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Compile Data Set for Download or QSAR

Found 398 hits with Last Name = 'grütter' and Initial = 'c'   
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
Myosin light chain kinase, smooth muscle


(Homo sapiens (Human))
BDBM6760
PNG
((+)-K-252a | CHEMBL281948 | K-252a | methyl (15S,1...)
Show SMILES COC(=O)[C@@]1(O)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C27H21N3O5/c1-26-27(33,25(32)34-2)11-18(35-26)29-16-9-5-3-7-13(16)20-21-15(12-28-24(21)31)19-14-8-4-6-10-17(14)30(26)23(19)22(20)29/h3-10,18,33H,11-12H2,1-2H3,(H,28,31)/t18?,26-,27-/m0/s1
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20n/an/an/an/an/an/an/an/a



Chemical Genomics Centre of the Max Planck Society

Curated by ChEMBL


Assay Description
Inhibition of MLCK by HTRF assay


Bioorg Med Chem 19: 429-39 (2011)


Article DOI: 10.1016/j.bmc.2010.11.007
BindingDB Entry DOI: 10.7270/Q22F7NQN
More data for this
Ligand-Target Pair
Myosin light chain kinase, smooth muscle


(Homo sapiens (Human))
BDBM50216683
PNG
(1-(5-iodonaphthalen-1-ylsulfonyl)-1,4-diazepane | ...)
Show SMILES Ic1cccc2c(cccc12)S(=O)(=O)N1CCCNCC1
Show InChI InChI=1S/C15H17IN2O2S/c16-14-6-1-5-13-12(14)4-2-7-15(13)21(19,20)18-10-3-8-17-9-11-18/h1-2,4-7,17H,3,8-11H2
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300n/an/an/an/an/an/an/an/a



Chemical Genomics Centre of the Max Planck Society

Curated by ChEMBL


Assay Description
Inhibition of MLCK by HTRF assay


Bioorg Med Chem 19: 429-39 (2011)


Article DOI: 10.1016/j.bmc.2010.11.007
BindingDB Entry DOI: 10.7270/Q22F7NQN
More data for this
Ligand-Target Pair
Myosin light chain kinase, smooth muscle


(Homo sapiens (Human))
BDBM50216681
PNG
(1-(5-chloronaphthalen-1-ylsulfonyl)-1,4-diazepane ...)
Show SMILES Clc1cccc2c(cccc12)S(=O)(=O)N1CCCNCC1
Show InChI InChI=1S/C15H17ClN2O2S/c16-14-6-1-5-13-12(14)4-2-7-15(13)21(19,20)18-10-3-8-17-9-11-18/h1-2,4-7,17H,3,8-11H2
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3.80E+3n/an/an/an/an/an/an/an/a



Chemical Genomics Centre of the Max Planck Society

Curated by ChEMBL


Assay Description
Inhibition of MLCK by HTRF assay


Bioorg Med Chem 19: 429-39 (2011)


Article DOI: 10.1016/j.bmc.2010.11.007
BindingDB Entry DOI: 10.7270/Q22F7NQN
More data for this
Ligand-Target Pair
Myosin light chain kinase, smooth muscle


(Homo sapiens (Human))
BDBM50111446
PNG
(5-Chloro-naphthalene-1-sulfonic acid (6-amino-hexy...)
Show SMILES NCCCCCCNS(=O)(=O)c1cccc2c(Cl)cccc12
Show InChI InChI=1S/C16H21ClN2O2S/c17-15-9-5-8-14-13(15)7-6-10-16(14)22(20,21)19-12-4-2-1-3-11-18/h5-10,19H,1-4,11-12,18H2
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1.10E+5n/an/an/an/an/an/an/an/a



Chemical Genomics Centre of the Max Planck Society

Curated by ChEMBL


Assay Description
Inhibition of MLCK by HTRF assay


Bioorg Med Chem 19: 429-39 (2011)


Article DOI: 10.1016/j.bmc.2010.11.007
BindingDB Entry DOI: 10.7270/Q22F7NQN
More data for this
Ligand-Target Pair
EGF-R Tyrosine Kinase


(Homo sapiens (Human))
BDBM4567
PNG
(4-anilinoquinazoline deriv. 2 | BMC163482 Compound...)
Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)c1
Show InChI InChI=1S/C17H13BrN4O/c1-2-16(23)21-13-6-7-15-14(9-13)17(20-10-19-15)22-12-5-3-4-11(18)8-12/h2-10H,1H2,(H,21,23)(H,19,20,22)
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n/an/a 0.0800n/an/an/an/a7.523



Chemical Genomics Centre of the Max Planck Society



Assay Description
The kinase reaction for EGFR consisted of BSA-supplemented kinase buffer, kinase, peptide, and ATP. For IC50 determinations, 10 different concentrati...


