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Compile Data Set for Download or QSAR

Found 966 hits with Last Name = 'dyke' and Initial = 'hj'   
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
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50193995
PNG
(3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...)
Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1
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0.240n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK3 kinase domain using FITC-KGGEEEEYFELVKK as substrate by peptide mobility shift assay


J Med Chem 55: 5901-21 (2012)


Article DOI: 10.1021/jm300438j
BindingDB Entry DOI: 10.7270/Q2DV1KZX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50391993
PNG
(CHEMBL2152297)
Show SMILES C[C@@H]1CCN(C[C@@H]1n1cnc2cnc3[nH]ccc3c12)C(=O)CC#N |r|
Show InChI InChI=1S/C17H18N6O/c1-11-4-7-22(15(24)2-5-18)9-14(11)23-10-21-13-8-20-17-12(16(13)23)3-6-19-17/h3,6,8,10-11,14H,2,4,7,9H2,1H3,(H,19,20)/t11-,14+/m1/s1
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0.300n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of JAK2


J Med Chem 55: 5901-21 (2012)


Article DOI: 10.1021/jm300438j
BindingDB Entry DOI: 10.7270/Q2DV1KZX
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50372966
PNG
(CHEMBL270668)
Show SMILES COCCOC[C@@]12CN(CCC1=Cc1c(C2)cnn1-c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 |c:12|
Show InChI InChI=1S/C27H30FN3O4S/c1-20-3-9-25(10-4-20)36(32,33)30-12-11-22-15-26-21(16-27(22,18-30)19-35-14-13-34-2)17-29-31(26)24-7-5-23(28)6-8-24/h3-10,15,17H,11-14,16,18-19H2,1-2H3/t27-/m1/s1
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0.300n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant GR


Bioorg Med Chem Lett 18: 1312-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.027
BindingDB Entry DOI: 10.7270/Q22Z16CP
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50391996
PNG
(CHEMBL2152300)
Show SMILES O=C(CC#N)N1CCC[C@H](C1)n1cnc2cnc3[nH]ccc3c12 |r|
Show InChI InChI=1S/C16H16N6O/c17-5-3-14(23)21-7-1-2-11(9-21)22-10-20-13-8-19-16-12(15(13)22)4-6-18-16/h4,6,8,10-11H,1-3,7,9H2,(H,18,19)/t11-/m1/s1
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0.400n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of JAK1


J Med Chem 55: 5901-21 (2012)


Article DOI: 10.1021/jm300438j
BindingDB Entry DOI: 10.7270/Q2DV1KZX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50391996
PNG
(CHEMBL2152300)
Show SMILES O=C(CC#N)N1CCC[C@H](C1)n1cnc2cnc3[nH]ccc3c12 |r|
Show InChI InChI=1S/C16H16N6O/c17-5-3-14(23)21-7-1-2-11(9-21)22-10-20-13-8-19-16-12(15(13)22)4-6-18-16/h4,6,8,10-11H,1-3,7,9H2,(H,18,19)/t11-/m1/s1
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0.400n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin)


Bioorg Med Chem Lett 23: 3592-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.018
BindingDB Entry DOI: 10.7270/Q2GH9KB2
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM18627
PNG
((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20|
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/t24-,25+,26-,28-,29-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human glucocorticoid receptor expressed in recombinant baculovirus


Bioorg Med Chem Lett 17: 5704-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.055
BindingDB Entry DOI: 10.7270/Q2FX7B8B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50193995
PNG
(3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...)
Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1
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0.400n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of JAK3


J Med Chem 55: 5901-21 (2012)


Article DOI: 10.1021/jm300438j
BindingDB Entry DOI: 10.7270/Q2DV1KZX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM18627
PNG
((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20|
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/t24-,25+,26-,28-,29-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant GR


