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Compile Data Set for Download or QSAR

Found 249 hits with Last Name = 'maier' and Initial = 'j'   
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 Chk1


(Homo sapiens (Human))
BDBM50526692
PNG
(CHEMBL1230881)
Show SMILES CC(C)(C)c1ccc(cc1[N+]([O-])=O)C(=O)NNC(=O)Nc1cccc2ccccc12
Show InChI InChI=1S/C22H22N4O4/c1-22(2,3)17-12-11-15(13-19(17)26(29)30)20(27)24-25-21(28)23-18-10-6-8-14-7-4-5-9-16(14)18/h4-13H,1-3H3,(H,24,27)(H2,23,25,28)
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146n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of wild-type human CHK1 (1 to 289 residues) expressed in baculovirus infected Sf21 insect cells preincubated for 15 mins followed by ATP a...


J Med Chem 62: 6512-6524 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00089
BindingDB Entry DOI: 10.7270/Q25X2DC4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50188343
PNG
(4-(2,6-dichloro-phenyl)-8-[4-(2-diethylamino-ethox...)
Show SMILES CCN(CC)CCOc1ccc(Nc2ncc3C=C(N4N(CCC4=O)c3n2)c2c(Cl)cccc2Cl)cc1 |c:17|
Show InChI InChI=1S/C27H28Cl2N6O2/c1-3-33(4-2)14-15-37-20-10-8-19(9-11-20)31-27-30-17-18-16-23(25-21(28)6-5-7-22(25)29)35-24(36)12-13-34(35)26(18)32-27/h5-11,16-17H,3-4,12-15H2,1-2H3,(H,30,31,32)
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n/an/a 2n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Lck in presence of 10 mM ATP


Bioorg Med Chem Lett 16: 4257-61 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.072
BindingDB Entry DOI: 10.7270/Q22V2FQD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50188342
PNG
(4-(2,6-dichloro-phenyl)-8-(4-morpholin-4-yl-phenyl...)
Show SMILES Clc1cccc(Cl)c1C1=Cc2cnc(Nc3ccc(cc3)N3CCOCC3)nc2N2CCC(=O)N12 |t:9|
Show InChI InChI=1S/C25H22Cl2N6O2/c26-19-2-1-3-20(27)23(19)21-14-16-15-28-25(30-24(16)32-9-8-22(34)33(21)32)29-17-4-6-18(7-5-17)31-10-12-35-13-11-31/h1-7,14-15H,8-13H2,(H,28,29,30)
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n/an/a 3n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Lck in presence of 10 mM ATP


Bioorg Med Chem Lett 16: 4257-61 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.072
BindingDB Entry DOI: 10.7270/Q22V2FQD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50195334
PNG
(3-(2-(1H-benzo[d]imidazol-1-yl)-6-(2-(diethylamino...)
Show SMILES CCN(CC)CCNc1cc(Nc2cc(O)ccc2C)nc(n1)-n1cnc2ccccc12
Show InChI InChI=1S/C24H29N7O/c1-4-30(5-2)13-12-25-22-15-23(27-20-14-18(32)11-10-17(20)3)29-24(28-22)31-16-26-19-8-6-7-9-21(19)31/h6-11,14-16,32H,4-5,12-13H2,1-3H3,(H2,25,27,28,29)
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n/an/a 3n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Lck by ProFlour assay


Bioorg Med Chem Lett 16: 5973-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.132
BindingDB Entry DOI: 10.7270/Q2028R5P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50195345
PNG
(3-(2-(1H-benzo[d]imidazol-1-yl)-6-(4-methylpiperaz...)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(O)ccc2C)nc(n1)-n1cnc2ccccc12
Show InChI InChI=1S/C23H25N7O/c1-16-7-8-17(31)13-19(16)25-21-14-22(29-11-9-28(2)10-12-29)27-23(26-21)30-15-24-18-5-3-4-6-20(18)30/h3-8,13-15,31H,9-12H2,1-2H3,(H,25,26,27)
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n/an/a 3n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Lck by ProFlour assay


Bioorg Med Chem Lett 16: 5973-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.132
BindingDB Entry DOI: 10.7270/Q2028R5P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50195351
PNG
(1-(3-(2,5-dimethylbenzyl)-5-(3-cyclohexylpropyl)ph...)
Show SMILES Cc1ccc(O)cc1Nc1cc(OCCN2CCOCC2)nc(n1)-n1cnc2ccccc12
Show InChI InChI=1S/C24H26N6O3/c1-17-6-7-18(31)14-20(17)26-22-15-23(33-13-10-29-8-11-32-12-9-29)28-24(27-22)30-16-25-19-4-2-3-5-21(19)30/h2-7,14-16,31H,8-13H2,1H3,(H,26,27,28)
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n/an/a 3n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Lck by ProFlour assay


