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Compile Data Set for Download or QSAR

Found 148 hits with Last Name = 'gokhale' and Initial = 'v'   
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
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM223480
PNG
(US9320734, PtdIns(3,4,5)trisphosphate)
Show SMILES CCCCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OC1[C@H](O)[C@H](OP([O-])([O-])=O)C(OP([O-])([O-])=O)[C@H](OP([O-])([O-])=O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC
Show InChI InChI=1S/C41H82O22P4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)57-31-33(59-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)32-58-67(55,56)63-38-36(44)39(60-64(46,47)48)41(62-66(52,53)54)40(37(38)45)61-65(49,50)51/h33,36-41,44-45H,3-32H2,1-2H3,(H,55,56)(H2,46,47,48)(H2,49,50,51)(H2,52,53,54)/p-7/t33?,36-,37-,38?,39-,40+,41?/m0/s1
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260n/an/an/an/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
SPR interaction analyses were performed with a Biacore 2000, using Biacore 2000 Control Software v3.2 and BIAevaluation v4.1 analysis software (Biaco...


US Patent US9320734 (2016)


BindingDB Entry DOI: 10.7270/Q2QF8RRM
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM50304369
PNG
(4-dodecyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonam...)
Show SMILES CCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)Nc1nncs1
Show InChI InChI=1S/C20H31N3O2S2/c1-2-3-4-5-6-7-8-9-10-11-12-18-13-15-19(16-14-18)27(24,25)23-20-22-21-17-26-20/h13-17H,2-12H2,1H3,(H,22,23)
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2.40E+3n/an/an/an/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
SPR interaction analyses were performed with a Biacore 2000, using Biacore 2000 Control Software v3.2 and BIAevaluation v4.1 analysis software (Biaco...


US Patent US9320734 (2016)


BindingDB Entry DOI: 10.7270/Q2QF8RRM
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM50304369
PNG
(4-dodecyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonam...)
Show SMILES CCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)Nc1nncs1
Show InChI InChI=1S/C20H31N3O2S2/c1-2-3-4-5-6-7-8-9-10-11-12-18-13-15-19(16-14-18)27(24,25)23-20-22-21-17-26-20/h13-17H,2-12H2,1H3,(H,22,23)
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2.40E+3n/an/an/an/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
SPR interaction analyses were performed with a Biacore 2000, using Biacore 2000 Control Software v3.2 and BIAevaluation v4.1 analysis software (Biaco...


US Patent US9320734 (2016)


BindingDB Entry DOI: 10.7270/Q2QF8RRM
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM50338949
PNG
(4-Tetradecyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfo...)
Show SMILES CCCCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)Nc1nncs1
Show InChI InChI=1S/C22H35N3O2S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-15-17-21(18-16-20)29(26,27)25-22-24-23-19-28-22/h15-19H,2-14H2,1H3,(H,24,25)
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6.70E+3n/an/an/an/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
SPR interaction analyses were performed with a Biacore 2000, using Biacore 2000 Control Software v3.2 and BIAevaluation v4.1 analysis software (Biaco...


US Patent US9320734 (2016)


BindingDB Entry DOI: 10.7270/Q2QF8RRM
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM50338950
PNG
(4-Hexadecyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfon...)
Show SMILES CCCCCCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)Nc1nncs1
Show InChI InChI=1S/C24H39N3O2S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-17-19-23(20-18-22)31(28,29)27-24-26-25-21-30-24/h17-21H,2-16H2,1H3,(H,26,27)
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6.90E+3n/an/an/an/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
SPR interaction analyses were performed with a Biacore 2000, using Biacore 2000 Control Software v3.2 and BIAevaluation v4.1 analysis software (Biaco...


US Patent US9320734 (2016)


BindingDB Entry DOI: 10.7270/Q2QF8RRM
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM50338948
PNG
(4-Octyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamid...)
Show SMILES CCCCCCCCc1ccc(cc1)S(=O)(=O)Nc1nncs1
Show InChI InChI=1S/C16H23N3O2S2/c1-2-3-4-5-6-7-8-14-9-11-15(12-10-14)23(20,21)19-16-18-17-13-22-16/h9-13H,2-8H2,1H3,(H,18,19)
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8.40E+3n/an/an/an/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
SPR interaction analyses were performed with a Biacore 2000, using Biacore 2000 Control Software v3.2 and BIAevaluation v4.1 analysis software (Biaco...