Bioorg Med Chem Lett 18: 1312-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.027
BindingDB Entry DOI: 10.7270/Q22Z16CP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50391993
PNG
(CHEMBL2152297)
Show SMILES C[C@@H]1CCN(C[C@@H]1n1cnc2cnc3[nH]ccc3c12)C(=O)CC#N |r|
Show InChI InChI=1S/C17H18N6O/c1-11-4-7-22(15(24)2-5-18)9-14(11)23-10-21-13-8-20-17-12(16(13)23)3-6-19-17/h3,6,8,10-11,14H,2,4,7,9H2,1H3,(H,19,20)/t11-,14+/m1/s1
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0.5n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of JAK1


J Med Chem 55: 5901-21 (2012)


Article DOI: 10.1021/jm300438j
BindingDB Entry DOI: 10.7270/Q2DV1KZX
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50372977
PNG
(CHEMBL255369)
Show SMILES COC[C@@]12CN(CCC1=Cc1c(C2)cnn1-c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 |c:9|
Show InChI InChI=1S/C25H26FN3O3S/c1-18-3-9-23(10-4-18)33(30,31)28-12-11-20-13-24-19(14-25(20,16-28)17-32-2)15-27-29(24)22-7-5-21(26)6-8-22/h3-10,13,15H,11-12,14,16-17H2,1-2H3/t25-/m1/s1
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0.5n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant GR


Bioorg Med Chem Lett 18: 1312-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.027
BindingDB Entry DOI: 10.7270/Q22Z16CP
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50372975
PNG
(CHEMBL270667)
Show SMILES COCCOC[C@@]12CN(CCC1=Cc1c(C2)cnn1-c1ccc(F)cc1)S(=O)(=O)c1ccccc1 |c:12|
Show InChI InChI=1S/C26H28FN3O4S/c1-33-13-14-34-19-26-16-20-17-28-30(23-9-7-22(27)8-10-23)25(20)15-21(26)11-12-29(18-26)35(31,32)24-5-3-2-4-6-24/h2-10,15,17H,11-14,16,18-19H2,1H3/t26-/m1/s1
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0.5n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant GR


Bioorg Med Chem Lett 18: 1312-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.027
BindingDB Entry DOI: 10.7270/Q22Z16CP
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50113780
PNG
((2R,4aS,10aR)-4a-benzyl-2-(prop-1-ynyl)-1,2,3,4,4a...)
Show SMILES CC#C[C@@]1(O)CC[C@]2(Cc3ccccc3)[C@H](CCc3cc(O)ccc23)C1
Show InChI InChI=1S/C24H26O2/c1-2-12-23(26)13-14-24(16-18-6-4-3-5-7-18)20(17-23)9-8-19-15-21(25)10-11-22(19)24/h3-7,10-11,15,20,25-26H,8-9,13-14,16-17H2,1H3/t20-,23-,24+/m1/s1
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0.600n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human glucocorticoid receptor expressed in recombinant baculovirus


Bioorg Med Chem Lett 17: 5704-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.055
BindingDB Entry DOI: 10.7270/Q2FX7B8B
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50392011
PNG
(CHEMBL2152401)
Show SMILES N#CCCN1CCC(CC1)n1cnc2cnc3[nH]ccc3c12
Show InChI InChI=1S/C16H18N6/c17-5-1-7-21-8-3-12(4-9-21)22-11-20-14-10-19-16-13(15(14)22)2-6-18-16/h2,6,10-12H,1,3-4,7-9H2,(H,18,19)
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0.600n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of JAK1


J Med Chem 55: 5901-21 (2012)


Article DOI: 10.1021/jm300438j
BindingDB Entry DOI: 10.7270/Q2DV1KZX
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50372974
PNG
(CHEMBL270575)
Show SMILES COCCOC[C@@]12CN(CCC1=Cc1c(C2)cnn1-c1ccc(F)cc1)S(=O)(=O)c1ccc(cc1)C(C)(C)C |c:12|
Show InChI InChI=1S/C30H36FN3O4S/c1-29(2,3)23-5-11-27(12-6-23)39(35,36)33-14-13-24-17-28-22(18-30(24,20-33)21-38-16-15-37-4)19-32-34(28)26-9-7-25(31)8-10-26/h5-12,17,19H,13-16,18,20-21H2,1-4H3/t30-/m1/s1
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0.600n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at GR in SW1353/MMTV5 cells assessed as inhibition of dexamethasone-induced luciferase expression


