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Compile Data Set for Download or QSAR

Found 342 hits with Last Name = 'dreyer' and Initial = 'm'   
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
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50043930
PNG
(CHEMBL3356025)
Show SMILES Nc1n[nH]c2cc(ccc12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1
Show InChI InChI=1S/C19H14Cl2N4O2S/c20-13-4-8-16(21)18(10-13)28(26,27)25-14-5-1-11(2-6-14)12-3-7-15-17(9-12)23-24-19(15)22/h1-10,25H,(H3,22,23,24)
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n/an/a<1n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Inhibition of human SGK1 using fluo-5(6)-carboxyfluorescein)-RPRAATF-NH2 fluorescently labeled peptide by substrate phosphorylation assay in presence...


ACS Med Chem Lett 6: 73-8 (2015)


Article DOI: 10.1021/ml5003376
BindingDB Entry DOI: 10.7270/Q28S4RJT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50043894
PNG
(CHEMBL3356037)
Show SMILES Nc1n[nH]c2cc(ccc12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2F)cc1
Show InChI InChI=1S/C19H14ClFN4O2S/c20-13-4-8-16(21)18(10-13)28(26,27)25-14-5-1-11(2-6-14)12-3-7-15-17(9-12)23-24-19(15)22/h1-10,25H,(H3,22,23,24)
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n/an/a<1n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Inhibition of human SGK1 using fluo-5(6)-carboxyfluorescein)-RPRAATF-NH2 fluorescently labeled peptide by substrate phosphorylation assay in presence...


ACS Med Chem Lett 6: 73-8 (2015)


Article DOI: 10.1021/ml5003376
BindingDB Entry DOI: 10.7270/Q28S4RJT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50043878
PNG
(CHEMBL3356034)
Show SMILES Nc1n[nH]c2cc(ccc12)-c1ccc(NS(=O)(=O)c2cc(Br)ccc2Cl)cc1
Show InChI InChI=1S/C19H14BrClN4O2S/c20-13-4-8-16(21)18(10-13)28(26,27)25-14-5-1-11(2-6-14)12-3-7-15-17(9-12)23-24-19(15)22/h1-10,25H,(H3,22,23,24)
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Sanofi R&D

Curated by ChEMBL


Assay Description
Inhibition of human SGK1 using fluo-5(6)-carboxyfluorescein)-RPRAATF-NH2 fluorescently labeled peptide by substrate phosphorylation assay in presence...


ACS Med Chem Lett 6: 73-8 (2015)


Article DOI: 10.1021/ml5003376
BindingDB Entry DOI: 10.7270/Q28S4RJT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50043877
PNG
(CHEMBL3356033)
Show SMILES COc1ccc(Cl)c(c1)S(=O)(=O)Nc1ccc(cc1)-c1ccc2c(N)n[nH]c2c1
Show InChI InChI=1S/C20H17ClN4O3S/c1-28-15-7-9-17(21)19(11-15)29(26,27)25-14-5-2-12(3-6-14)13-4-8-16-18(10-13)23-24-20(16)22/h2-11,25H,1H3,(H3,22,23,24)
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n/an/a<1n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Inhibition of human SGK1 using fluo-5(6)-carboxyfluorescein)-RPRAATF-NH2 fluorescently labeled peptide by substrate phosphorylation assay in presence...


ACS Med Chem Lett 6: 73-8 (2015)


Article DOI: 10.1021/ml5003376
BindingDB Entry DOI: 10.7270/Q28S4RJT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50043926
PNG
(CHEMBL3356021)
Show SMILES Nc1n[nH]c2cc(ccc12)-c1ccc(NS(=O)(=O)c2cc(Cl)sc2Cl)cc1
Show InChI InChI=1S/C17H12Cl2N4O2S2/c18-15-8-14(16(19)26-15)27(24,25)23-11-4-1-9(2-5-11)10-3-6-12-13(7-10)21-22-17(12)20/h1-8,23H,(H3,20,21,22)
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Sanofi R&D

Curated by ChEMBL


Assay Description
Inhibition of human SGK1 using fluo-5(6)-carboxyfluorescein)-RPRAATF-NH2 fluorescently labeled peptide by substrate phosphorylation assay in presence...


ACS Med Chem Lett 6: 73-8 (2015)


Article DOI: 10.1021/ml5003376
BindingDB Entry DOI: 10.7270/Q28S4RJT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50043928
PNG
(CHEMBL3356023)
Show SMILES Nc1n[nH]c2cc(ccc12)-c1ccc(NS(=O)(=O)c2ccccc2Cl)cc1
Show InChI InChI=1S/C19H15ClN4O2S/c20-16-3-1-2-4-18(16)27(25,26)24-14-8-5-12(6-9-14)13-7-10-15-17(11-13)22-23-19(15)21/h1-11,24H,(H3,21,22,23)
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n/an/a<1n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Inhibition of human SGK1 using fluo-5(6)-carboxyfluorescein)-RPRAATF-NH2 fluorescently labeled peptide by substrate phosphorylation assay in presence...


ACS Med Chem Lett 6: 73-8 (2015)


Article DOI: 10.1021/ml5003376
BindingDB Entry DOI: 10.7270/Q28S4RJT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50443628
PNG
(CHEMBL3092468 | US9174993, 35 | US9221828, 35)
Show SMILES Nc1n[nH]c2nc(cnc12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2F)cc1
Show InChI InChI=1S/C17H12ClFN6O2S/c18-10-3-6-12(19)14(7-10)28(26,27)25-11-4-1-9(2-5-11)13-8-21-15-16(20)23-24-17(15)22-13/h1-8,25H,(H3,20,22,23,24)
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Sanofi R&D

Curated by ChEMBL


Assay Description
Inhibition of human SGK1 using fluo-5(6)-carboxyfluorescein)-RPRAATF-NH2 fluorescently labeled peptide by substrate phosphorylation assay in presence...