US Patent US9320734 (2016)


BindingDB Entry DOI: 10.7270/Q2QF8RRM
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM50338951
PNG
(4-Octadecyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfon...)
Show SMILES CCCCCCCCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)Nc1nncs1
Show InChI InChI=1S/C26H43N3O2S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-19-21-25(22-20-24)33(30,31)29-26-28-27-23-32-26/h19-23H,2-18H2,1H3,(H,28,29)
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1.14E+4n/an/an/an/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
SPR interaction analyses were performed with a Biacore 2000, using Biacore 2000 Control Software v3.2 and BIAevaluation v4.1 analysis software (Biaco...


US Patent US9320734 (2016)


BindingDB Entry DOI: 10.7270/Q2QF8RRM
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM50304368
PNG
(CHEMBL595582 | N-(4-(N-1,3,4-thiadiazol-2-ylsulfam...)
Show SMILES CCCCCCCCCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nncs1
Show InChI InChI=1S/C18H26N4O3S2/c1-2-3-4-5-6-7-8-9-17(23)20-15-10-12-16(13-11-15)27(24,25)22-18-21-19-14-26-18/h10-14H,2-9H2,1H3,(H,20,23)(H,21,22)
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2.18E+4n/an/an/an/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
SPR interaction analyses were performed with a Biacore 2000, using Biacore 2000 Control Software v3.2 and BIAevaluation v4.1 analysis software (Biaco...


US Patent US9320734 (2016)


BindingDB Entry DOI: 10.7270/Q2QF8RRM
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM50338947
PNG
(4-Hexyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamid...)
Show SMILES CCCCCCc1ccc(cc1)S(=O)(=O)Nc1nncs1
Show InChI InChI=1S/C14H19N3O2S2/c1-2-3-4-5-6-12-7-9-13(10-8-12)21(18,19)17-14-16-15-11-20-14/h7-11H,2-6H2,1H3,(H,16,17)
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>5.00E+4n/an/an/an/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
SPR interaction analyses were performed with a Biacore 2000, using Biacore 2000 Control Software v3.2 and BIAevaluation v4.1 analysis software (Biaco...


US Patent US9320734 (2016)


BindingDB Entry DOI: 10.7270/Q2QF8RRM
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM50304371
PNG
(CHEMBL611216 | N-(4-(N-1,3,4-thiadiazol-2-ylsulfam...)
Show SMILES COCCOCCOCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nncs1
Show InChI InChI=1S/C15H20N4O6S2/c1-23-6-7-24-8-9-25-10-14(20)17-12-2-4-13(5-3-12)27(21,22)19-15-18-16-11-26-15/h2-5,11H,6-10H2,1H3,(H,17,20)(H,18,19)
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>5.00E+4n/an/an/an/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
SPR interaction analyses were performed with a Biacore 2000, using Biacore 2000 Control Software v3.2 and BIAevaluation v4.1 analysis software (Biaco...


US Patent US9320734 (2016)


BindingDB Entry DOI: 10.7270/Q2QF8RRM
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM50304370
PNG
(CHEMBL593946 | N-(4-(N-1,3,4-thiadiazol-2-ylsulfam...)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nncs1
Show InChI InChI=1S/C10H10N4O3S2/c1-7(15)12-8-2-4-9(5-3-8)19(16,17)14-10-13-11-6-18-10/h2-6H,1H3,(H,12,15)(H,13,14)
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>5.00E+4n/an/an/an/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
SPR interaction analyses were performed with a Biacore 2000, using Biacore 2000 Control Software v3.2 and BIAevaluation v4.1 analysis software (Biaco...


US Patent US9320734 (2016)


BindingDB Entry DOI: 10.7270/Q2QF8RRM
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM50034417
PNG
(4-Amino-N-[1,3,4]thiadiazol-2-yl-benzenesulfonamid...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1nncs1
Show InChI InChI=1S/C8H8N4O2S2/c9-6-1-3-7(4-2-6)16(13,14)12-8-11-10-5-15-8/h1-5H,9H2,(H,11,12)
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>5.00E+4n/an/an/an/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
SPR interaction analyses were performed with a Biacore 2000, using Biacore 2000 Control Software v3.2 and BIAevaluation v4.1 analysis software (Biaco...


US Patent US9320734 (2016)


BindingDB Entry DOI: 10.7270/Q2QF8RRM
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM50338946
PNG
(4-Butyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamid...)
Show SMILES CCCCc1ccc(cc1)S(=O)(=O)Nc1nncs1
Show InChI InChI=1S/C12H15N3O2S2/c1-2-3-4-10-5-7-11(8-6-10)19(16,17)15-12-14-13-9-18-12/h5-9H,2-4H2,1H3,(H,14,15)
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>5.00E+4n/an/an/an/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
SPR interaction analyses were performed with a Biacore 2000, using Biacore 2000 Control Software v3.2 and BIAevaluation v4.1 analysis software (Biaco...