Bioorg Med Chem Lett 18: 1312-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.027
BindingDB Entry DOI: 10.7270/Q22Z16CP
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50372937
PNG
(CHEMBL257461)
Show SMILES Fc1ccc(cc1)-n1ncc2C[C@]3(CN4CCOCC4)CN(CCC3=Cc12)S(=O)(=O)c1ccccc1 |c:27|
Show InChI InChI=1S/C27H29FN4O3S/c28-23-6-8-24(9-7-23)32-26-16-22-10-11-31(36(33,34)25-4-2-1-3-5-25)20-27(22,17-21(26)18-29-32)19-30-12-14-35-15-13-30/h1-9,16,18H,10-15,17,19-20H2/t27-/m0/s1
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0.600n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant GR


Bioorg Med Chem Lett 18: 1312-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.027
BindingDB Entry DOI: 10.7270/Q22Z16CP
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50372965
PNG
(CHEMBL442803)
Show SMILES COCCOC[C@@]12CN(CCC1=Cc1c(C2)cnn1-c1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1 |c:12|
Show InChI InChI=1S/C26H27F2N3O4S/c1-34-12-13-35-18-26-15-19-16-29-31(23-6-2-21(27)3-7-23)25(19)14-20(26)10-11-30(17-26)36(32,33)24-8-4-22(28)5-9-24/h2-9,14,16H,10-13,15,17-18H2,1H3/t26-/m1/s1
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0.600n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant GR


Bioorg Med Chem Lett 18: 1312-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.027
BindingDB Entry DOI: 10.7270/Q22Z16CP
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50193995
PNG
(3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...)
Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1
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0.680n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged JAK1 using 5-FAM-KKSRGDYMTMQIG as substrate by peptide mobility shift assay


J Med Chem 55: 5901-21 (2012)


Article DOI: 10.1021/jm300438j
BindingDB Entry DOI: 10.7270/Q2DV1KZX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50193995
PNG
(3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...)
Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1
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0.700n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of JAK2


J Med Chem 55: 5901-21 (2012)


Article DOI: 10.1021/jm300438j
BindingDB Entry DOI: 10.7270/Q2DV1KZX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50193995
PNG
(3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...)
Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1
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0.700n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of JAK1


J Med Chem 55: 5901-21 (2012)


Article DOI: 10.1021/jm300438j
BindingDB Entry DOI: 10.7270/Q2DV1KZX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50372974
PNG
(CHEMBL270575)
Show SMILES COCCOC[C@@]12CN(CCC1=Cc1c(C2)cnn1-c1ccc(F)cc1)S(=O)(=O)c1ccc(cc1)C(C)(C)C |c:12|
Show InChI InChI=1S/C30H36FN3O4S/c1-29(2,3)23-5-11-27(12-6-23)39(35,36)33-14-13-24-17-28-22(18-30(24,20-33)21-38-16-15-37-4)19-32-34(28)26-9-7-25(31)8-10-26/h5-12,17,19H,13-16,18,20-21H2,1-4H3/t30-/m1/s1
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0.700n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant GR


Bioorg Med Chem Lett 18: 1312-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.027
BindingDB Entry DOI: 10.7270/Q22Z16CP
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50372969
PNG
(CHEMBL271428)
Show SMILES COC[C@@]12CN(CCC1=Cc1c(C2)cnn1-c1ccc(F)cc1)S(=O)(=O)c1ccc(cc1)C(F)(F)F |c:9|
Show InChI InChI=1S/C25H23F4N3O3S/c1-35-16-24-13-17-14-30-32(21-6-4-20(26)5-7-21)23(17)12-19(24)10-11-31(15-24)36(33,34)22-8-2-18(3-9-22)25(27,28)29/h2-9,12,14H,10-11,13,15-16H2,1H3/t24-/m1/s1
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0.800n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant GR