ACS Med Chem Lett 6: 73-8 (2015)


Article DOI: 10.1021/ml5003376
BindingDB Entry DOI: 10.7270/Q28S4RJT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50043934
PNG
(CHEMBL3356029)
Show SMILES Nc1n[nH]c2cc(ccc12)-c1ccc(NS(=O)(=O)c2cc(ccc2F)C(F)(F)F)cc1
Show InChI InChI=1S/C20H14F4N4O2S/c21-16-8-4-13(20(22,23)24)10-18(16)31(29,30)28-14-5-1-11(2-6-14)12-3-7-15-17(9-12)26-27-19(15)25/h1-10,28H,(H3,25,26,27)
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Sanofi R&D

Curated by ChEMBL


Assay Description
Inhibition of human SGK1 using fluo-5(6)-carboxyfluorescein)-RPRAATF-NH2 fluorescently labeled peptide by substrate phosphorylation assay in presence...


ACS Med Chem Lett 6: 73-8 (2015)


Article DOI: 10.1021/ml5003376
BindingDB Entry DOI: 10.7270/Q28S4RJT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50043935
PNG
(CHEMBL3356030)
Show SMILES Nc1n[nH]c2cc(ccc12)-c1ccc(NS(=O)(=O)c2ccccc2F)cc1
Show InChI InChI=1S/C19H15FN4O2S/c20-16-3-1-2-4-18(16)27(25,26)24-14-8-5-12(6-9-14)13-7-10-15-17(11-13)22-23-19(15)21/h1-11,24H,(H3,21,22,23)
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Sanofi R&D

Curated by ChEMBL


Assay Description
Inhibition of human SGK1 using fluo-5(6)-carboxyfluorescein)-RPRAATF-NH2 fluorescently labeled peptide by substrate phosphorylation assay in presence...


ACS Med Chem Lett 6: 73-8 (2015)


Article DOI: 10.1021/ml5003376
BindingDB Entry DOI: 10.7270/Q28S4RJT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50043937
PNG
(CHEMBL3356032)
Show SMILES Nc1n[nH]c2cc(ccc12)-c1ccc(NS(=O)(=O)c2cc(F)ccc2F)cc1
Show InChI InChI=1S/C19H14F2N4O2S/c20-13-4-8-16(21)18(10-13)28(26,27)25-14-5-1-11(2-6-14)12-3-7-15-17(9-12)23-24-19(15)22/h1-10,25H,(H3,22,23,24)
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Sanofi R&D

Curated by ChEMBL


Assay Description
Inhibition of human SGK1 using fluo-5(6)-carboxyfluorescein)-RPRAATF-NH2 fluorescently labeled peptide by substrate phosphorylation assay in presence...


ACS Med Chem Lett 6: 73-8 (2015)


Article DOI: 10.1021/ml5003376
BindingDB Entry DOI: 10.7270/Q28S4RJT
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50437671
PNG
(CHEMBL2408057)
Show SMILES CCN(CC)c1ncc(N(CC)C(=O)c2ccc(F)cc2)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(O)=O)n1 |r|
Show InChI InChI=1S/C31H37FN6O5/c1-4-36(5-2)30-33-20-26(38(6-3)28(39)22-11-13-23(32)14-12-22)27(35-30)34-25(29(40)41)19-21-9-15-24(16-10-21)43-31(42)37-17-7-8-18-37/h9-16,20,25H,4-8,17-19H2,1-3H3,(H,40,41)(H,33,34,35)/t25-/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of alpha4beta1 integrin-mediated human jurkat cell adhesion to fibronectin in absence of human serum albumin


Bioorg Med Chem Lett 23: 4370-3 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.076
BindingDB Entry DOI: 10.7270/Q22J6D91
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50437674
PNG
(CHEMBL2408066)
Show SMILES CCN(CC)c1ncc(N(CC)C(=O)N2CCOCC2)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(O)=O)n1 |r|
Show InChI InChI=1S/C29H41N7O6/c1-4-33(5-2)27-30-20-24(36(6-3)28(39)34-15-17-41-18-16-34)25(32-27)31-23(26(37)38)19-21-9-11-22(12-10-21)42-29(40)35-13-7-8-14-35/h9-12,20,23H,4-8,13-19H2,1-3H3,(H,37,38)(H,30,31,32)/t23-/m0/s1
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n/an/a 1.40n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of alpha4beta1 integrin-mediated human jurkat cell adhesion to fibronectin in absence of human serum albumin


Bioorg Med Chem Lett 23: 4370-3 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.076
BindingDB Entry DOI: 10.7270/Q22J6D91
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50437660
PNG
(CHEMBL2408058)
Show SMILES CCN(CC)c1ncc(N(CC)C(=O)c2cccs2)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(O)=O)n1 |r|
Show InChI InChI=1S/C29H36N6O5S/c1-4-33(5-2)28-30-19-23(35(6-3)26(36)24-10-9-17-41-24)25(32-28)31-22(27(37)38)18-20-11-13-21(14-12-20)40-29(39)34-15-7-8-16-34/h9-14,17,19,22H,4-8,15-16,18H2,1-3H3,(H,37,38)(H,30,31,32)/t22-/m0/s1
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n/an/a 1.60n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of alpha4beta1 integrin-mediated human jurkat cell adhesion to fibronectin in absence of human serum albumin