US Patent US9320734 (2016)


BindingDB Entry DOI: 10.7270/Q2QF8RRM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50308764
PNG
(4-(3,4-Difluorophenyl)-N-(4-methyl-3-(3-methyl-4-o...)
Show SMILES Cc1ccc(NC(=O)c2[nH]c(nc2-c2ccc(F)c(F)c2)C(F)(F)F)cc1Nc1ccc2ncn(C)c(=O)c2c1
Show InChI InChI=1S/C27H19F5N6O2/c1-13-3-5-16(11-21(13)34-15-6-8-20-17(10-15)25(40)38(2)12-33-20)35-24(39)23-22(36-26(37-23)27(30,31)32)14-4-7-18(28)19(29)9-14/h3-12,34H,1-2H3,(H,35,39)(H,36,37)
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n/an/a 11n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length p38alpha assessed as MAPKAPK2 phosphorylation by [32P]ATP SDS-PAGE gel kinase assay


Bioorg Med Chem 18: 292-304 (2010)


Article DOI: 10.1016/j.bmc.2009.10.055
BindingDB Entry DOI: 10.7270/Q2SQ90H4
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50308757
PNG
(5-(4-Fluorophenyl)-N-(4-methyl-3-(3-methyl-4-oxo-3...)
Show SMILES Cc1ccc(NC(=O)c2[nH]c(nc2-c2ccc(F)cc2)C(F)(F)F)cc1Nc1ccc2ncn(C)c(=O)c2c1
Show InChI InChI=1S/C27H20F4N6O2/c1-14-3-8-18(12-21(14)33-17-9-10-20-19(11-17)25(39)37(2)13-32-20)34-24(38)23-22(15-4-6-16(28)7-5-15)35-26(36-23)27(29,30)31/h3-13,33H,1-2H3,(H,34,38)(H,35,36)
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n/an/a 16n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length p38alpha assessed as MAPKAPK2 phosphorylation by [32P]ATP SDS-PAGE gel kinase assay


Bioorg Med Chem 18: 292-304 (2010)


Article DOI: 10.1016/j.bmc.2009.10.055
BindingDB Entry DOI: 10.7270/Q2SQ90H4
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM11639
PNG
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
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n/an/a 30n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of COX2 by fluorescence assay


Bioorg Med Chem Lett 22: 3567-70 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.013
BindingDB Entry DOI: 10.7270/Q2RB75MP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM16673
PNG
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
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n/an/a 38n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


Bioorg Med Chem 18: 292-304 (2010)


Article DOI: 10.1016/j.bmc.2009.10.055
BindingDB Entry DOI: 10.7270/Q2SQ90H4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50308758
PNG
(5-(3-Chloro-4-fluorophenyl)-N-(4-methyl-3-(3-methy...)
Show SMILES Cc1ccc(NC(=O)c2[nH]c(nc2-c2ccc(F)c(Cl)c2)C(F)(F)F)cc1Nc1ccc2ncn(C)c(=O)c2c1
Show InChI InChI=1S/C27H19ClF4N6O2/c1-13-3-5-16(11-21(13)34-15-6-8-20-17(10-15)25(40)38(2)12-33-20)35-24(39)23-22(36-26(37-23)27(30,31)32)14-4-7-19(29)18(28)9-14/h3-12,34H,1-2H3,(H,35,39)(H,36,37)
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n/an/a 49n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length p38alpha assessed as MAPKAPK2 phosphorylation by [32P]ATP SDS-PAGE gel kinase assay


Bioorg Med Chem 18: 292-304 (2010)


Article DOI: 10.1016/j.bmc.2009.10.055
BindingDB Entry DOI: 10.7270/Q2SQ90H4
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50308759
PNG
(5-(4-Fluoro-3-methylphenyl)-N-(4-methyl-3-(3-methy...)
Show SMILES Cc1ccc(NC(=O)c2[nH]c(nc2-c2ccc(F)c(C)c2)C(F)(F)F)cc1Nc1ccc2ncn(C)c(=O)c2c1
Show InChI InChI=1S/C28H22F4N6O2/c1-14-4-6-18(12-22(14)34-17-7-9-21-19(11-17)26(40)38(3)13-33-21)35-25(39)24-23(36-27(37-24)28(30,31)32)16-5-8-20(29)15(2)10-16/h4-13,34H,1-3H3,(H,35,39)(H,36,37)
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n/an/a 60n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length p38alpha assessed as MAPKAPK2 phosphorylation by [32P]ATP SDS-PAGE gel kinase assay