Bioorg Med Chem 16: 3482-8 (2008)


Article DOI: 10.1016/j.bmc.2008.02.053
BindingDB Entry DOI: 10.7270/Q2R20ZQ4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50425360
PNG
(CHEMBL2316207)
Show SMILES Fc1ccc(Nc2ccc3c(CCc4ccc(cc4C3=O)C(=O)NCCN3CCOCC3)c2)cc1NC(=O)c1ccccc1
Show InChI InChI=1S/C35H33FN4O4/c36-31-13-11-28(22-32(31)39-35(43)24-4-2-1-3-5-24)38-27-10-12-29-25(20-27)8-6-23-7-9-26(21-30(23)33(29)41)34(42)37-14-15-40-16-18-44-19-17-40/h1-5,7,9-13,20-22,38H,6,8,14-19H2,(H,37,42)(H,39,43)
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n/an/a 0.200n/an/an/an/an/an/a



University of T£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAP kinase (unknown origin) by ELISA


J Med Chem 56: 241-53 (2013)


Article DOI: 10.1021/jm301539x
BindingDB Entry DOI: 10.7270/Q2TB187B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
EGF-R Tyrosine Kinase


(Homo sapiens (Human))
BDBM4583
PNG
((2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4...)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C20H20BrN5O/c1-26(2)10-4-7-19(27)24-16-8-9-18-17(12-16)20(23-13-22-18)25-15-6-3-5-14(21)11-15/h3-9,11-13H,10H2,1-2H3,(H,24,27)(H,22,23,25)/b7-4+
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n/an/a 0.220n/an/an/an/a7.523



Chemical Genomics Centre of the Max Planck Society



Assay Description
The kinase reaction for EGFR consisted of BSA-supplemented kinase buffer, kinase, peptide, and ATP. For IC50 determinations, 10 different concentrati...


Bioorg Med Chem 16: 3482-8 (2008)


Article DOI: 10.1016/j.bmc.2008.02.053
BindingDB Entry DOI: 10.7270/Q2R20ZQ4
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50425359
PNG
(CHEMBL2316490)
Show SMILES Fc1ccc(Nc2ccc3c(CCc4ccc(OCCN5CCOCC5)cc4C3=O)c2)cc1NC(=O)c1ccsc1
Show InChI InChI=1S/C32H30FN3O4S/c33-29-8-5-25(18-30(29)35-32(38)23-9-16-41-20-23)34-24-4-7-27-22(17-24)2-1-21-3-6-26(19-28(21)31(27)37)40-15-12-36-10-13-39-14-11-36/h3-9,16-20,34H,1-2,10-15H2,(H,35,38)
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n/an/a 0.300n/an/an/an/an/an/a



University of T£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAP kinase (unknown origin) by ELISA


J Med Chem 56: 241-53 (2013)


Article DOI: 10.1021/jm301539x
BindingDB Entry DOI: 10.7270/Q2TB187B
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Gallus gallus (Chicken))
BDBM13216
PNG
(BMS-354825 | CHEMBL1421 | DASATINIB | N-(2-Chloro-...)
Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1
Show InChI InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)
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n/an/a 0.400 11n/an/an/a7.023



Chemical Genomics Centre of the Max Planck Society



Assay Description
IC50 determinations for cSrc kinases were measured with the HTRF KinEASE-TK assay from Cisbio according to the manufacturer instructions. A biotinyla...


J Med Chem 52: 3915-26 (2009)


Article DOI: 10.1021/jm9002928
BindingDB Entry DOI: 10.7270/Q2VT1QD3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
EGF-R Tyrosine Kinase


(Homo sapiens (Human))
BDBM31826
PNG
(4-aminoquinazoline, 2a | BMC163482 Compound 3 | CH...)
Show SMILES CCC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C17H15BrN4O/c1-2-16(23)21-13-6-7-15-14(9-13)17(20-10-19-15)22-12-5-3-4-11(18)8-12/h3-10H,2H2,1H3,(H,21,23)(H,19,20,22)
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n/an/a 0.430n/an/an/an/a7.523



Chemical Genomics Centre of the Max Planck Society



Assay Description
The kinase reaction for EGFR consisted of BSA-supplemented kinase buffer, kinase, peptide, and ATP. For IC50 determinations, 10 different concentrati...