Bioorg Med Chem Lett 23: 4370-3 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.076
BindingDB Entry DOI: 10.7270/Q22J6D91
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50437663
PNG
(CHEMBL2408059)
Show SMILES CCN(CC)c1ncc(N(CC)C(=O)c2ccsc2)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(O)=O)n1 |r|
Show InChI InChI=1S/C29H36N6O5S/c1-4-33(5-2)28-30-18-24(35(6-3)26(36)21-13-16-41-19-21)25(32-28)31-23(27(37)38)17-20-9-11-22(12-10-20)40-29(39)34-14-7-8-15-34/h9-13,16,18-19,23H,4-8,14-15,17H2,1-3H3,(H,37,38)(H,30,31,32)/t23-/m0/s1
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n/an/a 1.80n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of alpha4beta1 integrin-mediated human jurkat cell adhesion to fibronectin in absence of human serum albumin


Bioorg Med Chem Lett 23: 4370-3 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.076
BindingDB Entry DOI: 10.7270/Q22J6D91
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50043918
PNG
(CHEMBL3356044)
Show SMILES COc1ccc(Cl)c(c1)S(=O)(=O)Nc1ccc(cc1)-c1cnc2c(N)n[nH]c2n1
Show InChI InChI=1S/C18H15ClN6O3S/c1-28-12-6-7-13(19)15(8-12)29(26,27)25-11-4-2-10(3-5-11)14-9-21-16-17(20)23-24-18(16)22-14/h2-9,25H,1H3,(H3,20,22,23,24)
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Sanofi R&D

Curated by ChEMBL


Assay Description
Inhibition of human SGK1 using fluo-5(6)-carboxyfluorescein)-RPRAATF-NH2 fluorescently labeled peptide by substrate phosphorylation assay in presence...


ACS Med Chem Lett 6: 73-8 (2015)


Article DOI: 10.1021/ml5003376
BindingDB Entry DOI: 10.7270/Q28S4RJT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50443634
PNG
(CHEMBL3092462 | US9174993, 6 | US9221828, 6)
Show SMILES Nc1n[nH]c2nc(cnc12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2F)c(F)c1
Show InChI InChI=1S/C17H11ClF2N6O2S/c18-9-2-3-10(19)14(6-9)29(27,28)26-12-4-1-8(5-11(12)20)13-7-22-15-16(21)24-25-17(15)23-13/h1-7,26H,(H3,21,23,24,25)
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Sanofi R&D

Curated by ChEMBL


Assay Description
Inhibition of human SGK1 using fluo-5(6)-carboxyfluorescein)-RPRAATF-NH2 fluorescently labeled peptide by substrate phosphorylation assay in presence...


ACS Med Chem Lett 6: 73-8 (2015)


Article DOI: 10.1021/ml5003376
BindingDB Entry DOI: 10.7270/Q28S4RJT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50443633
PNG
(CHEMBL3092463 | US9174993, 7 | US9221828, 7)
Show SMILES Nc1n[nH]c2nc(cnc12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c(F)c1
Show InChI InChI=1S/C17H11Cl2FN6O2S/c18-9-2-3-10(19)14(6-9)29(27,28)26-12-4-1-8(5-11(12)20)13-7-22-15-16(21)24-25-17(15)23-13/h1-7,26H,(H3,21,23,24,25)
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Sanofi R&D

Curated by ChEMBL


Assay Description
Inhibition of human SGK1 using fluo-5(6)-carboxyfluorescein)-RPRAATF-NH2 fluorescently labeled peptide by substrate phosphorylation assay in presence...


ACS Med Chem Lett 6: 73-8 (2015)


Article DOI: 10.1021/ml5003376
BindingDB Entry DOI: 10.7270/Q28S4RJT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50443630
PNG
(CHEMBL3092466 | US9174993, 15 | US9221828, 15)
Show SMILES Cc1n[nH]c2nc(cnc12)-c1ccc(NS(=O)(=O)c2cc(C)ccc2F)cc1
Show InChI InChI=1S/C19H16FN5O2S/c1-11-3-8-15(20)17(9-11)28(26,27)25-14-6-4-13(5-7-14)16-10-21-18-12(2)23-24-19(18)22-16/h3-10,25H,1-2H3,(H,22,23,24)
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Sanofi R&D

Curated by ChEMBL


Assay Description
Inhibition of human SGK1 using fluo-5(6)-carboxyfluorescein)-RPRAATF-NH2 fluorescently labeled peptide by substrate phosphorylation assay in presence...


ACS Med Chem Lett 6: 73-8 (2015)


Article DOI: 10.1021/ml5003376
BindingDB Entry DOI: 10.7270/Q28S4RJT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50443629
PNG
(CHEMBL3092467 | US9174993, 16 | US9221828, 16)
Show SMILES COc1ccc(Cl)c(c1)S(=O)(=O)Nc1ccc(cc1)-c1cnc2c(C)n[nH]c2n1
Show InChI InChI=1S/C19H16ClN5O3S/c1-11-18-19(24-23-11)22-16(10-21-18)12-3-5-13(6-4-12)25-29(26,27)17-9-14(28-2)7-8-15(17)20/h3-10,25H,1-2H3,(H,22,23,24)
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Sanofi R&D

Curated by ChEMBL


Assay Description
Inhibition of human SGK1 using fluo-5(6)-carboxyfluorescein)-RPRAATF-NH2 fluorescently labeled peptide by substrate phosphorylation assay in presence...