Bioorg Med Chem Lett 16: 5973-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.132
BindingDB Entry DOI: 10.7270/Q2028R5P
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50188343
PNG
(4-(2,6-dichloro-phenyl)-8-[4-(2-diethylamino-ethox...)
Show SMILES CCN(CC)CCOc1ccc(Nc2ncc3C=C(N4N(CCC4=O)c3n2)c2c(Cl)cccc2Cl)cc1 |c:17|
Show InChI InChI=1S/C27H28Cl2N6O2/c1-3-33(4-2)14-15-37-20-10-8-19(9-11-20)31-27-30-17-18-16-23(25-21(28)6-5-7-22(25)29)35-24(36)12-13-34(35)26(18)32-27/h5-11,16-17H,3-4,12-15H2,1-2H3,(H,30,31,32)
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n/an/a 3n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Src in presence of 10 mM ATP


Bioorg Med Chem Lett 16: 4257-61 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.072
BindingDB Entry DOI: 10.7270/Q22V2FQD
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50453891
PNG
(CHEMBL4214567)
Show SMILES Oc1ccc(F)cc1C(N1Cc2ccccc2C1=O)C(=O)Nc1nccs1
Show InChI InChI=1S/C19H14FN3O3S/c20-12-5-6-15(24)14(9-12)16(17(25)22-19-21-7-8-27-19)23-10-11-3-1-2-4-13(11)18(23)26/h1-9,16,24H,10H2,(H,21,22,25)
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n/an/a 3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human EGFR L858R/T790M mutant (696 to 1022 residues) expressed in Sf9 insect cells by HTRF assay


J Med Chem 62: 6512-6524 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00089
BindingDB Entry DOI: 10.7270/Q25X2DC4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50186560
PNG
(1-(6-(4-(2-(diethylamino)ethoxy)phenylamino)pyrimi...)
Show SMILES CCN(CC)CCOc1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2cc(O)ccc2C)cc1
Show InChI InChI=1S/C25H32N6O3/c1-5-31(6-2)13-14-34-21-11-8-19(9-12-21)28-23-16-24(27-17-26-23)30(4)25(33)29-22-15-20(32)10-7-18(22)3/h7-12,15-17,32H,5-6,13-14H2,1-4H3,(H,29,33)(H,26,27,28)
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n/an/a 3n/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Lck


Bioorg Med Chem Lett 16: 3646-50 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.072
BindingDB Entry DOI: 10.7270/Q2GF0T45
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50186557
PNG
(1-(6-(4-(2-(diethylamino)ethoxy)phenylamino)pyrimi...)
Show SMILES CCN(CC)CCOc1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)cc1
Show InChI InChI=1S/C33H36F3N7O3/c1-5-43(6-2)16-17-46-27-14-12-25(13-15-27)39-29-20-30(38-21-37-29)42(4)32(45)41-28-19-26(11-10-22(28)3)40-31(44)23-8-7-9-24(18-23)33(34,35)36/h7-15,18-21H,5-6,16-17H2,1-4H3,(H,40,44)(H,41,45)(H,37,38,39)
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n/an/a 3n/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Lck


Bioorg Med Chem Lett 16: 3646-50 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.072
BindingDB Entry DOI: 10.7270/Q2GF0T45
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50186535
PNG
(3-(5-hydroxy-2-methylphenyl)-1-methyl-1-(6-(4-morp...)
Show SMILES CN(C(=O)Nc1cc(O)ccc1C)c1cc(Nc2ccc(cc2)N2CCOCC2)ncn1
Show InChI InChI=1S/C23H26N6O3/c1-16-3-8-19(30)13-20(16)27-23(31)28(2)22-14-21(24-15-25-22)26-17-4-6-18(7-5-17)29-9-11-32-12-10-29/h3-8,13-15,30H,9-12H2,1-2H3,(H,27,31)(H,24,25,26)
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n/an/a 4n/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Lck


Bioorg Med Chem Lett 16: 3646-50 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.072
BindingDB Entry DOI: 10.7270/Q2GF0T45
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50186566
PNG
(3-(5-((5-tert-butylisoxazol-3-yl)carbamoyl)-2-meth...)
Show SMILES CCN(CC)CCOc1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2cc(ccc2C)C(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C33H42N8O4/c1-8-41(9-2)16-17-44-25-14-12-24(13-15-25)36-28-20-30(35-21-34-28)40(7)32(43)37-26-18-23(11-10-22(26)3)31(42)38-29-19-27(45-39-29)33(4,5)6/h10-15,18-21H,8-9,16-17H2,1-7H3,(H,37,43)(H,34,35,36)(H,38,39,42)
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n/an/a 4n/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Lck


Bioorg Med Chem Lett 16: 3646-50 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.072
BindingDB Entry DOI: 10.7270/Q2GF0T45
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50195340
PNG
(3-(4-(benzo[d]isoxazol-3-yl)pyrimidin-2-ylamino)-4...)
Show SMILES Cc1ccc(O)cc1Nc1nccc(n1)-c1noc2ccccc12
Show InChI InChI=1S/C18H14N4O2/c1-11-6-7-12(23)10-15(11)21-18-19-9-8-14(20-18)17-13-4-2-3-5-16(13)24-22-17/h2-10,23H,1H3,(H,19,20,21)
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n/an/a 4.20n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Lck by ProFlour assay