Bioorg Med Chem 16: 3482-8 (2008)


Article DOI: 10.1016/j.bmc.2008.02.053
BindingDB Entry DOI: 10.7270/Q2R20ZQ4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50425384
PNG
(CHEMBL2316466)
Show SMILES Fc1cc(F)c(Nc2ccc3c(CCc4ccc(OCCN5CCOCC5)cc4C3=O)c2)cc1NC(=O)c1ccsc1
Show InChI InChI=1S/C32H29F2N3O4S/c33-27-17-28(34)30(36-32(39)22-7-14-42-19-22)18-29(27)35-23-4-6-25-21(15-23)2-1-20-3-5-24(16-26(20)31(25)38)41-13-10-37-8-11-40-12-9-37/h3-7,14-19,35H,1-2,8-13H2,(H,36,39)
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n/an/a 0.5n/an/an/an/an/an/a



University of T£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAP kinase (unknown origin) by ELISA


J Med Chem 56: 241-53 (2013)


Article DOI: 10.1021/jm301539x
BindingDB Entry DOI: 10.7270/Q2TB187B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50425358
PNG
(CHEMBL2316491)
Show SMILES Fc1ccc(Nc2ccc3c(CCc4ccc(OCCN5CCOCC5)cc4C3=O)c2)cc1NC(=O)c1cccs1
Show InChI InChI=1S/C32H30FN3O4S/c33-28-10-7-24(19-29(28)35-32(38)30-2-1-17-41-30)34-23-6-9-26-22(18-23)4-3-21-5-8-25(20-27(21)31(26)37)40-16-13-36-11-14-39-15-12-36/h1-2,5-10,17-20,34H,3-4,11-16H2,(H,35,38)
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n/an/a 0.700n/an/an/an/an/an/a



University of T£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAP kinase (unknown origin) by ELISA


J Med Chem 56: 241-53 (2013)


Article DOI: 10.1021/jm301539x
BindingDB Entry DOI: 10.7270/Q2TB187B
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Gallus gallus (Chicken))
BDBM50322535
PNG
(3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N...)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4cccnn34)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H27F3N6O/c1-20-5-6-22(16-21(20)8-10-25-18-33-27-4-3-11-34-38(25)27)28(39)35-24-9-7-23(26(17-24)29(30,31)32)19-37-14-12-36(2)13-15-37/h3-7,9,11,16-18H,12-15,19H2,1-2H3,(H,35,39)
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n/an/a 0.900n/an/an/an/an/an/a



Technical University of Dortmund

Curated by ChEMBL


Assay Description
Inhibition of chicken wild-type cSRC (251 to 533)-mediated phosphorylation of biotinylated poly-Glu-Tyr expressed in Escherichia coli BL21(DE3) prein...


J Med Chem 56: 5757-72 (2014)


Article DOI: 10.1021/jm4004076
BindingDB Entry DOI: 10.7270/Q2W37XPH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50425357
PNG
(CHEMBL2316485)
Show SMILES Fc1ccc(Nc2ccc3c(CCc4ccc(OCCN5CCOCC5)cc4C3=O)c2)cc1NC(=O)c1ccccc1
Show InChI InChI=1S/C34H32FN3O4/c35-31-13-10-27(21-32(31)37-34(40)24-4-2-1-3-5-24)36-26-9-12-29-25(20-26)7-6-23-8-11-28(22-30(23)33(29)39)42-19-16-38-14-17-41-18-15-38/h1-5,8-13,20-22,36H,6-7,14-19H2,(H,37,40)
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n/an/a 1n/an/an/an/an/an/a



University of T£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAP kinase (unknown origin) by ELISA


J Med Chem 56: 241-53 (2013)


Article DOI: 10.1021/jm301539x
BindingDB Entry DOI: 10.7270/Q2TB187B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50425352
PNG
(CHEMBL2316486)
Show SMILES OC[C@H](O)COc1ccc2CCc3cc(Nc4ccc(F)c(NC(=O)c5ccccc5)c4)ccc3C(=O)c2c1 |r|
Show InChI InChI=1S/C31H27FN2O5/c32-28-13-10-23(15-29(28)34-31(38)20-4-2-1-3-5-20)33-22-9-12-26-21(14-22)7-6-19-8-11-25(16-27(19)30(26)37)39-18-24(36)17-35/h1-5,8-16,24,33,35-36H,6-7,17-18H2,(H,34,38)/t24-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