ACS Med Chem Lett 6: 73-8 (2015)


Article DOI: 10.1021/ml5003376
BindingDB Entry DOI: 10.7270/Q28S4RJT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50043929
PNG
(CHEMBL3356024)
Show SMILES Nc1n[nH]c2cc(ccc12)-c1ccc(NS(=O)(=O)c2cccc(Cl)c2Cl)cc1
Show InChI InChI=1S/C19H14Cl2N4O2S/c20-15-2-1-3-17(18(15)21)28(26,27)25-13-7-4-11(5-8-13)12-6-9-14-16(10-12)23-24-19(14)22/h1-10,25H,(H3,22,23,24)
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Sanofi R&D

Curated by ChEMBL


Assay Description
Inhibition of human SGK1 using fluo-5(6)-carboxyfluorescein)-RPRAATF-NH2 fluorescently labeled peptide by substrate phosphorylation assay in presence...


ACS Med Chem Lett 6: 73-8 (2015)


Article DOI: 10.1021/ml5003376
BindingDB Entry DOI: 10.7270/Q28S4RJT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50043933
PNG
(CHEMBL3356028)
Show SMILES Nc1n[nH]c2cc(ccc12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2C#N)cc1
Show InChI InChI=1S/C20H14ClN5O2S/c21-15-5-1-14(11-22)19(10-15)29(27,28)26-16-6-2-12(3-7-16)13-4-8-17-18(9-13)24-25-20(17)23/h1-10,26H,(H3,23,24,25)
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Sanofi R&D

Curated by ChEMBL


Assay Description
Inhibition of human SGK1 using fluo-5(6)-carboxyfluorescein)-RPRAATF-NH2 fluorescently labeled peptide by substrate phosphorylation assay in presence...


ACS Med Chem Lett 6: 73-8 (2015)


Article DOI: 10.1021/ml5003376
BindingDB Entry DOI: 10.7270/Q28S4RJT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50043873
PNG
(CHEMBL3356059 | US9174993, 11 | US9221828, 11)
Show SMILES Cc1n[nH]c2nc(cnc12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1
Show InChI InChI=1S/C18H13Cl2N5O2S/c1-10-17-18(24-23-10)22-15(9-21-17)11-2-5-13(6-3-11)25-28(26,27)16-8-12(19)4-7-14(16)20/h2-9,25H,1H3,(H,22,23,24)
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Sanofi R&D

Curated by ChEMBL


Assay Description
Inhibition of human SGK1 using fluo-5(6)-carboxyfluorescein)-RPRAATF-NH2 fluorescently labeled peptide by substrate phosphorylation assay in presence...


ACS Med Chem Lett 6: 73-8 (2015)


Article DOI: 10.1021/ml5003376
BindingDB Entry DOI: 10.7270/Q28S4RJT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50043778
PNG
(CHEMBL3356048)
Show SMILES Nc1n[nH]c2nc(cnc12)-c1ccc(NS(=O)(=O)c2cc(Cl)c(F)cc2F)cc1
Show InChI InChI=1S/C17H11ClF2N6O2S/c18-10-5-14(12(20)6-11(10)19)29(27,28)26-9-3-1-8(2-4-9)13-7-22-15-16(21)24-25-17(15)23-13/h1-7,26H,(H3,21,23,24,25)
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Sanofi R&D

Curated by ChEMBL


Assay Description
Inhibition of human SGK1 using fluo-5(6)-carboxyfluorescein)-RPRAATF-NH2 fluorescently labeled peptide by substrate phosphorylation assay in presence...


ACS Med Chem Lett 6: 73-8 (2015)


Article DOI: 10.1021/ml5003376
BindingDB Entry DOI: 10.7270/Q28S4RJT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50043779
PNG
(CHEMBL3356049)
Show SMILES Cc1ccc(F)c(c1)S(=O)(=O)Nc1ccc(cc1)-c1cnc2c(N)n[nH]c2n1
Show InChI InChI=1S/C18H15FN6O2S/c1-10-2-7-13(19)15(8-10)28(26,27)25-12-5-3-11(4-6-12)14-9-21-16-17(20)23-24-18(16)22-14/h2-9,25H,1H3,(H3,20,22,23,24)
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Sanofi R&D

Curated by ChEMBL


Assay Description
Inhibition of human SGK1 using fluo-5(6)-carboxyfluorescein)-RPRAATF-NH2 fluorescently labeled peptide by substrate phosphorylation assay in presence...


ACS Med Chem Lett 6: 73-8 (2015)


Article DOI: 10.1021/ml5003376
BindingDB Entry DOI: 10.7270/Q28S4RJT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50043780
PNG
(CHEMBL3356050)
Show SMILES COc1ccc(F)c(c1)S(=O)(=O)Nc1ccc(cc1)-c1cnc2c(N)n[nH]c2n1
Show InChI InChI=1S/C18H15FN6O3S/c1-28-12-6-7-13(19)15(8-12)29(26,27)25-11-4-2-10(3-5-11)14-9-21-16-17(20)23-24-18(16)22-14/h2-9,25H,1H3,(H3,20,22,23,24)
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Sanofi R&D

Curated by ChEMBL


Assay Description
Inhibition of human SGK1 using fluo-5(6)-carboxyfluorescein)-RPRAATF-NH2 fluorescently labeled peptide by substrate phosphorylation assay in presence...


