Chem 53: 1270-80 (2010)


Article DOI: 10.1021/jm901551w
BindingDB Entry DOI: 10.7270/Q2KS6SGW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50303834
PNG
(Benzo[b]thiophen-3-yl(1-(4-fluorophenyl)-5a-methyl...)
Show SMILES CC12Cn3cnc(c3C=C1CCCC2C(O)c1csc2ccccc12)-c1ccc(F)cc1 |c:9|
Show InChI InChI=1S/C27H25FN2OS/c1-27-15-30-16-29-25(17-9-11-19(28)12-10-17)23(30)13-18(27)5-4-7-22(27)26(31)21-14-32-24-8-3-2-6-20(21)24/h2-3,6,8-14,16,22,26,31H,4-5,7,15H2,1H3
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>1.15E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of GS-red from human glucocorticoid receptor by fluorescent polarization assay


J Med Chem 53: 1270-80 (2010)


Article DOI: 10.1021/jm901551w
BindingDB Entry DOI: 10.7270/Q2KS6SGW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50303834
PNG
(Benzo[b]thiophen-3-yl(1-(4-fluorophenyl)-5a-methyl...)
Show SMILES CC12Cn3cnc(c3C=C1CCCC2C(O)c1csc2ccccc12)-c1ccc(F)cc1 |c:9|
Show InChI InChI=1S/C27H25FN2OS/c1-27-15-30-16-29-25(17-9-11-19(28)12-10-17)23(30)13-18(27)5-4-7-22(27)26(31)21-14-32-24-8-3-2-6-20(21)24/h2-3,6,8-14,16,22,26,31H,4-5,7,15H2,1H3
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n/an/an/an/a 920n/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor expressed in human A549 cells assessed as inhibition of IL-1-beta-induced NF-kappaB dependent E-s...


J Med Chem 53: 1270-80 (2010)


Article DOI: 10.1021/jm901551w
BindingDB Entry DOI: 10.7270/Q2KS6SGW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50303834
PNG
(Benzo[b]thiophen-3-yl(1-(4-fluorophenyl)-5a-methyl...)
Show SMILES CC12Cn3cnc(c3C=C1CCCC2C(O)c1csc2ccccc12)-c1ccc(F)cc1 |c:9|
Show InChI InChI=1S/C27H25FN2OS/c1-27-15-30-16-29-25(17-9-11-19(28)12-10-17)23(30)13-18(27)5-4-7-22(27)26(31)21-14-32-24-8-3-2-6-20(21)24/h2-3,6,8-14,16,22,26,31H,4-5,7,15H2,1H3
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n/an/an/an/a>5.00E+3n/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor expressed in human A549 cells assessed as inhibition of IL-1-beta-induced NF-kappaB dependent E-s...


J Med Chem 53: 1270-80 (2010)


Article DOI: 10.1021/jm901551w
BindingDB Entry DOI: 10.7270/Q2KS6SGW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50303834
PNG
(Benzo[b]thiophen-3-yl(1-(4-fluorophenyl)-5a-methyl...)
Show SMILES CC12Cn3cnc(c3C=C1CCCC2C(O)c1csc2ccccc12)-c1ccc(F)cc1 |c:9|
Show InChI InChI=1S/C27H25FN2OS/c1-27-15-30-16-29-25(17-9-11-19(28)12-10-17)23(30)13-18(27)5-4-7-22(27)26(31)21-14-32-24-8-3-2-6-20(21)24/h2-3,6,8-14,16,22,26,31H,4-5,7,15H2,1H3
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n/an/an/an/a 910n/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor expressed in human A549 cells assessed as inhibition of IL-1-beta-induced NF-kappaB dependent E-s...


J Med Chem 53: 1270-80 (2010)


Article DOI: 10.1021/jm901551w
BindingDB Entry DOI: 10.7270/Q2KS6SGW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50303834
PNG
(Benzo[b]thiophen-3-yl(1-(4-fluorophenyl)-5a-methyl...)
Show SMILES CC12Cn3cnc(c3C=C1CCCC2C(O)c1csc2ccccc12)-c1ccc(F)cc1 |c:9|
Show InChI InChI=1S/C27H25FN2OS/c1-27-15-30-16-29-25(17-9-11-19(28)12-10-17)23(30)13-18(27)5-4-7-22(27)26(31)21-14-32-24-8-3-2-6-20(21)24/h2-3,6,8-14,16,22,26,31H,4-5,7,15H2,1H3
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n/an/an/an/a>5.00E+3n/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor expressed in human A549 cells assessed as inhibition of PMA-induced AP1 activity after 6 hrs by l...