University of T£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAP kinase (unknown origin) by ELISA


J Med Chem 56: 241-53 (2013)


Article DOI: 10.1021/jm301539x
BindingDB Entry DOI: 10.7270/Q2TB187B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50425356
PNG
(CHEMBL2316489)
Show SMILES Fc1ccc(Nc2ccc3c(CCc4ccc(OCCN5CCOCC5)cc4C3=O)c2)cc1NC(=O)c1ccoc1
Show InChI InChI=1S/C32H30FN3O5/c33-29-8-5-25(18-30(29)35-32(38)23-9-13-40-20-23)34-24-4-7-27-22(17-24)2-1-21-3-6-26(19-28(21)31(27)37)41-16-12-36-10-14-39-15-11-36/h3-9,13,17-20,34H,1-2,10-12,14-16H2,(H,35,38)
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n/an/a 1n/an/an/an/an/an/a



University of T£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAP kinase (unknown origin) by ELISA


J Med Chem 56: 241-53 (2013)


Article DOI: 10.1021/jm301539x
BindingDB Entry DOI: 10.7270/Q2TB187B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50425355
PNG
(CHEMBL2316494)
Show SMILES Cc1cc(F)c(NC(=O)c2ccoc2)cc1Nc1ccc2c(CCc3ccc(OCCN4CCOCC4)cc3C2=O)c1
Show InChI InChI=1S/C33H32FN3O5/c1-21-16-29(34)31(36-33(39)24-8-12-41-20-24)19-30(21)35-25-5-7-27-23(17-25)3-2-22-4-6-26(18-28(22)32(27)38)42-15-11-37-9-13-40-14-10-37/h4-8,12,16-20,35H,2-3,9-11,13-15H2,1H3,(H,36,39)
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n/an/a 1n/an/an/an/an/an/a



University of T£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAP kinase (unknown origin) by ELISA


J Med Chem 56: 241-53 (2013)


Article DOI: 10.1021/jm301539x
BindingDB Entry DOI: 10.7270/Q2TB187B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50425354
PNG
(CHEMBL2316497)
Show SMILES Fc1cc(F)c(Nc2ccc3c(CCc4ccc(OCCN5CCOCC5)cc4C3=O)c2)cc1NC(=O)c1ccccc1
Show InChI InChI=1S/C34H31F2N3O4/c35-29-20-30(36)32(38-34(41)23-4-2-1-3-5-23)21-31(29)37-25-9-11-27-24(18-25)7-6-22-8-10-26(19-28(22)33(27)40)43-17-14-39-12-15-42-16-13-39/h1-5,8-11,18-21,37H,6-7,12-17H2,(H,38,41)
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n/an/a 1n/an/an/an/an/an/a



University of T£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAP kinase (unknown origin) by ELISA


J Med Chem 56: 241-53 (2013)


Article DOI: 10.1021/jm301539x
BindingDB Entry DOI: 10.7270/Q2TB187B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50425353
PNG
(CHEMBL2316206)
Show SMILES Fc1ccc(Nc2ccc3c(CCc4ccc(cc4C3=O)C(=O)OCCN3CCOCC3)c2)c(F)c1
Show InChI InChI=1S/C28H26F2N2O4/c29-21-5-8-26(25(30)17-21)31-22-6-7-23-19(15-22)3-1-18-2-4-20(16-24(18)27(23)33)28(34)36-14-11-32-9-12-35-13-10-32/h2,4-8,15-17,31H,1,3,9-14H2
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n/an/a 1n/an/an/an/an/an/a



University of T£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAP kinase (unknown origin) by ELISA


J Med Chem 56: 241-53 (2013)


Article DOI: 10.1021/jm301539x
BindingDB Entry DOI: 10.7270/Q2TB187B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50425352
PNG
(CHEMBL2316486)
Show SMILES OC[C@H](O)COc1ccc2CCc3cc(Nc4ccc(F)c(NC(=O)c5ccccc5)c4)ccc3C(=O)c2c1 |r|
Show InChI InChI=1S/C31H27FN2O5/c32-28-13-10-23(15-29(28)34-31(38)20-4-2-1-3-5-20)33-22-9-12-26-21(14-22)7-6-19-8-11-25(16-27(19)30(26)37)39-18-24(36)17-35/h1-5,8-16,24,33,35-36H,6-7,17-18H2,(H,34,38)/t24-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