ACS Med Chem Lett 6: 73-8 (2015)


Article DOI: 10.1021/ml5003376
BindingDB Entry DOI: 10.7270/Q28S4RJT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50043783
PNG
(CHEMBL3356053 | US9174993, 46 | US9221828, 46)
Show SMILES COc1ccc(C#N)c(c1)S(=O)(=O)Nc1ccc(cc1)-c1cnc2c(N)n[nH]c2n1
Show InChI InChI=1S/C19H15N7O3S/c1-29-14-7-4-12(9-20)16(8-14)30(27,28)26-13-5-2-11(3-6-13)15-10-22-17-18(21)24-25-19(17)23-15/h2-8,10,26H,1H3,(H3,21,23,24,25)
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Sanofi R&D

Curated by ChEMBL


Assay Description
Inhibition of human SGK1 using fluo-5(6)-carboxyfluorescein)-RPRAATF-NH2 fluorescently labeled peptide by substrate phosphorylation assay in presence...


ACS Med Chem Lett 6: 73-8 (2015)


Article DOI: 10.1021/ml5003376
BindingDB Entry DOI: 10.7270/Q28S4RJT
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50437669
PNG
(CHEMBL2408056)
Show SMILES CCN(CC)c1ncc(N(CC)C(=O)c2cccc(F)c2)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(O)=O)n1 |r|
Show InChI InChI=1S/C31H37FN6O5/c1-4-36(5-2)30-33-20-26(38(6-3)28(39)22-10-9-11-23(32)19-22)27(35-30)34-25(29(40)41)18-21-12-14-24(15-13-21)43-31(42)37-16-7-8-17-37/h9-15,19-20,25H,4-8,16-18H2,1-3H3,(H,40,41)(H,33,34,35)/t25-/m0/s1
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of alpha4beta1 integrin-mediated human jurkat cell adhesion to fibronectin in absence of human serum albumin


Bioorg Med Chem Lett 23: 4370-3 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.076
BindingDB Entry DOI: 10.7270/Q22J6D91
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50437666
PNG
(CHEMBL2408055)
Show SMILES CCN(CC)c1ncc(N(CC)C(=O)c2ccccc2F)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(O)=O)n1 |r|
Show InChI InChI=1S/C31H37FN6O5/c1-4-36(5-2)30-33-20-26(38(6-3)28(39)23-11-7-8-12-24(23)32)27(35-30)34-25(29(40)41)19-21-13-15-22(16-14-21)43-31(42)37-17-9-10-18-37/h7-8,11-16,20,25H,4-6,9-10,17-19H2,1-3H3,(H,40,41)(H,33,34,35)/t25-/m0/s1
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of alpha4beta1 integrin-mediated human jurkat cell adhesion to fibronectin in absence of human serum albumin


Bioorg Med Chem Lett 23: 4370-3 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.076
BindingDB Entry DOI: 10.7270/Q22J6D91
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50437662
PNG
(CHEMBL2408061)
Show SMILES CCN(CC)c1ncc(N(CC)C(=O)c2nccs2)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(O)=O)n1 |r|
Show InChI InChI=1S/C28H35N7O5S/c1-4-33(5-2)27-30-18-22(35(6-3)25(36)24-29-13-16-41-24)23(32-27)31-21(26(37)38)17-19-9-11-20(12-10-19)40-28(39)34-14-7-8-15-34/h9-13,16,18,21H,4-8,14-15,17H2,1-3H3,(H,37,38)(H,30,31,32)/t21-/m0/s1
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of alpha4beta1 integrin-mediated human jurkat cell adhesion to fibronectin in absence of human serum albumin


Bioorg Med Chem Lett 23: 4370-3 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.076
BindingDB Entry DOI: 10.7270/Q22J6D91
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50043874
PNG
(CHEMBL3356060 | US9174993, 13 | US9221828, 13)
Show SMILES Cc1n[nH]c2nc(cnc12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2C#N)cc1
Show InChI InChI=1S/C19H13ClN6O2S/c1-11-18-19(25-24-11)23-16(10-22-18)12-3-6-15(7-4-12)26-29(27,28)17-8-14(20)5-2-13(17)9-21/h2-8,10,26H,1H3,(H,23,24,25)
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Sanofi R&D

Curated by ChEMBL


Assay Description
Inhibition of human SGK1 using fluo-5(6)-carboxyfluorescein)-RPRAATF-NH2 fluorescently labeled peptide by substrate phosphorylation assay in presence...


ACS Med Chem Lett 6: 73-8 (2015)


Article DOI: 10.1021/ml5003376
BindingDB Entry DOI: 10.7270/Q28S4RJT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50043782
PNG
(CHEMBL3356052)
Show SMILES Cc1ccc(C#N)c(c1)S(=O)(=O)Nc1ccc(cc1)-c1cnc2c(N)n[nH]c2n1
Show InChI InChI=1S/C19H15N7O2S/c1-11-2-3-13(9-20)16(8-11)29(27,28)26-14-6-4-12(5-7-14)15-10-22-17-18(21)24-25-19(17)23-15/h2-8,10,26H,1H3,(H3,21,23,24,25)
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Sanofi R&D

Curated by ChEMBL


Assay Description
Inhibition of human SGK1 using fluo-5(6)-carboxyfluorescein)-RPRAATF-NH2 fluorescently labeled peptide by substrate phosphorylation assay in presence...