Bioorg Med Chem 18: 292-304 (2010)


Article DOI: 10.1016/j.bmc.2009.10.055
BindingDB Entry DOI: 10.7270/Q2SQ90H4
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM16673
PNG
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
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n/an/a 84n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length p38alpha assessed as MAPKAPK2 phosphorylation by [32P]ATP SDS-PAGE gel kinase assay


Bioorg Med Chem 18: 292-304 (2010)


Article DOI: 10.1016/j.bmc.2009.10.055
BindingDB Entry DOI: 10.7270/Q2SQ90H4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50308761
PNG
(CHEMBL591673 | N-(4-Methyl-3-(3-methyl-4-oxo-3,4-d...)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc([nH]c1C(=O)Nc1ccc(C)c(Nc2ccc3ncn(C)c(=O)c3c2)c1)C(F)(F)F
Show InChI InChI=1S/C30H27F3N6O5/c1-15-6-7-18(13-21(15)35-17-8-9-20-19(12-17)28(41)39(2)14-34-20)36-27(40)25-24(37-29(38-25)30(31,32)33)16-10-22(42-3)26(44-5)23(11-16)43-4/h6-14,35H,1-5H3,(H,36,40)(H,37,38)
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n/an/a 94n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length p38alpha assessed as MAPKAPK2 phosphorylation by [32P]ATP SDS-PAGE gel kinase assay


Bioorg Med Chem 18: 292-304 (2010)


Article DOI: 10.1016/j.bmc.2009.10.055
BindingDB Entry DOI: 10.7270/Q2SQ90H4
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50308765
PNG
(2-tert-Butyl-N-(4-methyl-3-(3-methyl-4-oxo-3,4-dih...)
Show SMILES Cc1ccc(cc1)-c1nc([nH]c1C(=O)Nc1ccc(C)c(Nc2ccc3ncn(C)c(=O)c3c2)c1)C(C)(C)C
Show InChI InChI=1S/C31H32N6O2/c1-18-7-10-20(11-8-18)26-27(36-30(35-26)31(3,4)5)28(38)34-22-12-9-19(2)25(16-22)33-21-13-14-24-23(15-21)29(39)37(6)17-32-24/h7-17,33H,1-6H3,(H,34,38)(H,35,36)
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n/an/a 96n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length p38alpha assessed as MAPKAPK2 phosphorylation by [32P]ATP SDS-PAGE gel kinase assay


Bioorg Med Chem 18: 292-304 (2010)


Article DOI: 10.1016/j.bmc.2009.10.055
BindingDB Entry DOI: 10.7270/Q2SQ90H4
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50308760
PNG
(5-(3-Fluoro-4-methylphenyl)-N-(4-methyl-3-(3-methy...)
Show SMILES Cc1ccc(cc1F)-c1nc([nH]c1C(=O)Nc1ccc(C)c(Nc2ccc3ncn(C)c(=O)c3c2)c1)C(F)(F)F
Show InChI InChI=1S/C28H22F4N6O2/c1-14-4-6-16(10-20(14)29)23-24(37-27(36-23)28(30,31)32)25(39)35-18-7-5-15(2)22(12-18)34-17-8-9-21-19(11-17)26(40)38(3)13-33-21/h4-13,34H,1-3H3,(H,35,39)(H,36,37)
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n/an/a 100n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length p38alpha assessed as MAPKAPK2 phosphorylation by [32P]ATP SDS-PAGE gel kinase assay


Bioorg Med Chem 18: 292-304 (2010)


Article DOI: 10.1016/j.bmc.2009.10.055
BindingDB Entry DOI: 10.7270/Q2SQ90H4
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50308762
PNG
(CHEMBL591526 | N-(4-Methyl-3-(3-methyl-4-oxo-3,4-d...)
Show SMILES Cc1ccc(NC(=O)c2[nH]c(nc2-c2cccc(c2)C(F)(F)F)C(F)(F)F)cc1Nc1ccc2ncn(C)c(=O)c2c1
Show InChI InChI=1S/C28H20F6N6O2/c1-14-6-7-18(12-21(14)36-17-8-9-20-19(11-17)25(42)40(2)13-35-20)37-24(41)23-22(38-26(39-23)28(32,33)34)15-4-3-5-16(10-15)27(29,30)31/h3-13,36H,1-2H3,(H,37,41)(H,38,39)
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n/an/a 105n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length p38alpha assessed as MAPKAPK2 phosphorylation by [32P]ATP SDS-PAGE gel kinase assay