University of T£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAP kinase (unknown origin) in presence of 100 uM ATP


J Med Chem 56: 241-53 (2013)


Article DOI: 10.1021/jm301539x
BindingDB Entry DOI: 10.7270/Q2TB187B
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Gallus gallus (Chicken))
BDBM92348
PNG
(1,4-Hybrid, 6)
Show SMILES CN(C)CCCC(=O)Nc1ccc2ncnc(Nc3ccc(NC(=O)Nc4cc(nn4-c4cccc(N)c4)C(C)(C)C)cc3)c2c1
Show InChI InChI=1S/C34H40N10O2/c1-34(2,3)29-20-30(44(42-29)26-9-6-8-22(35)18-26)41-33(46)40-24-13-11-23(12-14-24)39-32-27-19-25(15-16-28(27)36-21-37-32)38-31(45)10-7-17-43(4)5/h6,8-9,11-16,18-21H,7,10,17,35H2,1-5H3,(H,38,45)(H,36,37,39)(H2,40,41,46)
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n/an/a 1.10n/an/an/an/an/an/a



Technical University of Dortmund

Curated by ChEMBL


Assay Description
Inhibition of chicken wild-type cSRC (251 to 533)-mediated phosphorylation of biotinylated poly-Glu-Tyr expressed in Escherichia coli BL21(DE3) prein...


J Med Chem 56: 5757-72 (2014)


Article DOI: 10.1021/jm4004076
BindingDB Entry DOI: 10.7270/Q2W37XPH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Proto-oncogene tyrosine-protein kinase Src


(Gallus gallus (Chicken))
BDBM50437150
PNG
(CHEMBL2403820)
Show SMILES CN1CCN(CCC(=O)Nc2ccc3ncnc(Nc4ccc(NC(=O)Nc5cc(nn5-c5cccc(N)c5)C(C)(C)C)cc4)c3c2)CC1
Show InChI InChI=1S/C36H43N11O2/c1-36(2,3)31-22-32(47(44-31)28-7-5-6-24(37)20-28)43-35(49)42-26-10-8-25(9-11-26)41-34-29-21-27(12-13-30(29)38-23-39-34)40-33(48)14-15-46-18-16-45(4)17-19-46/h5-13,20-23H,14-19,37H2,1-4H3,(H,40,48)(H,38,39,41)(H2,42,43,49)
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n/an/a 1.10n/an/an/an/an/an/a



Technical University of Dortmund

Curated by ChEMBL


Assay Description
Inhibition of chicken wild-type cSRC (251 to 533)-mediated phosphorylation of biotinylated poly-Glu-Tyr expressed in Escherichia coli BL21(DE3) prein...


J Med Chem 56: 5757-72 (2014)


Article DOI: 10.1021/jm4004076
BindingDB Entry DOI: 10.7270/Q2W37XPH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Proto-oncogene tyrosine-protein kinase Src


(Gallus gallus (Chicken))
BDBM92347
PNG
(1,4-Hybrid, 5)
Show SMILES CCC(=O)Nc1ccc2ncnc(Nc3ccc(NC(=O)Nc4cc(nn4-c4cccc(N)c4)C(C)(C)C)cc3)c2c1
Show InChI InChI=1S/C31H33N9O2/c1-5-28(41)35-22-13-14-25-24(16-22)29(34-18-33-25)36-20-9-11-21(12-10-20)37-30(42)38-27-17-26(31(2,3)4)39-40(27)23-8-6-7-19(32)15-23/h6-18H,5,32H2,1-4H3,(H,35,41)(H,33,34,36)(H2,37,38,42)
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n/an/a 1.20n/an/an/an/an/an/a



Technical University of Dortmund

Curated by ChEMBL


Assay Description
Inhibition of chicken wild-type cSRC (251 to 533)-mediated phosphorylation of biotinylated poly-Glu-Tyr expressed in Escherichia coli BL21(DE3) prein...