ACS Med Chem Lett 6: 73-8 (2015)


Article DOI: 10.1021/ml5003376
BindingDB Entry DOI: 10.7270/Q28S4RJT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50443636
PNG
(CHEMBL3092460 | US9174993, 1 | US9221828, 1)
Show SMILES Nc1n[nH]c2nc(cnc12)-c1ccc(NS(=O)(=O)c2cccc(Cl)c2Cl)cc1
Show InChI InChI=1S/C17H12Cl2N6O2S/c18-11-2-1-3-13(14(11)19)28(26,27)25-10-6-4-9(5-7-10)12-8-21-15-16(20)23-24-17(15)22-12/h1-8,25H,(H3,20,22,23,24)
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Sanofi R&D

Curated by ChEMBL


Assay Description
Inhibition of human SGK1 using fluo-5(6)-carboxyfluorescein)-RPRAATF-NH2 fluorescently labeled peptide by substrate phosphorylation assay in presence...


ACS Med Chem Lett 6: 73-8 (2015)


Article DOI: 10.1021/ml5003376
BindingDB Entry DOI: 10.7270/Q28S4RJT
More data for this
Ligand-Target Pair
Integrin α4β7


(Homo sapiens (Human))
BDBM50437674
PNG
(CHEMBL2408066)
Show SMILES CCN(CC)c1ncc(N(CC)C(=O)N2CCOCC2)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(O)=O)n1 |r|
Show InChI InChI=1S/C29H41N7O6/c1-4-33(5-2)27-30-20-24(36(6-3)28(39)34-15-17-41-18-16-34)25(32-27)31-23(26(37)38)19-21-9-11-22(12-10-21)42-29(40)35-13-7-8-14-35/h9-12,20,23H,4-8,13-19H2,1-3H3,(H,37,38)(H,30,31,32)/t23-/m0/s1
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of alpha4beta7 integrin-mediated human 8866 cell adhesion to MadCAM-1


Bioorg Med Chem Lett 23: 4370-3 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.076
BindingDB Entry DOI: 10.7270/Q22J6D91
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50043784
PNG
(CHEMBL3356054 | US9174993, 9 | US9221828, 9)
Show SMILES Nc1n[nH]c2nc(cnc12)-c1ccc(NS(=O)(=O)c2cccc(Cl)c2Cl)c(F)c1
Show InChI InChI=1S/C17H11Cl2FN6O2S/c18-9-2-1-3-13(14(9)19)29(27,28)26-11-5-4-8(6-10(11)20)12-7-22-15-16(21)24-25-17(15)23-12/h1-7,26H,(H3,21,23,24,25)
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Sanofi R&D

Curated by ChEMBL


Assay Description
Inhibition of human SGK1 using fluo-5(6)-carboxyfluorescein)-RPRAATF-NH2 fluorescently labeled peptide by substrate phosphorylation assay in presence...


ACS Med Chem Lett 6: 73-8 (2015)


Article DOI: 10.1021/ml5003376
BindingDB Entry DOI: 10.7270/Q28S4RJT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50443631
PNG
(CHEMBL3092465 | US9174993, 14 | US9221828, 14)
Show SMILES Cc1n[nH]c2nc(cnc12)-c1ccc(NS(=O)(=O)c2cc(C)ccc2C#N)cc1
Show InChI InChI=1S/C20H16N6O2S/c1-12-3-4-15(10-21)18(9-12)29(27,28)26-16-7-5-14(6-8-16)17-11-22-19-13(2)24-25-20(19)23-17/h3-9,11,26H,1-2H3,(H,23,24,25)
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Sanofi R&D

Curated by ChEMBL


Assay Description
Inhibition of human SGK1 using fluo-5(6)-carboxyfluorescein)-RPRAATF-NH2 fluorescently labeled peptide by substrate phosphorylation assay in presence...


ACS Med Chem Lett 6: 73-8 (2015)


Article DOI: 10.1021/ml5003376
BindingDB Entry DOI: 10.7270/Q28S4RJT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50043923
PNG
(CHEMBL3356018)
Show SMILES Nc1n[nH]c2cc(ccc12)-c1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1
Show InChI InChI=1S/C17H13BrN4O2S2/c18-15-7-8-16(25-15)26(23,24)22-12-4-1-10(2-5-12)11-3-6-13-14(9-11)20-21-17(13)19/h1-9,22H,(H3,19,20,21)
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n/an/a 3n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Inhibition of human SGK1 using fluo-5(6)-carboxyfluorescein)-RPRAATF-NH2 fluorescently labeled peptide by substrate phosphorylation assay in presence...


ACS Med Chem Lett 6: 73-8 (2015)


Article DOI: 10.1021/ml5003376
BindingDB Entry DOI: 10.7270/Q28S4RJT
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50437668
PNG
(CHEMBL2407099)
Show SMILES CCN(CC)c1ncc(N(CC)C(C)=O)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(O)=O)n1 |r|
Show InChI InChI=1S/C26H36N6O5/c1-5-30(6-2)25-27-17-22(32(7-3)18(4)33)23(29-25)28-21(24(34)35)16-19-10-12-20(13-11-19)37-26(36)31-14-8-9-15-31/h10-13,17,21H,5-9,14-16H2,1-4H3,(H,34,35)(H,27,28,29)/t21-/m0/s1
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n/an/a 3.20n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of alpha4beta1 integrin-mediated human jurkat cell adhesion to fibronectin in absence of human serum albumin


Bioorg Med Chem Lett 23: 4370-3 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.076
BindingDB Entry DOI: 10.7270/Q22J6D91
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50437665
PNG
(CHEMBL2408065)
Show SMILES CCN(CC)c1ncc(N(CC)C(=O)N2CCCCC2)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(O)=O)n1 |r|
Show InChI InChI=1S/C30H43N7O5/c1-4-34(5-2)28-31-21-25(37(6-3)29(40)35-16-8-7-9-17-35)26(33-28)32-24(27(38)39)20-22-12-14-23(15-13-22)42-30(41)36-18-10-11-19-36/h12-15,21,24H,4-11,16-20H2,1-3H3,(H,38,39)(H,31,32,33)/t24-/m0/s1
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n/an/a 3.30n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of alpha4beta1 integrin-mediated human jurkat cell adhesion to fibronectin in absence of human serum albumin