Bioorg Med Chem Lett 18: 1312-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.027
BindingDB Entry DOI: 10.7270/Q22Z16CP
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50372964
PNG
(CHEMBL270568)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCC2=Cc3c(C[C@]2(COCCO)C1)cnn3-c1ccc(F)cc1 |t:17|
Show InChI InChI=1S/C29H34FN3O4S/c1-28(2,3)22-4-10-26(11-5-22)38(35,36)32-13-12-23-16-27-21(17-29(23,19-32)20-37-15-14-34)18-31-33(27)25-8-6-24(30)7-9-25/h4-11,16,18,34H,12-15,17,19-20H2,1-3H3/t29-/m1/s1
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0.800n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant GR


Bioorg Med Chem Lett 18: 1312-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.027
BindingDB Entry DOI: 10.7270/Q22Z16CP
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50372931
PNG
(CHEMBL409835)
Show SMILES Fc1ccc(cc1)-n1ncc2C[C@]3(CN4CCCCC4)CN(CCC3=Cc12)S(=O)(=O)c1ccccc1 |c:27|
Show InChI InChI=1S/C28H31FN4O2S/c29-24-9-11-25(12-10-24)33-27-17-23-13-16-32(36(34,35)26-7-3-1-4-8-26)21-28(23,18-22(27)19-30-33)20-31-14-5-2-6-15-31/h1,3-4,7-12,17,19H,2,5-6,13-16,18,20-21H2/t28-/m0/s1
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0.800n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant GR


Bioorg Med Chem Lett 18: 1312-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.027
BindingDB Entry DOI: 10.7270/Q22Z16CP
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50372945
PNG
(CHEMBL404183)
Show SMILES COCCCOC[C@@]12CN(CCC1=Cc1c(C2)cnn1-c1ccc(F)cc1)S(=O)(=O)c1ccc(cc1)C(C)(C)C |c:13|
Show InChI InChI=1S/C31H38FN3O4S/c1-30(2,3)24-6-12-28(13-7-24)40(36,37)34-15-14-25-18-29-23(19-31(25,21-34)22-39-17-5-16-38-4)20-33-35(29)27-10-8-26(32)9-11-27/h6-13,18,20H,5,14-17,19,21-22H2,1-4H3/t31-/m1/s1
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0.800n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant GR


Bioorg Med Chem Lett 18: 1312-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.027
BindingDB Entry DOI: 10.7270/Q22Z16CP
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50372926
PNG
(CHEMBL411852)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCC2=Cc3c(C[C@]2(COCCC#N)C1)cnn3-c1ccc(F)cc1 |t:17|
Show InChI InChI=1S/C30H33FN4O3S/c1-29(2,3)23-5-11-27(12-6-23)39(36,37)34-15-13-24-17-28-22(18-30(24,20-34)21-38-16-4-14-32)19-33-35(28)26-9-7-25(31)8-10-26/h5-12,17,19H,4,13,15-16,18,20-21H2,1-3H3/t30-/m1/s1
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0.800n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant GR


Bioorg Med Chem Lett 18: 1312-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.027
BindingDB Entry DOI: 10.7270/Q22Z16CP
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50372970
PNG
(CHEMBL402893)
Show SMILES COC[C@@]12CN(CCC1=Cc1c(C2)cnn1-c1ccc(F)cc1)S(=O)(=O)c1ccc(cc1)C(C)(C)C |c:9|
Show InChI InChI=1S/C28H32FN3O3S/c1-27(2,3)21-5-11-25(12-6-21)36(33,34)31-14-13-22-15-26-20(16-28(22,18-31)19-35-4)17-30-32(26)24-9-7-23(29)8-10-24/h5-12,15,17H,13-14,16,18-19H2,1-4H3/t28-/m1/s1
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0.800n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant GR