Bioorg Med Chem Lett 16: 5973-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.132
BindingDB Entry DOI: 10.7270/Q2028R5P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50201514
PNG
(2-(3H-imidazo[4,5-c]pyridin-3-yl)-N-methoxy-7-meth...)
Show SMILES CONC(=O)c1cc2c(N[C@@H](C)c3ccccc3)nc(nc2n1C)-n1cnc2ccncc12
Show InChI InChI=1S/C23H22N8O2/c1-14(15-7-5-4-6-8-15)26-20-16-11-18(22(32)29-33-3)30(2)21(16)28-23(27-20)31-13-25-17-9-10-24-12-19(17)31/h4-14H,1-3H3,(H,29,32)(H,26,27,28)/t14-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of JAK2 by kinase-Glo luminescent assay


Bioorg Med Chem Lett 17: 1250-3 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.018
BindingDB Entry DOI: 10.7270/Q2H70GMJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50186556
PNG
(3-(2,6-dichlorophenyl)-1-methyl-1-(6-(4-(4-methylp...)
Show SMILES CN(C(=O)Nc1c(Cl)cccc1Cl)c1cc(Nc2ccc(cc2)N2CCN(C)CC2)ncn1
Show InChI InChI=1S/C23H25Cl2N7O/c1-30-10-12-32(13-11-30)17-8-6-16(7-9-17)28-20-14-21(27-15-26-20)31(2)23(33)29-22-18(24)4-3-5-19(22)25/h3-9,14-15H,10-13H2,1-2H3,(H,29,33)(H,26,27,28)
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n/an/a 6n/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Lck


Bioorg Med Chem Lett 16: 3646-50 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.072
BindingDB Entry DOI: 10.7270/Q2GF0T45
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50195354
PNG
(CHEMBL220924 | N1-(4-(benzo[d]isoxazol-3-yl)pyrimi...)
Show SMILES Cc1ccc(N)cc1Nc1nccc(n1)-c1noc2ccccc12
Show InChI InChI=1S/C18H15N5O/c1-11-6-7-12(19)10-15(11)22-18-20-9-8-14(21-18)17-13-4-2-3-5-16(13)24-23-17/h2-10H,19H2,1H3,(H,20,21,22)
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n/an/a 6.80n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Lck by ProFlour assay


Bioorg Med Chem Lett 16: 5973-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.132
BindingDB Entry DOI: 10.7270/Q2028R5P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50186554
PNG
(3-(2-chloro-6-methylphenyl)-1-methyl-1-(6-(4-(4-me...)
Show SMILES CN(C(=O)Nc1c(C)cccc1Cl)c1cc(Nc2ccc(cc2)N2CCN(C)CC2)ncn1
Show InChI InChI=1S/C24H28ClN7O/c1-17-5-4-6-20(25)23(17)29-24(33)31(3)22-15-21(26-16-27-22)28-18-7-9-19(10-8-18)32-13-11-30(2)12-14-32/h4-10,15-16H,11-14H2,1-3H3,(H,29,33)(H,26,27,28)
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n/an/a 9n/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Lck


Bioorg Med Chem Lett 16: 3646-50 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.072
BindingDB Entry DOI: 10.7270/Q2GF0T45
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11/12/13/14


(Homo sapiens (Human))
BDBM15244
PNG
(5-(2,6-dichlorophenyl)-2-(2,4-difluorophenyl)sulfa...)
Show SMILES Fc1ccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)c(F)c1 |(-1.69,6.87,;-1.69,5.33,;-.36,4.56,;-.36,3.02,;-1.69,2.25,;-1.69,.71,;-3.03,-.06,;-3.03,-1.6,;-4.36,-2.37,;-5.75,-1.54,;-7.08,-2.31,;-7.08,-3.85,;-5.75,-4.62,;-4.42,-3.85,;-5.75,-6.16,;-7.08,-6.93,;-8.42,-6.16,;-8.42,-4.62,;-9.75,-3.85,;-8.42,-1.54,;-9.75,-2.31,;-8.42,,;-7.08,.77,;-5.75,,;-4.36,.71,;-3.03,3.02,;-4.36,2.25,;-3.03,4.56,)|
Show InChI InChI=1S/C19H9Cl2F2N3OS/c20-11-2-1-3-12(21)17(11)18-14-5-7-16(25-26(14)9-24-19(18)27)28-15-6-4-10(22)8-13(15)23/h1-9H
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n/an/a 10n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of p38


Bioorg Med Chem Lett 16: 4360-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.050
BindingDB Entry DOI: 10.7270/Q2QF8WMG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50188348
PNG
(4-(2-chloro-5-hydroxy-phenyl)-8-(4-dimethylamino-p...)
Show SMILES CN(C)c1ccc(Nc2ncc3C=C(N4N(CCC4=O)c3n2)c2cc(O)ccc2Cl)cc1 |c:12|
Show InChI InChI=1S/C23H21ClN6O2/c1-28(2)16-5-3-15(4-6-16)26-23-25-13-14-11-20(18-12-17(31)7-8-19(18)24)30-21(32)9-10-29(30)22(14)27-23/h3-8,11-13,31H,9-10H2,1-2H3,(H,25,26,27)
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n/an/a 10n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Lck in presence of 10 mM ATP