Bioorg Med Chem 18: 292-304 (2010)


Article DOI: 10.1016/j.bmc.2009.10.055
BindingDB Entry DOI: 10.7270/Q2SQ90H4
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50308766
PNG
(CHEMBL605404 | N-(4-Methyl-3-(3-methyl-4-oxo-3,4-d...)
Show SMILES Cc1ccc(NC(=O)c2[nH]c(nc2-c2ccccc2)-c2ccccc2)cc1Nc1ccc2ncn(C)c(=O)c2c1
Show InChI InChI=1S/C32H26N6O2/c1-20-13-14-24(18-27(20)34-23-15-16-26-25(17-23)32(40)38(2)19-33-26)35-31(39)29-28(21-9-5-3-6-10-21)36-30(37-29)22-11-7-4-8-12-22/h3-19,34H,1-2H3,(H,35,39)(H,36,37)
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n/an/a 122n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length p38alpha assessed as MAPKAPK2 phosphorylation by [32P]ATP SDS-PAGE gel kinase assay


Bioorg Med Chem 18: 292-304 (2010)


Article DOI: 10.1016/j.bmc.2009.10.055
BindingDB Entry DOI: 10.7270/Q2SQ90H4
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50308755
PNG
(CHEMBL589415 | N-(4-Methyl-3-(3-methyl-4-oxo-3,4-d...)
Show SMILES Cc1ccc(NC(=O)c2[nH]c(nc2-c2ccccc2)C(F)(F)F)cc1Nc1ccc2ncn(C)c(=O)c2c1
Show InChI InChI=1S/C27H21F3N6O2/c1-15-8-9-18(13-21(15)32-17-10-11-20-19(12-17)25(38)36(2)14-31-20)33-24(37)23-22(16-6-4-3-5-7-16)34-26(35-23)27(28,29)30/h3-14,32H,1-2H3,(H,33,37)(H,34,35)
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n/an/a 405n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length p38alpha assessed as MAPKAPK2 phosphorylation by [32P]ATP SDS-PAGE gel kinase assay


Bioorg Med Chem 18: 292-304 (2010)


Article DOI: 10.1016/j.bmc.2009.10.055
BindingDB Entry DOI: 10.7270/Q2SQ90H4
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50382181
PNG
(CHEMBL1894768 | cid_684847)
Show SMILES C1Oc2ccc(Nc3nc(cs3)-c3ccccc3)cc2O1
Show InChI InChI=1S/C16H12N2O2S/c1-2-4-11(5-3-1)13-9-21-16(18-13)17-12-6-7-14-15(8-12)20-10-19-14/h1-9H,10H2,(H,17,18)
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n/an/a 410n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of COX2 by fluorescence assay


Bioorg Med Chem Lett 22: 3567-70 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.013
BindingDB Entry DOI: 10.7270/Q2RB75MP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50308763
PNG
(CHEMBL591661 | N-(4-Methyl-3-(3-methyl-4-oxo-3,4-d...)
Show SMILES Cc1ccc(NC(=O)c2[nH]c(nc2-c2ccccc2C(F)(F)F)C(F)(F)F)cc1Nc1ccc2ncn(C)c(=O)c2c1
Show InChI InChI=1S/C28H20F6N6O2/c1-14-7-8-16(12-21(14)36-15-9-10-20-18(11-15)25(42)40(2)13-35-20)37-24(41)23-22(38-26(39-23)28(32,33)34)17-5-3-4-6-19(17)27(29,30)31/h3-13,36H,1-2H3,(H,37,41)(H,38,39)
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n/an/a 468n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length p38alpha assessed as MAPKAPK2 phosphorylation by [32P]ATP SDS-PAGE gel kinase assay


Bioorg Med Chem 18: 292-304 (2010)


Article DOI: 10.1016/j.bmc.2009.10.055
BindingDB Entry DOI: 10.7270/Q2SQ90H4
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50382182
PNG
(CHEMBL2023858)
Show SMILES COc1ccc(cc1)-c1csc(Nc2ccc(C)cc2)n1
Show InChI InChI=1S/C17H16N2OS/c1-12-3-7-14(8-4-12)18-17-19-16(11-21-17)13-5-9-15(20-2)10-6-13/h3-11H,1-2H3,(H,18,19)
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n/an/a 810n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of COX2 by fluorescence assay