J Med Chem 53: 1270-80 (2010)


Article DOI: 10.1021/jm901551w
BindingDB Entry DOI: 10.7270/Q2KS6SGW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50303834
PNG
(Benzo[b]thiophen-3-yl(1-(4-fluorophenyl)-5a-methyl...)
Show SMILES CC12Cn3cnc(c3C=C1CCCC2C(O)c1csc2ccccc12)-c1ccc(F)cc1 |c:9|
Show InChI InChI=1S/C27H25FN2OS/c1-27-15-30-16-29-25(17-9-11-19(28)12-10-17)23(30)13-18(27)5-4-7-22(27)26(31)21-14-32-24-8-3-2-6-20(21)24/h2-3,6,8-14,16,22,26,31H,4-5,7,15H2,1H3
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n/an/an/an/a 181n/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor expressed in human A549 cells assessed as inhibition of PMA-induced AP1 activity after 6 hrs by l...


J Med Chem 53: 1270-80 (2010)


Article DOI: 10.1021/jm901551w
BindingDB Entry DOI: 10.7270/Q2KS6SGW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50303834
PNG
(Benzo[b]thiophen-3-yl(1-(4-fluorophenyl)-5a-methyl...)
Show SMILES CC12Cn3cnc(c3C=C1CCCC2C(O)c1csc2ccccc12)-c1ccc(F)cc1 |c:9|
Show InChI InChI=1S/C27H25FN2OS/c1-27-15-30-16-29-25(17-9-11-19(28)12-10-17)23(30)13-18(27)5-4-7-22(27)26(31)21-14-32-24-8-3-2-6-20(21)24/h2-3,6,8-14,16,22,26,31H,4-5,7,15H2,1H3
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n/an/an/an/a>5.00E+3n/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor expressed in human A549 cells assessed as inhibition of IL-1-beta-induced NF-kappaB dependent E-s...


J Med Chem 53: 1270-80 (2010)


Article DOI: 10.1021/jm901551w
BindingDB Entry DOI: 10.7270/Q2KS6SGW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50303834
PNG
(Benzo[b]thiophen-3-yl(1-(4-fluorophenyl)-5a-methyl...)
Show SMILES CC12Cn3cnc(c3C=C1CCCC2C(O)c1csc2ccccc12)-c1ccc(F)cc1 |c:9|
Show InChI InChI=1S/C27H25FN2OS/c1-27-15-30-16-29-25(17-9-11-19(28)12-10-17)23(30)13-18(27)5-4-7-22(27)26(31)21-14-32-24-8-3-2-6-20(21)24/h2-3,6,8-14,16,22,26,31H,4-5,7,15H2,1H3
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n/an/an/an/a 1.02E+3n/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor expressed in human A549 cells assessed as inhibition of PMA-induced AP1 activity after 6 hrs by l...


J Med Chem 53: 1270-80 (2010)


Article DOI: 10.1021/jm901551w
BindingDB Entry DOI: 10.7270/Q2KS6SGW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50303834
PNG
(Benzo[b]thiophen-3-yl(1-(4-fluorophenyl)-5a-methyl...)
Show SMILES CC12Cn3cnc(c3C=C1CCCC2C(O)c1csc2ccccc12)-c1ccc(F)cc1 |c:9|
Show InChI InChI=1S/C27H25FN2OS/c1-27-15-30-16-29-25(17-9-11-19(28)12-10-17)23(30)13-18(27)5-4-7-22(27)26(31)21-14-32-24-8-3-2-6-20(21)24/h2-3,6,8-14,16,22,26,31H,4-5,7,15H2,1H3
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n/an/an/an/a 2.50E+3n/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor expressed in human A549 cells assessed as inhibition of PMA-induced AP1 activity after 6 hrs by l...


J Med Chem 53: 1270-80 (2010)


Article DOI: 10.1021/jm901551w
BindingDB Entry DOI: 10.7270/Q2KS6SGW
More data for this
Ligand-Target Pair