Bioorg Med Chem Lett 18: 1312-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.027
BindingDB Entry DOI: 10.7270/Q22Z16CP
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50372976
PNG
(CHEMBL271221)
Show SMILES CCOC[C@@]12CN(CCC1=Cc1c(C2)cnn1-c1ccc(F)cc1)S(=O)(=O)c1ccc(cc1)C(C)(C)C |c:10|
Show InChI InChI=1S/C29H34FN3O3S/c1-5-36-20-29-17-21-18-31-33(25-10-8-24(30)9-11-25)27(21)16-23(29)14-15-32(19-29)37(34,35)26-12-6-22(7-13-26)28(2,3)4/h6-13,16,18H,5,14-15,17,19-20H2,1-4H3/t29-/m1/s1
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0.800n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant GR


Bioorg Med Chem Lett 18: 1312-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.027
BindingDB Entry DOI: 10.7270/Q22Z16CP
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM18627
PNG
((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20|
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/t24-,25+,26-,28-,29-/m0/s1
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0.820n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor in SW1353 cells by whole-cell binding assay


Bioorg Med Chem Lett 17: 5704-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.055
BindingDB Entry DOI: 10.7270/Q2FX7B8B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50372968
PNG
(CHEMBL271220)
Show SMILES CCOC[C@@]12CN(CCC1=Cc1c(C2)cnn1-c1ccc(F)cc1)S(=O)(=O)c1ccc(cc1)C(F)(F)F |c:10|
Show InChI InChI=1S/C26H25F4N3O3S/c1-2-36-17-25-14-18-15-31-33(22-7-5-21(27)6-8-22)24(18)13-20(25)11-12-32(16-25)37(34,35)23-9-3-19(4-10-23)26(28,29)30/h3-10,13,15H,2,11-12,14,16-17H2,1H3/t25-/m1/s1
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0.900n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant GR


Bioorg Med Chem Lett 18: 1312-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.027
BindingDB Entry DOI: 10.7270/Q22Z16CP
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50372967
PNG
(CHEMBL270879)
Show SMILES CCCOC[C@@]12CN(CCC1=Cc1c(C2)cnn1-c1ccc(F)cc1)S(=O)(=O)c1ccc(cc1)C(F)(F)F |c:11|
Show InChI InChI=1S/C27H27F4N3O3S/c1-2-13-37-18-26-15-19-16-32-34(23-7-5-22(28)6-8-23)25(19)14-21(26)11-12-33(17-26)38(35,36)24-9-3-20(4-10-24)27(29,30)31/h3-10,14,16H,2,11-13,15,17-18H2,1H3/t26-/m1/s1
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0.900n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant GR


Bioorg Med Chem Lett 18: 1312-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.027
BindingDB Entry DOI: 10.7270/Q22Z16CP
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50372918
PNG
(CHEMBL401864)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCC2=Cc3c(C[C@]2(CNCC=C)C1)cnn3-c1ccc(F)cc1 |t:17|
Show InChI InChI=1S/C30H35FN4O2S/c1-5-15-32-20-30-18-22-19-33-35(26-10-8-25(31)9-11-26)28(22)17-24(30)14-16-34(21-30)38(36,37)27-12-6-23(7-13-27)29(2,3)4/h5-13,17,19,32H,1,14-16,18,20-21H2,2-4H3/t30-/m0/s1
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0.900n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant GR


Bioorg Med Chem Lett 18: 1312-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.027
BindingDB Entry DOI: 10.7270/Q22Z16CP
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50391993
PNG
(CHEMBL2152297)
Show SMILES C[C@@H]1CCN(C[C@@H]1n1cnc2cnc3[nH]ccc3c12)C(=O)CC#N |r|
Show InChI InChI=1S/C17H18N6O/c1-11-4-7-22(15(24)2-5-18)9-14(11)23-10-21-13-8-20-17-12(16(13)23)3-6-19-17/h3,6,8,10-11,14H,2,4,7,9H2,1H3,(H,19,20)/t11-,14+/m1/s1
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0.900n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of JAK3


J Med Chem 55: 5901-21 (2012)