Bioorg Med Chem Lett 23: 4370-3 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.076
BindingDB Entry DOI: 10.7270/Q22J6D91
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50437673
PNG
(CHEMBL2407892)
Show SMILES CCN(CC)c1ncc(N(CC)C(=O)C(F)(F)F)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(O)=O)n1 |r|
Show InChI InChI=1S/C26H33F3N6O5/c1-4-33(5-2)24-30-16-20(35(6-3)23(38)26(27,28)29)21(32-24)31-19(22(36)37)15-17-9-11-18(12-10-17)40-25(39)34-13-7-8-14-34/h9-12,16,19H,4-8,13-15H2,1-3H3,(H,36,37)(H,30,31,32)/t19-/m0/s1
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n/an/a 3.40n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of alpha4beta1 integrin-mediated human jurkat cell adhesion to fibronectin in absence of human serum albumin


Bioorg Med Chem Lett 23: 4370-3 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.076
BindingDB Entry DOI: 10.7270/Q22J6D91
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50043878
PNG
(CHEMBL3356034)
Show SMILES Nc1n[nH]c2cc(ccc12)-c1ccc(NS(=O)(=O)c2cc(Br)ccc2Cl)cc1
Show InChI InChI=1S/C19H14BrClN4O2S/c20-13-4-8-16(21)18(10-13)28(26,27)25-14-5-1-11(2-6-14)12-3-7-15-17(9-12)23-24-19(15)22/h1-10,25H,(H3,22,23,24)
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n/an/a 4n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Inhibition of human SGK1 using fluo-5(6)-carboxyfluorescein)-RPRAATF-NH2 fluorescently labeled peptide by substrate phosphorylation assay in presence...


ACS Med Chem Lett 6: 73-8 (2015)


Article DOI: 10.1021/ml5003376
BindingDB Entry DOI: 10.7270/Q28S4RJT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50043780
PNG
(CHEMBL3356050)
Show SMILES COc1ccc(F)c(c1)S(=O)(=O)Nc1ccc(cc1)-c1cnc2c(N)n[nH]c2n1
Show InChI InChI=1S/C18H15FN6O3S/c1-28-12-6-7-13(19)15(8-12)29(26,27)25-11-4-2-10(3-5-11)14-9-21-16-17(20)23-24-18(16)22-14/h2-9,25H,1H3,(H3,20,22,23,24)
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n/an/a 4n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Inhibition of human SGK1 using fluo-5(6)-carboxyfluorescein)-RPRAATF-NH2 fluorescently labeled peptide by substrate phosphorylation assay in presence...


ACS Med Chem Lett 6: 73-8 (2015)


Article DOI: 10.1021/ml5003376
BindingDB Entry DOI: 10.7270/Q28S4RJT
More data for this
Ligand-Target Pair
Integrin α4β7


(Homo sapiens (Human))
BDBM50437675
PNG
(CHEMBL2408062)
Show SMILES CCN(CC)c1ncc(N(CC)C(=O)c2ccccn2)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(O)=O)n1 |r|
Show InChI InChI=1S/C30H37N7O5/c1-4-35(5-2)29-32-20-25(37(6-3)27(38)23-11-7-8-16-31-23)26(34-29)33-24(28(39)40)19-21-12-14-22(15-13-21)42-30(41)36-17-9-10-18-36/h7-8,11-16,20,24H,4-6,9-10,17-19H2,1-3H3,(H,39,40)(H,32,33,34)/t24-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of alpha4beta7 integrin-mediated human 8866 cell adhesion to MadCAM-1


Bioorg Med Chem Lett 23: 4370-3 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.076
BindingDB Entry DOI: 10.7270/Q22J6D91
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50443632
PNG
(CHEMBL3092464 | US9174993, 12 | US9221828, 12)
Show SMILES Cc1n[nH]c2nc(cnc12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2F)cc1
Show InChI InChI=1S/C18H13ClFN5O2S/c1-10-17-18(24-23-10)22-15(9-21-17)11-2-5-13(6-3-11)25-28(26,27)16-8-12(19)4-7-14(16)20/h2-9,25H,1H3,(H,22,23,24)
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n/an/a 4n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Inhibition of human SGK1 using fluo-5(6)-carboxyfluorescein)-RPRAATF-NH2 fluorescently labeled peptide by substrate phosphorylation assay in presence...


ACS Med Chem Lett 6: 73-8 (2015)


Article DOI: 10.1021/ml5003376
BindingDB Entry DOI: 10.7270/Q28S4RJT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50043896
PNG
(CHEMBL3356039)
Show SMILES Nc1n[nH]c2nc(cnc12)-c1ccc(NS(=O)(=O)c2cc(Cl)sc2Cl)cc1
Show InChI InChI=1S/C15H10Cl2N6O2S2/c16-11-5-10(13(17)26-11)27(24,25)23-8-3-1-7(2-4-8)9-6-19-12-14(18)21-22-15(12)20-9/h1-6,23H,(H3,18,20,21,22)
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n/an/a 4n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Inhibition of human SGK1 using fluo-5(6)-carboxyfluorescein)-RPRAATF-NH2 fluorescently labeled peptide by substrate phosphorylation assay in presence...