Bioorg Med Chem Lett 16: 4257-61 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.072
BindingDB Entry DOI: 10.7270/Q22V2FQD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50201503
PNG
((2-(3H-imidazo[4,5-c]pyridin-3-yl)-7-methyl-4-((S)...)
Show SMILES C[C@H](Nc1nc(nc2n(C)c(cc12)C(=O)N1CCN(C)CC1)-n1cnc2ccncc12)c1ccccc1
Show InChI InChI=1S/C27H29N9O/c1-18(19-7-5-4-6-8-19)30-24-20-15-22(26(37)35-13-11-33(2)12-14-35)34(3)25(20)32-27(31-24)36-17-29-21-9-10-28-16-23(21)36/h4-10,15-18H,11-14H2,1-3H3,(H,30,31,32)/t18-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of JAK2 by kinase-Glo luminescent assay


Bioorg Med Chem Lett 17: 1250-3 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.018
BindingDB Entry DOI: 10.7270/Q2H70GMJ
More data for this
Ligand-Target Pair
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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n/an/a 11n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of JAK2 by kinase-Glo luminescent assay


Bioorg Med Chem Lett 17: 1250-3 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.018
BindingDB Entry DOI: 10.7270/Q2H70GMJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50103004
PNG
(CHEMBL3394120)
Show SMILES COC(Cn1c(S\C=C/C(O)=O)nc(c1-c1ccnc(NC2CC2)c1)-c1ccc(F)cc1)OC
Show InChI InChI=1S/C24H25FN4O4S/c1-32-21(33-2)14-29-23(16-9-11-26-19(13-16)27-18-7-8-18)22(15-3-5-17(25)6-4-15)28-24(29)34-12-10-20(30)31/h3-6,9-13,18,21H,7-8,14H2,1-2H3,(H,26,27)(H,30,31)/b12-10-
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n/an/a 12n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of JNK3 (unknown origin) assessed as phosphorylation of ATF-2 by ELISA


J Med Chem 58: 443-56 (2015)


Article DOI: 10.1021/jm501557a
BindingDB Entry DOI: 10.7270/Q2RN39MX
More data for this
Ligand-Target Pair
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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n/an/a 13n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of JAK3 by kinase-Glo luminescent assay


Bioorg Med Chem Lett 17: 1250-3 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.018
BindingDB Entry DOI: 10.7270/Q2H70GMJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50195338
PNG
(3-(2-(1H-benzo[d]imidazol-1-yl)-6-(2-morpholinoeth...)
Show SMILES Cc1ccc(O)cc1Nc1cc(NCCN2CCOCC2)nc(n1)-n1cnc2ccccc12
Show InChI InChI=1S/C24H27N7O2/c1-17-6-7-18(32)14-20(17)27-23-15-22(25-8-9-30-10-12-33-13-11-30)28-24(29-23)31-16-26-19-4-2-3-5-21(19)31/h2-7,14-16,32H,8-13H2,1H3,(H2,25,27,28,29)
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n/an/a 17n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Lck by ProFlour assay


Bioorg Med Chem Lett 16: 5973-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.132
BindingDB Entry DOI: 10.7270/Q2028R5P
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50103129
PNG
(CHEMBL3394125)
Show SMILES OC(=O)\C=C/Sc1nc(c([nH]1)-c1ccnc(Nc2ccccc2)c1)-c1ccc(F)cc1
Show InChI InChI=1S/C23H17FN4O2S/c24-17-8-6-15(7-9-17)21-22(28-23(27-21)31-13-11-20(29)30)16-10-12-25-19(14-16)26-18-4-2-1-3-5-18/h1-14H,(H,25,26)(H,27,28)(H,29,30)/b13-11-
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n/an/a 17n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of JNK3 (unknown origin) assessed as phosphorylation of ATF-2 by ELISA


J Med Chem 58: 443-56 (2015)


Article DOI: 10.1021/jm501557a
BindingDB Entry DOI: 10.7270/Q2RN39MX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50201514
PNG
(2-(3H-imidazo[4,5-c]pyridin-3-yl)-N-methoxy-7-meth...)
Show SMILES CONC(=O)c1cc2c(N[C@@H](C)c3ccccc3)nc(nc2n1C)-n1cnc2ccncc12
Show InChI InChI=1S/C23H22N8O2/c1-14(15-7-5-4-6-8-15)26-20-16-11-18(22(32)29-33-3)30(2)21(16)28-23(27-20)31-13-25-17-9-10-24-12-19(17)31/h4-14H,1-3H3,(H,29,32)(H,26,27,28)/t14-/m0/s1
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n/an/a 18n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of JAK3 by kinase-Glo luminescent assay