Article DOI: 10.1021/jm300438j
BindingDB Entry DOI: 10.7270/Q2DV1KZX
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50372929
PNG
(CHEMBL270838)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCC2=Cc3c(C[C@]2(CN2CCOCC2)C1)cnn3-c1ccc(F)cc1 |t:17|
Show InChI InChI=1S/C31H37FN4O3S/c1-30(2,3)24-4-10-28(11-5-24)40(37,38)35-13-12-25-18-29-23(20-33-36(29)27-8-6-26(32)7-9-27)19-31(25,22-35)21-34-14-16-39-17-15-34/h4-11,18,20H,12-17,19,21-22H2,1-3H3/t31-/m0/s1
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0.900n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant GR


Bioorg Med Chem Lett 18: 1312-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.027
BindingDB Entry DOI: 10.7270/Q22Z16CP
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50391990
PNG
(CHEMBL2152296)
Show SMILES CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C1)n1cnc2cnc3[nH]ccc3c12 |r|
Show InChI InChI=1S/C18H23N5O2/c1-18(2,3)25-17(24)22-11-4-5-12(8-11)23-10-21-14-9-20-16-13(15(14)23)6-7-19-16/h6-7,9-12H,4-5,8H2,1-3H3,(H,19,20)(H,22,24)/t11-,12-/m1/s1
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0.900n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of JAK1


J Med Chem 55: 5901-21 (2012)


Article DOI: 10.1021/jm300438j
BindingDB Entry DOI: 10.7270/Q2DV1KZX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50193995
PNG
(3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...)
Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1
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0.990n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK2 kinase domain using FITC-KGGEEEEYFELVKK as substrate by peptide mobility shift assay


J Med Chem 55: 5901-21 (2012)


Article DOI: 10.1021/jm300438j
BindingDB Entry DOI: 10.7270/Q2DV1KZX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50372972
PNG
(CHEMBL403172)
Show SMILES COC[C@@]12CN(CCC1=Cc1c(C2)cnn1-c1ccc(F)cc1)S(=O)(=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C24H24FN3O3S/c1-31-17-24-14-18-15-26-28(21-9-7-20(25)8-10-21)23(18)13-19(24)11-12-27(16-24)32(29,30)22-5-3-2-4-6-22/h2-10,13,15H,11-12,14,16-17H2,1H3/t24-/m1/s1
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1n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant GR


Bioorg Med Chem Lett 18: 1312-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.027
BindingDB Entry DOI: 10.7270/Q22Z16CP
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50372921
PNG
(CHEMBL270143)
Show SMILES COCCNC[C@@]12CN(CCC1=Cc1c(C2)cnn1-c1ccc(F)cc1)S(=O)(=O)c1ccc(cc1)C(C)(C)C |c:12|
Show InChI InChI=1S/C30H37FN4O3S/c1-29(2,3)23-5-11-27(12-6-23)39(36,37)34-15-13-24-17-28-22(18-30(24,21-34)20-32-14-16-38-4)19-33-35(28)26-9-7-25(31)8-10-26/h5-12,17,19,32H,13-16,18,20-21H2,1-4H3/t30-/m0/s1
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1n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant GR


Bioorg Med Chem Lett 18: 1312-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.027
BindingDB Entry DOI: 10.7270/Q22Z16CP
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50372938
PNG
(CHEMBL429913)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCC2=Cc3c(C[C@]2(CN2CCCC2)C1)cnn3-c1ccc(F)cc1 |t:17|
Show InChI InChI=1S/C31H37FN4O2S/c1-30(2,3)24-6-12-28(13-7-24)39(37,38)35-17-14-25-18-29-23(19-31(25,22-35)21-34-15-4-5-16-34)20-33-36(29)27-10-8-26(32)9-11-27/h6-13,18,20H,4-5,14-17,19,21-22H2,1-3H3/t31-/m0/s1
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1.10n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant GR