J Med Chem 56: 5757-72 (2014)


Article DOI: 10.1021/jm4004076
BindingDB Entry DOI: 10.7270/Q2W37XPH
More data for this
Ligand-Target Pair
EGF-R Tyrosine Kinase Mutant (T790M)


(Homo sapiens (Human))
BDBM4567
PNG
(4-anilinoquinazoline deriv. 2 | BMC163482 Compound...)
Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)c1
Show InChI InChI=1S/C17H13BrN4O/c1-2-16(23)21-13-6-7-15-14(9-13)17(20-10-19-15)22-12-5-3-4-11(18)8-12/h2-10H,1H2,(H,21,23)(H,19,20,22)
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n/an/a 1.20n/an/an/an/a7.523



Chemical Genomics Centre of the Max Planck Society



Assay Description
The kinase reaction for EGFR consisted of BSA-supplemented kinase buffer, kinase, peptide, and ATP. For IC50 determinations, 10 different concentrati...


Bioorg Med Chem 16: 3482-8 (2008)


Article DOI: 10.1016/j.bmc.2008.02.053
BindingDB Entry DOI: 10.7270/Q2R20ZQ4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50425351
PNG
(CHEMBL2316483)
Show SMILES OCCOc1ccc2CCc3cc(Nc4ccc(F)c(NC(=O)c5ccccc5)c4)ccc3C(=O)c2c1
Show InChI InChI=1S/C30H25FN2O4/c31-27-13-10-23(17-28(27)33-30(36)20-4-2-1-3-5-20)32-22-9-12-25-21(16-22)7-6-19-8-11-24(37-15-14-34)18-26(19)29(25)35/h1-5,8-13,16-18,32,34H,6-7,14-15H2,(H,33,36)
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University of T£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAP kinase (unknown origin) by ELISA


J Med Chem 56: 241-53 (2013)


Article DOI: 10.1021/jm301539x
BindingDB Entry DOI: 10.7270/Q2TB187B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50425347
PNG
(CHEMBL2316474)
Show SMILES CSCCNC(=O)c1ccc2CCc3cc(Nc4ccc(F)cc4F)ccc3C(=O)c2c1
Show InChI InChI=1S/C25H22F2N2O2S/c1-32-11-10-28-25(31)17-5-3-15-2-4-16-12-19(7-8-20(16)24(30)21(15)13-17)29-23-9-6-18(26)14-22(23)27/h3,5-9,12-14,29H,2,4,10-11H2,1H3,(H,28,31)
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University of T£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAP kinase (unknown origin) by ELISA


J Med Chem 56: 241-53 (2013)


Article DOI: 10.1021/jm301539x
BindingDB Entry DOI: 10.7270/Q2TB187B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50425346
PNG
(CHEMBL2316479)
Show SMILES OCC(O)CNC(=O)c1ccc2CCc3cc(Nc4ccc(F)cc4F)ccc3C(=O)c2c1
Show InChI InChI=1S/C25H22F2N2O4/c26-17-5-8-23(22(27)11-17)29-18-6-7-20-15(9-18)3-1-14-2-4-16(10-21(14)24(20)32)25(33)28-12-19(31)13-30/h2,4-11,19,29-31H,1,3,12-13H2,(H,28,33)
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n/an/a 2n/an/an/an/an/an/a



University of T£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAP kinase (unknown origin) by ELISA


J Med Chem 56: 241-53 (2013)


Article DOI: 10.1021/jm301539x
BindingDB Entry DOI: 10.7270/Q2TB187B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50425345
PNG
(CHEMBL2316201)
Show SMILES COC(=O)c1ccc2CCc3cc(Nc4ccc(F)cc4F)ccc3C(=O)c2c1
Show InChI InChI=1S/C23H17F2NO3/c1-29-23(28)15-5-3-13-2-4-14-10-17(7-8-18(14)22(27)19(13)11-15)26-21-9-6-16(24)12-20(21)25/h3,5-12,26H,2,4H2,1H3
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University of T£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAP kinase (unknown origin) by ELISA


J Med Chem 56: 241-53 (2013)


Article DOI: 10.1021/jm301539x
BindingDB Entry DOI: 10.7270/Q2TB187B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50425344
PNG
(CHEMBL2316205)
Show SMILES OCCOC(=O)c1ccc2CCc3cc(Nc4ccc(F)cc4F)ccc3C(=O)c2c1
Show InChI InChI=1S/C24H19F2NO4/c25-17-5-8-22(21(26)13-17)27-18-6-7-19-15(11-18)3-1-14-2-4-16(12-20(14)23(19)29)24(30)31-10-9-28/h2,4-8,11-13,27-28H,1,3,9-10H2
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n/an/a 2n/an/an/an/an/an/a