Bioorg Med Chem Lett 17: 1250-3 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.018
BindingDB Entry DOI: 10.7270/Q2H70GMJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50103104
PNG
(CHEMBL3394106)
Show SMILES CC(=O)Nc1cc(ccn1)-c1c(nc(S\C=C/C(O)=O)n1CC1CC1)-c1ccc(F)cc1
Show InChI InChI=1S/C23H21FN4O3S/c1-14(29)26-19-12-17(8-10-25-19)22-21(16-4-6-18(24)7-5-16)27-23(32-11-9-20(30)31)28(22)13-15-2-3-15/h4-12,15H,2-3,13H2,1H3,(H,30,31)(H,25,26,29)/b11-9-
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n/an/a 18n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of JNK3 (unknown origin) assessed as phosphorylation of ATF-2 by ELISA


J Med Chem 58: 443-56 (2015)


Article DOI: 10.1021/jm501557a
BindingDB Entry DOI: 10.7270/Q2RN39MX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50201504
PNG
(CHEMBL233555 | N-(2-(dimethylamino)ethyl)-2-(3H-im...)
Show SMILES C[C@H](Nc1nc(nc2n(C)c(cc12)C(=O)NCCN(C)C)-n1cnc2ccncc12)c1ccccc1
Show InChI InChI=1S/C26H29N9O/c1-17(18-8-6-5-7-9-18)30-23-19-14-21(25(36)28-12-13-33(2)3)34(4)24(19)32-26(31-23)35-16-29-20-10-11-27-15-22(20)35/h5-11,14-17H,12-13H2,1-4H3,(H,28,36)(H,30,31,32)/t17-/m0/s1
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n/an/a 19n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of JAK2 by kinase-Glo luminescent assay


Bioorg Med Chem Lett 17: 1250-3 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.018
BindingDB Entry DOI: 10.7270/Q2H70GMJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50188357
PNG
(4-(2,6-dichloro-phenyl)-8-[4-(2-dimethylamino-ethy...)
Show SMILES CN(C)CCc1ccc(Nc2ncc3C=C(N4N(CCC4=O)c3n2)c2c(Cl)cccc2Cl)cc1 |c:14|
Show InChI InChI=1S/C25H24Cl2N6O/c1-31(2)12-10-16-6-8-18(9-7-16)29-25-28-15-17-14-21(23-19(26)4-3-5-20(23)27)33-22(34)11-13-32(33)24(17)30-25/h3-9,14-15H,10-13H2,1-2H3,(H,28,29,30)
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n/an/a 21n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Lck in presence of 10 mM ATP


Bioorg Med Chem Lett 16: 4257-61 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.072
BindingDB Entry DOI: 10.7270/Q22V2FQD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50201512
PNG
((2-(3H-imidazo[4,5-c]pyridin-3-yl)-7-methyl-4-((S)...)
Show SMILES C[C@H](Nc1nc(nc2n(C)c(cc12)C(=O)N1CCOCC1)-n1cnc2ccncc12)c1ccccc1
Show InChI InChI=1S/C26H26N8O2/c1-17(18-6-4-3-5-7-18)29-23-19-14-21(25(35)33-10-12-36-13-11-33)32(2)24(19)31-26(30-23)34-16-28-20-8-9-27-15-22(20)34/h3-9,14-17H,10-13H2,1-2H3,(H,29,30,31)/t17-/m0/s1
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n/an/a 21n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of JAK2 by kinase-Glo luminescent assay


Bioorg Med Chem Lett 17: 1250-3 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.018
BindingDB Entry DOI: 10.7270/Q2H70GMJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50201503
PNG
((2-(3H-imidazo[4,5-c]pyridin-3-yl)-7-methyl-4-((S)...)
Show SMILES C[C@H](Nc1nc(nc2n(C)c(cc12)C(=O)N1CCN(C)CC1)-n1cnc2ccncc12)c1ccccc1
Show InChI InChI=1S/C27H29N9O/c1-18(19-7-5-4-6-8-19)30-24-20-15-22(26(37)35-13-11-33(2)12-14-35)34(3)25(20)32-27(31-24)36-17-29-21-9-10-28-16-23(21)36/h4-10,15-18H,11-14H2,1-3H3,(H,30,31,32)/t18-/m0/s1
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n/an/a 22n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of JAK3 by kinase-Glo luminescent assay


Bioorg Med Chem Lett 17: 1250-3 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.018
BindingDB Entry DOI: 10.7270/Q2H70GMJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50195329
PNG
(3-(2-(1H-benzo[d]imidazol-1-yl)pyrimidin-4-ylamino...)
Show SMILES Cc1ccc(O)cc1Nc1ccnc(n1)-n1cnc2ccccc12
Show InChI InChI=1S/C18H15N5O/c1-12-6-7-13(24)10-15(12)21-17-8-9-19-18(22-17)23-11-20-14-4-2-3-5-16(14)23/h2-11,24H,1H3,(H,19,21,22)
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n/an/a 24n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Lck by ProFlour assay