Bioorg Med Chem Lett 18: 1312-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.027
BindingDB Entry DOI: 10.7270/Q22Z16CP
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50372936
PNG
(CHEMBL257203)
Show SMILES CN(C)C[C@@]12CN(CCC1=Cc1c(C2)cnn1-c1ccc(F)cc1)S(=O)(=O)c1ccccc1 |c:10|
Show InChI InChI=1S/C25H27FN4O2S/c1-28(2)17-25-15-19-16-27-30(22-10-8-21(26)9-11-22)24(19)14-20(25)12-13-29(18-25)33(31,32)23-6-4-3-5-7-23/h3-11,14,16H,12-13,15,17-18H2,1-2H3/t25-/m0/s1
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1.10n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant GR


Bioorg Med Chem Lett 18: 1312-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.027
BindingDB Entry DOI: 10.7270/Q22Z16CP
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50372922
PNG
(CHEMBL255950)
Show SMILES CN(C)C[C@@]12CN(CCC1=Cc1c(C2)cnn1-c1ccc(F)cc1)S(=O)(=O)c1ccc(cc1)C(C)(C)C |c:10|
Show InChI InChI=1S/C29H35FN4O2S/c1-28(2,3)22-6-12-26(13-7-22)37(35,36)33-15-14-23-16-27-21(17-29(23,20-33)19-32(4)5)18-31-34(27)25-10-8-24(30)9-11-25/h6-13,16,18H,14-15,17,19-20H2,1-5H3/t29-/m0/s1
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1.20n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant GR


Bioorg Med Chem Lett 18: 1312-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.027
BindingDB Entry DOI: 10.7270/Q22Z16CP
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM18627
PNG
((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20|
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/t24-,25+,26-,28-,29-/m0/s1
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1.20n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at GR in SW1353/MMTV5 cells assessed as inhibition of dexamethasone-induced luciferase expression


Bioorg Med Chem Lett 18: 1312-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.027
BindingDB Entry DOI: 10.7270/Q22Z16CP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50372943
PNG
(CHEMBL272789)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCC2=Cc3c(C[C@]2(C)C1)cnn3-c1ccc(F)cc1 |t:17|
Show InChI InChI=1S/C27H30FN3O2S/c1-26(2,3)20-5-11-24(12-6-20)34(32,33)30-14-13-21-15-25-19(16-27(21,4)18-30)17-29-31(25)23-9-7-22(28)8-10-23/h5-12,15,17H,13-14,16,18H2,1-4H3/t27-/m1/s1
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1.20n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant GR


Bioorg Med Chem Lett 18: 1312-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.027
BindingDB Entry DOI: 10.7270/Q22Z16CP
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50372966
PNG
(CHEMBL270668)
Show SMILES COCCOC[C@@]12CN(CCC1=Cc1c(C2)cnn1-c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 |c:12|
Show InChI InChI=1S/C27H30FN3O4S/c1-20-3-9-25(10-4-20)36(32,33)30-12-11-22-15-26-21(16-27(22,18-30)19-35-14-13-34-2)17-29-31(26)24-7-5-23(28)6-8-24/h3-10,15,17H,11-14,16,18-19H2,1-2H3/t27-/m1/s1
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1.20n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at GR in SW1353/MMTV5 cells assessed as inhibition of dexamethasone-induced luciferase expression


Bioorg Med Chem Lett 18: 1312-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.027
BindingDB Entry DOI: 10.7270/Q22Z16CP
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50391996
PNG
(CHEMBL2152300)
Show SMILES O=C(CC#N)N1CCC[C@H](C1)n1cnc2cnc3[nH]ccc3c12 |r|
Show InChI InChI=1S/C16H16N6O/c17-5-3-14(23)21-7-1-2-11(9-21)22-10-20-13-8-19-16-12(15(13)22)4-6-18-16/h4,6,8,10-11H,1-3,7,9H2,(H,18,19)/t11-/m1/s1
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1.20n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Bioorg Med Chem Lett 23: 3592-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.018
BindingDB Entry DOI: 10.7270/Q2GH9KB2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50391996
PNG
(CHEMBL2152300)
Show SMILES O=C(CC#N)N1CCC[C@H](C1)n1cnc2cnc3[nH]ccc3c12 |r|
Show InChI InChI=1S/C16H16N6O/c17-5-3-14(23)21-7-1-2-11(9-21)22-10-20-13-8-19-16-12(15(13)22)4-6-18-16/h4,6,8,10-11H,1-3,7,9H2,(H,18,19)/t11-/m1/s1
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1.20n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of JAK2


