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Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with all data for assayid = 5 entry = 50032743   
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))
BDBM50334054
PNG
((+/-)-(3R,4S)-5-chloro-6-(1H-indol-7-yl)-2,2,4,8-t...)
Show SMILES C[C@@H]1[C@@H](O)C(C)(C)Nc2c(C)cc(c(Cl)c12)-c1cccc2cc[nH]c12 |r|
Show InChI InChI=1S/C21H23ClN2O/c1-11-10-15(14-7-5-6-13-8-9-23-19(13)14)17(22)16-12(2)20(25)21(3,4)24-18(11)16/h5-10,12,20,23-25H,1-4H3/t12-,20+/m0/s1
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n/an/a 1.60n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor in IL-1beta-stimulated human HepG2 cells assessed as inhibition of AP1 response element-induced I...


Bioorg Med Chem Lett 21: 168-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.047
BindingDB Entry DOI: 10.7270/Q2VX0GRB
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50334054
PNG
((+/-)-(3R,4S)-5-chloro-6-(1H-indol-7-yl)-2,2,4,8-t...)
Show SMILES C[C@@H]1[C@@H](O)C(C)(C)Nc2c(C)cc(c(Cl)c12)-c1cccc2cc[nH]c12 |r|
Show InChI InChI=1S/C21H23ClN2O/c1-11-10-15(14-7-5-6-13-8-9-23-19(13)14)17(22)16-12(2)20(25)21(3,4)24-18(11)16/h5-10,12,20,23-25H,1-4H3/t12-,20+/m0/s1
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n/an/a 1.60n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor in IL-1beta-stimulated human HepG2 cells assessed as inhibition of AP1 response element-induced I...


Bioorg Med Chem Lett 21: 168-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.047
BindingDB Entry DOI: 10.7270/Q2VX0GRB
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50334054
PNG
((+/-)-(3R,4S)-5-chloro-6-(1H-indol-7-yl)-2,2,4,8-t...)
Show SMILES C[C@@H]1[C@@H](O)C(C)(C)Nc2c(C)cc(c(Cl)c12)-c1cccc2cc[nH]c12 |r|
Show InChI InChI=1S/C21H23ClN2O/c1-11-10-15(14-7-5-6-13-8-9-23-19(13)14)17(22)16-12(2)20(25)21(3,4)24-18(11)16/h5-10,12,20,23-25H,1-4H3/t12-,20+/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor in IL-1beta-stimulated human HepG2 cells assessed as inhibition of AP1 response element-induced I...


Bioorg Med Chem Lett 21: 168-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.047
BindingDB Entry DOI: 10.7270/Q2VX0GRB
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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n/an/a 23n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor in IL-1beta-stimulated human HepG2 cells assessed as inhibition of AP1 response element-induced I...


Bioorg Med Chem Lett 21: 168-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.047
BindingDB Entry DOI: 10.7270/Q2VX0GRB
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50334051
PNG
(4-allyl-5-chloro-6-(1H-indol-7-yl)-2,2,4,8-tetrame...)
Show SMILES Cc1cc(c(Cl)c2c1NC(C)(C)C(=O)C2(C)CC=C)-c1cccc2cc[nH]c12
Show InChI InChI=1S/C24H25ClN2O/c1-6-11-24(5)18-19(25)17(16-9-7-8-15-10-12-26-21(15)16)13-14(2)20(18)27-23(3,4)22(24)28/h6-10,12-13,26-27H,1,11H2,2-5H3
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n/an/a 36n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor in IL-1beta-stimulated human HepG2 cells assessed as inhibition of AP1 response element-induced I...


Bioorg Med Chem Lett 21: 168-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.047
BindingDB Entry DOI: 10.7270/Q2VX0GRB
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50334055
PNG
(5-chloro-6-(1H-indol-7-yl)-2,2,4,4,8-pentamethyl-1...)
Show SMILES Cc1cc(c(Cl)c2c1NC(C)(C)C(O)C2(C)C)-c1cccc2cc[nH]c12
Show InChI InChI=1S/C22H25ClN2O/c1-12-11-15(14-8-6-7-13-9-10-24-19(13)14)17(23)16-18(12)25-22(4,5)20(26)21(16,2)3/h6-11,20,24-26H,1-5H3
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n/an/a 37n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor in IL-1beta-stimulated human HepG2 cells assessed as inhibition of AP1 response element-induced I...


Bioorg Med Chem Lett 21: 168-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.047
BindingDB Entry DOI: 10.7270/Q2VX0GRB
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50334048
PNG
((-)-5-chloro-6-(1H-indol-7-yl)-2,2,4,8-tetramethyl...)
Show SMILES CC1CC(C)(C)Nc2c(C)cc(c(Cl)c12)-c1cccc2cc[nH]c12 |w:1.0|
Show InChI InChI=1S/C21H23ClN2/c1-12-10-16(15-7-5-6-14-8-9-23-20(14)15)18(22)17-13(2)11-21(3,4)24-19(12)17/h5-10,13,23-24H,11H2,1-4H3
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n/an/a 59n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor in IL-1beta-stimulated human HepG2 cells assessed as inhibition of AP1 response element-induced I...


Bioorg Med Chem Lett 21: 168-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.047
BindingDB Entry DOI: 10.7270/Q2VX0GRB
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50334052
PNG
(5-chloro-6-(1H-indol-7-yl)-2,2,4,8-tetramethyl-4-(...)
Show SMILES CC(C)=CCC1(C)C(=O)C(C)(C)Nc2c(C)cc(c(Cl)c12)-c1cccc2cc[nH]c12 |(32.68,-5.02,;31.14,-5.03,;30.36,-3.7,;30.38,-6.37,;28.84,-6.39,;28.08,-7.73,;27.3,-6.39,;29.42,-8.5,;30.75,-7.73,;29.42,-10.04,;30.18,-11.37,;30.9,-9.64,;28.08,-10.81,;26.76,-10.05,;25.43,-10.83,;25.43,-12.37,;24.09,-10.06,;24.09,-8.52,;25.42,-7.75,;25.41,-6.21,;26.75,-8.51,;22.76,-7.75,;22.76,-6.2,;21.42,-5.44,;20.1,-6.21,;20.09,-7.74,;18.94,-8.78,;19.56,-10.19,;21.1,-10.03,;21.43,-8.52,)|
Show InChI InChI=1S/C26H29ClN2O/c1-15(2)10-12-26(6)20-21(27)19(18-9-7-8-17-11-13-28-23(17)18)14-16(3)22(20)29-25(4,5)24(26)30/h7-11,13-14,28-29H,12H2,1-6H3
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n/an/a 64n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor in IL-1beta-stimulated human HepG2 cells assessed as inhibition of AP1 response element-induced I...


Bioorg Med Chem Lett 21: 168-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.047
BindingDB Entry DOI: 10.7270/Q2VX0GRB
More data for this
Ligand-Target Pair