Bioorg Med Chem Lett 16: 5973-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.132
BindingDB Entry DOI: 10.7270/Q2028R5P
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50102911
PNG
(CHEMBL3394107)
Show SMILES CC(=O)Nc1cc(ccn1)-c1c(nc(S\C=C/C(O)=O)n1CC1CCCCC1)-c1ccc(F)cc1
Show InChI InChI=1S/C26H27FN4O3S/c1-17(32)29-22-15-20(11-13-28-22)25-24(19-7-9-21(27)10-8-19)30-26(35-14-12-23(33)34)31(25)16-18-5-3-2-4-6-18/h7-15,18H,2-6,16H2,1H3,(H,33,34)(H,28,29,32)/b14-12-
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n/an/a 25n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of JNK3 (unknown origin) assessed as phosphorylation of ATF-2 by ELISA


J Med Chem 58: 443-56 (2015)


Article DOI: 10.1021/jm501557a
BindingDB Entry DOI: 10.7270/Q2RN39MX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50201516
PNG
(2-(3H-imidazo[4,5-c]pyridin-3-yl)-N-(2-methoxyethy...)
Show SMILES COCCNC(=O)c1cc2c(N[C@@H](C)c3ccccc3)nc(nc2n1C)-n1cnc2ccncc12
Show InChI InChI=1S/C25H26N8O2/c1-16(17-7-5-4-6-8-17)29-22-18-13-20(24(34)27-11-12-35-3)32(2)23(18)31-25(30-22)33-15-28-19-9-10-26-14-21(19)33/h4-10,13-16H,11-12H2,1-3H3,(H,27,34)(H,29,30,31)/t16-/m0/s1
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n/an/a 25n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of JAK2 by kinase-Glo luminescent assay


Bioorg Med Chem Lett 17: 1250-3 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.018
BindingDB Entry DOI: 10.7270/Q2H70GMJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50188352
PNG
(4-(2,6-dichloro-phenyl)-8-(4-dimethylamino-phenyla...)
Show SMILES CN(C)c1ccc(Nc2ncc3C=C(N4N(CCC4=O)c3n2)c2c(Cl)cccc2Cl)cc1 |c:12|
Show InChI InChI=1S/C23H20Cl2N6O/c1-29(2)16-8-6-15(7-9-16)27-23-26-13-14-12-19(21-17(24)4-3-5-18(21)25)31-20(32)10-11-30(31)22(14)28-23/h3-9,12-13H,10-11H2,1-2H3,(H,26,27,28)
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n/an/a 26n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Lck in presence of 10 mM ATP


Bioorg Med Chem Lett 16: 4257-61 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.072
BindingDB Entry DOI: 10.7270/Q22V2FQD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50103006
PNG
(CHEMBL3394121)
Show SMILES CCC(C)Nc1cc(ccn1)-c1c(nc(S\C=C/C(O)=O)n1CC(OC)OC)-c1ccc(F)cc1
Show InChI InChI=1S/C25H29FN4O4S/c1-5-16(2)28-20-14-18(10-12-27-20)24-23(17-6-8-19(26)9-7-17)29-25(35-13-11-21(31)32)30(24)15-22(33-3)34-4/h6-14,16,22H,5,15H2,1-4H3,(H,27,28)(H,31,32)/b13-11-
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n/an/a 26n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of JNK3 (unknown origin) assessed as phosphorylation of ATF-2 by ELISA


J Med Chem 58: 443-56 (2015)


Article DOI: 10.1021/jm501557a
BindingDB Entry DOI: 10.7270/Q2RN39MX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50186537
PNG
(3-(2-chloro-6-methylphenyl)-1-(6-(4-(2-(diethylami...)
Show SMILES CCN(CC)CCOc1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2c(C)cccc2Cl)cc1
Show InChI InChI=1S/C25H31ClN6O2/c1-5-32(6-2)14-15-34-20-12-10-19(11-13-20)29-22-16-23(28-17-27-22)31(4)25(33)30-24-18(3)8-7-9-21(24)26/h7-13,16-17H,5-6,14-15H2,1-4H3,(H,30,33)(H,27,28,29)
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n/an/a 28n/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Lck


Bioorg Med Chem Lett 16: 3646-50 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.072
BindingDB Entry DOI: 10.7270/Q2GF0T45
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50103104
PNG
(CHEMBL3394106)
Show SMILES CC(=O)Nc1cc(ccn1)-c1c(nc(S\C=C/C(O)=O)n1CC1CC1)-c1ccc(F)cc1
Show InChI InChI=1S/C23H21FN4O3S/c1-14(29)26-19-12-17(8-10-25-19)22-21(16-4-6-18(24)7-5-16)27-23(32-11-9-20(30)31)28(22)13-15-2-3-15/h4-12,15H,2-3,13H2,1H3,(H,30,31)(H,25,26,29)/b11-9-
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n/an/a 30n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha (unknown origin) assessed as phosphorylation of ATF-2 by ELISA


J Med Chem 58: 443-56 (2015)