Bioorg Med Chem Lett 22: 3567-70 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.013
BindingDB Entry DOI: 10.7270/Q2RB75MP
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50382192
PNG
(CHEMBL2023847)
Show SMILES Clc1ccc(cc1)-c1csc(Nc2ccc3OCOc3c2)n1
Show InChI InChI=1S/C16H11ClN2O2S/c17-11-3-1-10(2-4-11)13-8-22-16(19-13)18-12-5-6-14-15(7-12)21-9-20-14/h1-8H,9H2,(H,18,19)
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n/an/a 840n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of COX2 by fluorescence assay


Bioorg Med Chem Lett 22: 3567-70 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.013
BindingDB Entry DOI: 10.7270/Q2RB75MP
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50382180
PNG
(CHEMBL2023859)
Show SMILES Clc1ccccc1-c1csc(Nc2ccc3OCOc3c2)n1
Show InChI InChI=1S/C16H11ClN2O2S/c17-12-4-2-1-3-11(12)13-8-22-16(19-13)18-10-5-6-14-15(7-10)21-9-20-14/h1-8H,9H2,(H,18,19)
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n/an/a 910n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of COX2 by fluorescence assay


Bioorg Med Chem Lett 22: 3567-70 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.013
BindingDB Entry DOI: 10.7270/Q2RB75MP
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50382177
PNG
(CHEMBL2023862)
Show SMILES COc1ccc(cc1)-c1csc(Nc2ccc3OCOc3c2)n1
Show InChI InChI=1S/C17H14N2O3S/c1-20-13-5-2-11(3-6-13)14-9-23-17(19-14)18-12-4-7-15-16(8-12)22-10-21-15/h2-9H,10H2,1H3,(H,18,19)
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n/an/a 910n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of COX2 by fluorescence assay


Bioorg Med Chem Lett 22: 3567-70 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.013
BindingDB Entry DOI: 10.7270/Q2RB75MP
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50382178
PNG
(CHEMBL2023861)
Show SMILES COc1cccc(c1)-c1csc(Nc2ccc3OCOc3c2)n1
Show InChI InChI=1S/C17H14N2O3S/c1-20-13-4-2-3-11(7-13)14-9-23-17(19-14)18-12-5-6-15-16(8-12)22-10-21-15/h2-9H,10H2,1H3,(H,18,19)
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n/an/a 920n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of COX2 by fluorescence assay


Bioorg Med Chem Lett 22: 3567-70 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.013
BindingDB Entry DOI: 10.7270/Q2RB75MP
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50382179
PNG
(CHEMBL2023860)
Show SMILES COc1ccccc1-c1csc(Nc2ccc3OCOc3c2)n1
Show InChI InChI=1S/C17H14N2O3S/c1-20-14-5-3-2-4-12(14)13-9-23-17(19-13)18-11-6-7-15-16(8-11)22-10-21-15/h2-9H,10H2,1H3,(H,18,19)
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n/an/a 930n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of COX2 by fluorescence assay


Bioorg Med Chem Lett 22: 3567-70 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.013
BindingDB Entry DOI: 10.7270/Q2RB75MP
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM223474
PNG
(US9320734, 415)
Show SMILES COc1cc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3c(C)noc3C)cc2)nc(OC)n1
Show InChI InChI=1S/C17H19N5O7S2/c1-10-16(11(2)29-20-10)31(25,26)21-12-5-7-13(8-6-12)30(23,24)22-14-9-15(27-3)19-17(18-14)28-4/h5-9,21H,1-4H3,(H,18,19,22)
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US Patent
n/an/a 1.00E+3n/an/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
Inhibition of AKT was measured by Western blots using specific antibodies against phospho-Ser473-AKT in HT-29 lung cancer cells. Inhibition of the ph...


US Patent US9320734 (2016)


BindingDB Entry DOI: 10.7270/Q2QF8RRM
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50382190
PNG
(CHEMBL2023850)
Show SMILES CN(c1nc(cs1)-c1ccc(Cl)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C16H13ClN2OS/c1-19(13-6-8-14(20)9-7-13)16-18-15(10-21-16)11-2-4-12(17)5-3-11/h2-10,20H,1H3
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n/an/a 1.08E+3n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of COX2 by fluorescence assay


Bioorg Med Chem Lett 22: 3567-70 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.013
BindingDB Entry DOI: 10.7270/Q2RB75MP
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50382184
PNG
(CHEMBL2023857)
Show SMILES COc1ccc(Nc2nc(cs2)-c2ccc(C)c(C)c2)cc1
Show InChI InChI=1S/C18H18N2OS/c1-12-4-5-14(10-13(12)2)17-11-22-18(20-17)19-15-6-8-16(21-3)9-7-15/h4-11H,1-3H3,(H,19,20)
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n/an/a 1.20E+3n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of COX2 by fluorescence assay