J Med Chem 55: 5901-21 (2012)


Article DOI: 10.1021/jm300438j
BindingDB Entry DOI: 10.7270/Q2DV1KZX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50392008
PNG
(CHEMBL2152398)
Show SMILES CS(=O)(=O)N1CCC(CC1)n1cnc2cnc3[nH]ccc3c12
Show InChI InChI=1S/C14H17N5O2S/c1-22(20,21)18-6-3-10(4-7-18)19-9-17-12-8-16-14-11(13(12)19)2-5-15-14/h2,5,8-10H,3-4,6-7H2,1H3,(H,15,16)
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1.20n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of JAK1


J Med Chem 55: 5901-21 (2012)


Article DOI: 10.1021/jm300438j
BindingDB Entry DOI: 10.7270/Q2DV1KZX
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM18627
PNG
((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20|
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/t24-,25+,26-,28-,29-/m0/s1
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1.20n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human glucocorticoid receptor in SW1353 cells assessed as inhibition of dexamethasone-induced luciferase expression by MMTV5 r...


Bioorg Med Chem Lett 17: 5704-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.055
BindingDB Entry DOI: 10.7270/Q2FX7B8B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50372963
PNG
(CHEMBL270588)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCC2=Cc3c(CC2(Cc2ccc(F)cc2)C1)cnn3-c1ccc(F)cc1 |w:21.23,t:17|
Show InChI InChI=1S/C33H33F2N3O2S/c1-32(2,3)25-6-14-30(15-7-25)41(39,40)37-17-16-26-18-31-24(21-36-38(31)29-12-10-28(35)11-13-29)20-33(26,22-37)19-23-4-8-27(34)9-5-23/h4-15,18,21H,16-17,19-20,22H2,1-3H3
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1.30n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant GR


Bioorg Med Chem Lett 18: 1312-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.027
BindingDB Entry DOI: 10.7270/Q22Z16CP
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50372959
PNG
(CHEMBL402351)
Show SMILES Fc1ccc(CC23CN(CCC2=Cc2c(C3)cnn2-c2ccc(F)cc2)S(=O)(=O)c2ccc(cc2)N2CCOCC2)cc1 |w:6.5,c:12|
Show InChI InChI=1S/C33H32F2N4O3S/c34-27-3-1-24(2-4-27)20-33-21-25-22-36-39(30-7-5-28(35)6-8-30)32(25)19-26(33)13-14-38(23-33)43(40,41)31-11-9-29(10-12-31)37-15-17-42-18-16-37/h1-12,19,22H,13-18,20-21,23H2
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1.30n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant GR


Bioorg Med Chem Lett 18: 1312-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.027
BindingDB Entry DOI: 10.7270/Q22Z16CP
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50372933
PNG
(CHEMBL403179)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCC2=Cc3c(C[C@]2(CN2CCC2)C1)cnn3-c1ccc(F)cc1 |t:17|
Show InChI InChI=1S/C30H35FN4O2S/c1-29(2,3)23-5-11-27(12-6-23)38(36,37)34-16-13-24-17-28-22(18-30(24,21-34)20-33-14-4-15-33)19-32-35(28)26-9-7-25(31)8-10-26/h5-12,17,19H,4,13-16,18,20-21H2,1-3H3/t30-/m0/s1
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1.40n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant GR


Bioorg Med Chem Lett 18: 1312-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.027
BindingDB Entry DOI: 10.7270/Q22Z16CP
More data for this
Ligand-Target Pair
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