Article DOI: 10.1021/jm501557a
BindingDB Entry DOI: 10.7270/Q2RN39MX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50186558
PNG
(1-(6-(4-(2-(diethylamino)ethoxy)phenylamino)pyrimi...)
Show SMILES CCN(CC)CCOc1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2cc(ccc2C)C(=O)Nc2cccc(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C33H36F3N7O3/c1-5-43(6-2)16-17-46-27-14-12-25(13-15-27)39-29-20-30(38-21-37-29)42(4)32(45)41-28-18-23(11-10-22(28)3)31(44)40-26-9-7-8-24(19-26)33(34,35)36/h7-15,18-21H,5-6,16-17H2,1-4H3,(H,40,44)(H,41,45)(H,37,38,39)
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n/an/a 32n/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Lck


Bioorg Med Chem Lett 16: 3646-50 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.072
BindingDB Entry DOI: 10.7270/Q2GF0T45
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50102997
PNG
(CHEMBL3394101)
Show SMILES COC(Cn1c(S\C=C/C(O)=O)nc(c1-c1ccnc(NC(C)=O)c1)-c1ccc(F)cc1)OC
Show InChI InChI=1S/C23H23FN4O5S/c1-14(29)26-18-12-16(8-10-25-18)22-21(15-4-6-17(24)7-5-15)27-23(34-11-9-19(30)31)28(22)13-20(32-2)33-3/h4-12,20H,13H2,1-3H3,(H,30,31)(H,25,26,29)/b11-9-
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n/an/a 33n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of JNK3 (unknown origin) assessed as phosphorylation of ATF-2 by ELISA


J Med Chem 58: 443-56 (2015)


Article DOI: 10.1021/jm501557a
BindingDB Entry DOI: 10.7270/Q2RN39MX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50201504
PNG
(CHEMBL233555 | N-(2-(dimethylamino)ethyl)-2-(3H-im...)
Show SMILES C[C@H](Nc1nc(nc2n(C)c(cc12)C(=O)NCCN(C)C)-n1cnc2ccncc12)c1ccccc1
Show InChI InChI=1S/C26H29N9O/c1-17(18-8-6-5-7-9-18)30-23-19-14-21(25(36)28-12-13-33(2)3)34(4)24(19)32-26(31-23)35-16-29-20-10-11-27-15-22(20)35/h5-11,14-17H,12-13H2,1-4H3,(H,28,36)(H,30,31,32)/t17-/m0/s1
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n/an/a 34n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of JAK3 by kinase-Glo luminescent assay


Bioorg Med Chem Lett 17: 1250-3 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.018
BindingDB Entry DOI: 10.7270/Q2H70GMJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50103006
PNG
(CHEMBL3394121)
Show SMILES CCC(C)Nc1cc(ccn1)-c1c(nc(S\C=C/C(O)=O)n1CC(OC)OC)-c1ccc(F)cc1
Show InChI InChI=1S/C25H29FN4O4S/c1-5-16(2)28-20-14-18(10-12-27-20)24-23(17-6-8-19(26)9-7-17)29-25(35-13-11-21(31)32)30(24)15-22(33-3)34-4/h6-14,16,22H,5,15H2,1-4H3,(H,27,28)(H,31,32)/b13-11-
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n/an/a 34n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha (unknown origin) assessed as phosphorylation of ATF-2 by ELISA


J Med Chem 58: 443-56 (2015)


Article DOI: 10.1021/jm501557a
BindingDB Entry DOI: 10.7270/Q2RN39MX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50103010
PNG
(CHEMBL3394108)
Show SMILES CC(=O)Nc1cc(ccn1)-c1c(nc(S\C=C/C(O)=O)n1CC1CCCO1)-c1ccc(F)cc1
Show InChI InChI=1S/C24H23FN4O4S/c1-15(30)27-20-13-17(8-10-26-20)23-22(16-4-6-18(25)7-5-16)28-24(34-12-9-21(31)32)29(23)14-19-3-2-11-33-19/h4-10,12-13,19H,2-3,11,14H2,1H3,(H,31,32)(H,26,27,30)/b12-9-
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n/an/a 35n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of JNK3 (unknown origin) assessed as phosphorylation of ATF-2 by ELISA


J Med Chem 58: 443-56 (2015)


Article DOI: 10.1021/jm501557a
BindingDB Entry DOI: 10.7270/Q2RN39MX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50103129
PNG
(CHEMBL3394125)
Show SMILES OC(=O)\C=C/Sc1nc(c([nH]1)-c1ccnc(Nc2ccccc2)c1)-c1ccc(F)cc1
Show InChI InChI=1S/C23H17FN4O2S/c24-17-8-6-15(7-9-17)21-22(28-23(27-21)31-13-11-20(29)30)16-10-12-25-19(14-16)26-18-4-2-1-3-5-18/h1-14H,(H,25,26)(H,27,28)(H,29,30)/b13-11-
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n/an/a 36n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha (unknown origin) assessed as phosphorylation of ATF-2 by ELISA


J Med Chem 58: 443-56 (2015)