Bioorg Med Chem Lett 22: 3567-70 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.013
BindingDB Entry DOI: 10.7270/Q2RB75MP
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50382183
PNG
(CHEMBL1622194)
Show SMILES COc1ccc(Nc2nc(cs2)-c2ccc(OC)cc2)cc1
Show InChI InChI=1S/C17H16N2O2S/c1-20-14-7-3-12(4-8-14)16-11-22-17(19-16)18-13-5-9-15(21-2)10-6-13/h3-11H,1-2H3,(H,18,19)
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n/an/a 1.37E+3n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of COX2 by fluorescence assay


Bioorg Med Chem Lett 22: 3567-70 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.013
BindingDB Entry DOI: 10.7270/Q2RB75MP
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50382191
PNG
(CHEMBL2023848)
Show SMILES COc1cccc(Nc2nc(cs2)-c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C16H13ClN2OS/c1-20-14-4-2-3-13(9-14)18-16-19-15(10-21-16)11-5-7-12(17)8-6-11/h2-10H,1H3,(H,18,19)
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n/an/a 1.39E+3n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of COX2 by fluorescence assay


Bioorg Med Chem Lett 22: 3567-70 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.013
BindingDB Entry DOI: 10.7270/Q2RB75MP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50308756
PNG
(CHEMBL605198 | N-(4-Methyl-3-(3-methyl-4-oxo-3,4-d...)
Show SMILES Cc1ccc(cc1)-c1nc([nH]c1C(=O)Nc1ccc(C)c(Nc2ccc3ncn(C)c(=O)c3c2)c1)C(F)(F)F
Show InChI InChI=1S/C28H23F3N6O2/c1-15-4-7-17(8-5-15)23-24(36-27(35-23)28(29,30)31)25(38)34-19-9-6-16(2)22(13-19)33-18-10-11-21-20(12-18)26(39)37(3)14-32-21/h4-14,33H,1-3H3,(H,34,38)(H,35,36)
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n/an/a 1.65E+3n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length p38alpha assessed as MAPKAPK2 phosphorylation by [32P]ATP SDS-PAGE gel kinase assay


Bioorg Med Chem 18: 292-304 (2010)


Article DOI: 10.1016/j.bmc.2009.10.055
BindingDB Entry DOI: 10.7270/Q2SQ90H4
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Akt)


(Homo sapiens (Human))
BDBM223476
PNG
(US9320734, 389)
Show SMILES CC1=NN(C(=O)c2ccc(Cl)cc2)C(=O)C1\N=N\c1ccc(cc1)S(=O)(=O)Nc1nnc(C)s1 |t:1|
Show InChI InChI=1/C20H16ClN7O4S2/c1-11-17(19(30)28(26-11)18(29)13-3-5-14(21)6-4-13)24-23-15-7-9-16(10-8-15)34(31,32)27-20-25-22-12(2)33-20/h3-10,17H,1-2H3,(H,25,27)/b24-23+
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US Patent
n/an/a 5.00E+3n/an/an/an/an/an/a



Board of Regents, The University of Texas System; Arizona Board of Regents on behalf of the University of Arizona

US Patent


Assay Description
Inhibition of AKT was measured by Western blots using specific antibodies against phospho-Ser473-AKT in HT-29 lung cancer cells. Inhibition of the ph...


US Patent US9320734 (2016)


BindingDB Entry DOI: 10.7270/Q2QF8RRM
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50382195
PNG
(CHEMBL2023950)
Show SMILES CC(O)c1sc(Nc2ccc(Oc3ccccc3)cc2)nc1C
Show InChI InChI=1S/C18H18N2O2S/c1-12-17(13(2)21)23-18(19-12)20-14-8-10-16(11-9-14)22-15-6-4-3-5-7-15/h3-11,13,21H,1-2H3,(H,19,20)
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n/an/a>5.00E+3n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of COX2 by fluorescence assay


Bioorg Med Chem Lett 22: 3567-70 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.013
BindingDB Entry DOI: 10.7270/Q2RB75MP
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50382194
PNG
(CHEMBL1903990)
Show SMILES COc1ccc(cc1)-c1csc(Nc2ccc(Oc3ccccc3)cc2)n1
Show InChI InChI=1S/C22H18N2O2S/c1-25-18-11-7-16(8-12-18)21-15-27-22(24-21)23-17-9-13-20(14-10-17)26-19-5-3-2-4-6-19/h2-15H,1H3,(H,23,24)
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n/an/a>5.00E+3n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of COX2 by fluorescence assay