ACS Med Chem Lett 6: 73-8 (2015)


Article DOI: 10.1021/ml5003376
BindingDB Entry DOI: 10.7270/Q28S4RJT
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50437672
PNG
(CHEMBL2408060)
Show SMILES CCN(CC)c1ncc(N(CC)C(=O)c2ccoc2)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(O)=O)n1 |r|
Show InChI InChI=1S/C29H36N6O6/c1-4-33(5-2)28-30-18-24(35(6-3)26(36)21-13-16-40-19-21)25(32-28)31-23(27(37)38)17-20-9-11-22(12-10-20)41-29(39)34-14-7-8-15-34/h9-13,16,18-19,23H,4-8,14-15,17H2,1-3H3,(H,37,38)(H,30,31,32)/t23-/m0/s1
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n/an/a 4.70n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of alpha4beta1 integrin-mediated human jurkat cell adhesion to fibronectin in absence of human serum albumin


Bioorg Med Chem Lett 23: 4370-3 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.076
BindingDB Entry DOI: 10.7270/Q22J6D91
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50338194
PNG
((2S)-3-(4-(dimethylcarbamoyloxy)phenyl)-2-(2-(ethy...)
Show SMILES CCCN(CC)c1ncc(c(N[C@@H](Cc2ccc(OC(=O)N(C)C)cc2)C(O)=O)n1)-c1ccccc1C |r|
Show InChI InChI=1S/C28H35N5O4/c1-6-16-33(7-2)27-29-18-23(22-11-9-8-10-19(22)3)25(31-27)30-24(26(34)35)17-20-12-14-21(15-13-20)37-28(36)32(4)5/h8-15,18,24H,6-7,16-17H2,1-5H3,(H,34,35)(H,29,30,31)/t24-/m0/s1
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n/an/a 4.90n/an/an/an/an/an/a



Elan Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of integrin alpha4beta1-mediated Jurkat cell adhesion to VCAM-1 by FACS analysis


Bioorg Med Chem Lett 21: 1741-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.075
BindingDB Entry DOI: 10.7270/Q2N58NM6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50043880
PNG
(CHEMBL3356036)
Show SMILES Nc1n[nH]c2cc(ccc12)-c1ccc(NS(=O)(=O)c2cccc(Cl)c2F)cc1
Show InChI InChI=1S/C19H14ClFN4O2S/c20-15-2-1-3-17(18(15)21)28(26,27)25-13-7-4-11(5-8-13)12-6-9-14-16(10-12)23-24-19(14)22/h1-10,25H,(H3,22,23,24)
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n/an/a<5n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Inhibition of human SGK1 using fluo-5(6)-carboxyfluorescein)-RPRAATF-NH2 fluorescently labeled peptide by substrate phosphorylation assay in presence...


ACS Med Chem Lett 6: 73-8 (2015)


Article DOI: 10.1021/ml5003376
BindingDB Entry DOI: 10.7270/Q28S4RJT
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50338182
PNG
((2S)-3-(4-(dimethylcarbamoyloxy)phenyl)-2-(5-(3-me...)
Show SMILES CN(C)C(=O)Oc1ccc(C[C@H](Nc2ncncc2-c2sccc2C)C(O)=O)cc1 |r|
Show InChI InChI=1S/C21H22N4O4S/c1-13-8-9-30-18(13)16-11-22-12-23-19(16)24-17(20(26)27)10-14-4-6-15(7-5-14)29-21(28)25(2)3/h4-9,11-12,17H,10H2,1-3H3,(H,26,27)(H,22,23,24)/t17-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Elan Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of integrin alpha4beta1-mediated Jurkat cell adhesion to VCAM-1 by FACS analysis


Bioorg Med Chem Lett 21: 1741-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.075
BindingDB Entry DOI: 10.7270/Q2N58NM6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50443635
PNG
(CHEMBL3092461 | US9174993, 5 | US9221828, 5)
Show SMILES Nc1n[nH]c2nc(cnc12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1
Show InChI InChI=1S/C17H12Cl2N6O2S/c18-10-3-6-12(19)14(7-10)28(26,27)25-11-4-1-9(2-5-11)13-8-21-15-16(20)23-24-17(15)22-13/h1-8,25H,(H3,20,22,23,24)
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n/an/a 5n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Inhibition of human SGK1 using fluo-5(6)-carboxyfluorescein)-RPRAATF-NH2 fluorescently labeled peptide by substrate phosphorylation assay in presence...


ACS Med Chem Lett 6: 73-8 (2015)


Article DOI: 10.1021/ml5003376
BindingDB Entry DOI: 10.7270/Q28S4RJT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50043879
PNG
(CHEMBL3356035)
Show SMILES Nc1n[nH]c2cc(ccc12)-c1ccc(NS(=O)(=O)c2cc(Br)ccc2F)cc1
Show InChI InChI=1S/C19H14BrFN4O2S/c20-13-4-8-16(21)18(10-13)28(26,27)25-14-5-1-11(2-6-14)12-3-7-15-17(9-12)23-24-19(15)22/h1-10,25H,(H3,22,23,24)
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n/an/a<5n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Inhibition of human SGK1 using fluo-5(6)-carboxyfluorescein)-RPRAATF-NH2 fluorescently labeled peptide by substrate phosphorylation assay in presence...


ACS Med Chem Lett 6: 73-8 (2015)


Article DOI: 10.1021/ml5003376
BindingDB Entry DOI: 10.7270/Q28S4RJT
More data for this
Ligand-Target Pair
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