Article DOI: 10.1021/jm501557a
BindingDB Entry DOI: 10.7270/Q2RN39MX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50102919
PNG
(CHEMBL3394097)
Show SMILES CC(=O)CSc1nc(c(-c2ccnc(NC(C)=O)c2)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C20H19FN4O2S/c1-12(26)11-28-20-24-18(14-4-6-16(21)7-5-14)19(25(20)3)15-8-9-22-17(10-15)23-13(2)27/h4-10H,11H2,1-3H3,(H,22,23,27)
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n/an/a 36n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha (unknown origin) assessed as phosphorylation of ATF-2 by ELISA


J Med Chem 58: 443-56 (2015)


Article DOI: 10.1021/jm501557a
BindingDB Entry DOI: 10.7270/Q2RN39MX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50102911
PNG
(CHEMBL3394107)
Show SMILES CC(=O)Nc1cc(ccn1)-c1c(nc(S\C=C/C(O)=O)n1CC1CCCCC1)-c1ccc(F)cc1
Show InChI InChI=1S/C26H27FN4O3S/c1-17(32)29-22-15-20(11-13-28-22)25-24(19-7-9-21(27)10-8-19)30-26(35-14-12-23(33)34)31(25)16-18-5-3-2-4-6-18/h7-15,18H,2-6,16H2,1H3,(H,33,34)(H,28,29,32)/b14-12-
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n/an/a 39n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha (unknown origin) assessed as phosphorylation of ATF-2 by ELISA


J Med Chem 58: 443-56 (2015)


Article DOI: 10.1021/jm501557a
BindingDB Entry DOI: 10.7270/Q2RN39MX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50201502
PNG
(2-(3H-imidazo[4,5-c]pyridin-3-yl)-7-methyl-N-(3-mo...)
Show SMILES C[C@H](Nc1nc(nc2n(C)c(cc12)C(=O)NCCCN1CCOCC1)-n1cnc2ccncc12)c1ccccc1
Show InChI InChI=1S/C29H33N9O2/c1-20(21-7-4-3-5-8-21)33-26-22-17-24(28(39)31-10-6-12-37-13-15-40-16-14-37)36(2)27(22)35-29(34-26)38-19-32-23-9-11-30-18-25(23)38/h3-5,7-9,11,17-20H,6,10,12-16H2,1-2H3,(H,31,39)(H,33,34,35)/t20-/m0/s1
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n/an/a 42n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of JAK2 by kinase-Glo luminescent assay


Bioorg Med Chem Lett 17: 1250-3 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.018
BindingDB Entry DOI: 10.7270/Q2H70GMJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50201506
PNG
(2-(3H-imidazo[4,5-c]pyridin-3-yl)-7-methyl-N-(meth...)
Show SMILES C[C@H](Nc1nc(nc2n(C)c(cc12)C(=O)NS(C)(=O)=O)-n1cnc2ccncc12)c1ccccc1
Show InChI InChI=1S/C23H22N8O3S/c1-14(15-7-5-4-6-8-15)26-20-16-11-18(22(32)29-35(3,33)34)30(2)21(16)28-23(27-20)31-13-25-17-9-10-24-12-19(17)31/h4-14H,1-3H3,(H,29,32)(H,26,27,28)/t14-/m0/s1
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n/an/a 42n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of JAK3 by kinase-Glo luminescent assay


Bioorg Med Chem Lett 17: 1250-3 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.018
BindingDB Entry DOI: 10.7270/Q2H70GMJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50188347
PNG
(4-(2,6-dichloro-phenyl)-8-(4-diethylamino-phenylam...)
Show SMILES CCN(CC)c1ccc(Nc2ncc3C=C(N4N(CCC4=O)c3n2)c2c(Cl)cccc2Cl)cc1 |c:14|
Show InChI InChI=1S/C25H24Cl2N6O/c1-3-31(4-2)18-10-8-17(9-11-18)29-25-28-15-16-14-21(23-19(26)6-5-7-20(23)27)33-22(34)12-13-32(33)24(16)30-25/h5-11,14-15H,3-4,12-13H2,1-2H3,(H,28,29,30)
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n/an/a 43n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Lck in presence of 10 mM ATP


Bioorg Med Chem Lett 16: 4257-61 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.072
BindingDB Entry DOI: 10.7270/Q22V2FQD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50195342
PNG
(3-(2-(1H-benzo[d]imidazol-1-yl)-6-((1-methylpiperi...)
Show SMILES CN1CCC(Cc2cc(Nc3cc(O)ccc3C)nc(n2)-n2cnc3ccccc23)CC1
Show InChI InChI=1S/C25H28N6O/c1-17-7-8-20(32)15-22(17)28-24-14-19(13-18-9-11-30(2)12-10-18)27-25(29-24)31-16-26-21-5-3-4-6-23(21)31/h3-8,14-16,18,32H,9-13H2,1-2H3,(H,27,28,29)
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n/an/a 43n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Lck by ProFlour assay


Bioorg Med Chem Lett 16: 5973-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.132
BindingDB Entry DOI: 10.7270/Q2028R5P
More data for this
Ligand-Target Pair
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