Bioorg Med Chem Lett 22: 3567-70 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.013
BindingDB Entry DOI: 10.7270/Q2RB75MP
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50382189
PNG
(CHEMBL2023851)
Show SMILES COc1ccc(Nc2nc(c(C)s2)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C17H15ClN2OS/c1-11-16(12-3-5-13(18)6-4-12)20-17(22-11)19-14-7-9-15(21-2)10-8-14/h3-10H,1-2H3,(H,19,20)
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n/an/a>5.00E+3n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of COX2 by fluorescence assay


Bioorg Med Chem Lett 22: 3567-70 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.013
BindingDB Entry DOI: 10.7270/Q2RB75MP
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50382188
PNG
(CHEMBL2023852)
Show SMILES N(c1nc(cs1)-c1ccccc1)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C21H16N2OS/c1-3-7-16(8-4-1)20-15-25-21(23-20)22-17-11-13-19(14-12-17)24-18-9-5-2-6-10-18/h1-15H,(H,22,23)
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n/an/a>5.00E+3n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of COX2 by fluorescence assay


Bioorg Med Chem Lett 22: 3567-70 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.013
BindingDB Entry DOI: 10.7270/Q2RB75MP
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50382187
PNG
(CHEMBL2023853)
Show SMILES Fc1ccc(cc1)-c1csc(Nc2ccc(Oc3ccccc3)cc2)n1
Show InChI InChI=1S/C21H15FN2OS/c22-16-8-6-15(7-9-16)20-14-26-21(24-20)23-17-10-12-19(13-11-17)25-18-4-2-1-3-5-18/h1-14H,(H,23,24)
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n/an/a>5.00E+3n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of COX2 by fluorescence assay


Bioorg Med Chem Lett 22: 3567-70 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.013
BindingDB Entry DOI: 10.7270/Q2RB75MP
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50382186
PNG
(CHEMBL1907465)
Show SMILES COc1ccccc1-c1csc(Nc2ccc(Oc3ccccc3)cc2)n1
Show InChI InChI=1S/C22H18N2O2S/c1-25-21-10-6-5-9-19(21)20-15-27-22(24-20)23-16-11-13-18(14-12-16)26-17-7-3-2-4-8-17/h2-15H,1H3,(H,23,24)
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n/an/a>5.00E+3n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of COX2 by fluorescence assay


Bioorg Med Chem Lett 22: 3567-70 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.013
BindingDB Entry DOI: 10.7270/Q2RB75MP
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50382185
PNG
(CHEMBL1907447)
Show SMILES COc1cccc(c1)-c1csc(Nc2ccc(Oc3ccccc3)cc2)n1
Show InChI InChI=1S/C22H18N2O2S/c1-25-20-9-5-6-16(14-20)21-15-27-22(24-21)23-17-10-12-19(13-11-17)26-18-7-3-2-4-8-18/h2-15H,1H3,(H,23,24)
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n/an/a>5.00E+3n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of COX2 by fluorescence assay


Bioorg Med Chem Lett 22: 3567-70 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.013
BindingDB Entry DOI: 10.7270/Q2RB75MP
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50382176
PNG
(CHEMBL1902481 | cid_867556)
Show SMILES CC(=O)c1sc(Nc2ccc(Oc3ccccc3)cc2)nc1C
Show InChI InChI=1S/C18H16N2O2S/c1-12-17(13(2)21)23-18(19-12)20-14-8-10-16(11-9-14)22-15-6-4-3-5-7-15/h3-11H,1-2H3,(H,19,20)
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n/an/a>5.00E+3n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of COX2 by fluorescence assay


Bioorg Med Chem Lett 22: 3567-70 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.013
BindingDB Entry DOI: 10.7270/Q2RB75MP
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50382175
PNG
(CHEMBL2023948)
Show SMILES CCc1sc(Nc2ccc(OC)cc2)nc1C
Show InChI InChI=1S/C13H16N2OS/c1-4-12-9(2)14-13(17-12)15-10-5-7-11(16-3)8-6-10/h5-8H,4H2,1-3H3,(H,14,15)
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n/an/a>5.00E+3n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of COX2 by fluorescence assay


Bioorg Med Chem Lett 22: 3567-70 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.013
BindingDB Entry DOI: 10.7270/Q2RB75MP
More data for this
Ligand-Target Pair
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