University of T£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAP kinase (unknown origin) by ELISA


J Med Chem 56: 241-53 (2013)


Article DOI: 10.1021/jm301539x
BindingDB Entry DOI: 10.7270/Q2TB187B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50425349
PNG
(CHEMBL2316492)
Show SMILES CC1(C)OC[C@H](COc2ccc3CCc4cc(Nc5ccc(F)c(NC(=O)c6cccs6)c5)ccc4C(=O)c3c2)O1 |r|
Show InChI InChI=1S/C32H29FN2O5S/c1-32(2)39-18-24(40-32)17-38-23-10-7-19-5-6-20-14-21(8-11-25(20)30(36)26(19)16-23)34-22-9-12-27(33)28(15-22)35-31(37)29-4-3-13-41-29/h3-4,7-16,24,34H,5-6,17-18H2,1-2H3,(H,35,37)/t24-/m0/s1
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University of T£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAP kinase (unknown origin) by ELISA


J Med Chem 56: 241-53 (2013)


Article DOI: 10.1021/jm301539x
BindingDB Entry DOI: 10.7270/Q2TB187B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50425350
PNG
(CHEMBL2316488)
Show SMILES OCCOc1ccc2CCc3cc(Nc4cc(NC(=O)c5ccccc5)ccc4F)ccc3C(=O)c2c1
Show InChI InChI=1S/C30H25FN2O4/c31-27-13-10-23(33-30(36)20-4-2-1-3-5-20)17-28(27)32-22-9-12-25-21(16-22)7-6-19-8-11-24(37-15-14-34)18-26(19)29(25)35/h1-5,8-13,16-18,32,34H,6-7,14-15H2,(H,33,36)
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n/an/a 2n/an/an/an/an/an/a



University of T£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAP kinase (unknown origin) by ELISA


J Med Chem 56: 241-53 (2013)


Article DOI: 10.1021/jm301539x
BindingDB Entry DOI: 10.7270/Q2TB187B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50425348
PNG
(CHEMBL2316472)
Show SMILES FCCNC(=O)c1ccc2CCc3cc(Nc4ccc(F)cc4F)ccc3C(=O)c2c1
Show InChI InChI=1S/C24H19F3N2O2/c25-9-10-28-24(31)16-4-2-14-1-3-15-11-18(6-7-19(15)23(30)20(14)12-16)29-22-8-5-17(26)13-21(22)27/h2,4-8,11-13,29H,1,3,9-10H2,(H,28,31)
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University of T£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAP kinase (unknown origin) by ELISA


J Med Chem 56: 241-53 (2013)


Article DOI: 10.1021/jm301539x
BindingDB Entry DOI: 10.7270/Q2TB187B
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50322535
PNG
(3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N...)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4cccnn34)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H27F3N6O/c1-20-5-6-22(16-21(20)8-10-25-18-33-27-4-3-11-34-38(25)27)28(39)35-24-9-7-23(26(17-24)29(30,31)32)19-37-14-12-36(2)13-15-37/h3-7,9,11,16-18H,12-15,19H2,1-2H3,(H,35,39)
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n/an/a 2.90n/an/an/an/an/an/a



Technical University of Dortmund

Curated by ChEMBL


Assay Description
Inhibition of human wild-type ABL (Ser229 to Gln513)-mediated phosphorylation of biotinylated poly-Glu-Tyr expressed in Escherichia coli BL21(DE3) pr...


J Med Chem 56: 5757-72 (2014)


Article DOI: 10.1021/jm4004076
BindingDB Entry DOI: 10.7270/Q2W37XPH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
EGF-R Tyrosine Kinase Mutant (T790M)


(Homo sapiens (Human))
BDBM4583
PNG
((2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4...)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C20H20BrN5O/c1-26(2)10-4-7-19(27)24-16-8-9-18-17(12-16)20(23-13-22-18)25-15-6-3-5-14(21)11-15/h3-9,11-13H,10H2,1-2H3,(H,24,27)(H,22,23,25)/b7-4+
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n/an/a 3n/an/an/an/a7.523



Chemical Genomics Centre of the Max Planck Society



Assay Description
The kinase reaction for EGFR consisted of BSA-supplemented kinase buffer, kinase, peptide, and ATP. For IC50 determinations, 10 different concentrati...


Bioorg Med Chem 16: 3482-8 (2008)


Article DOI: 10.1016/j.bmc.2008.02.053
BindingDB Entry DOI: 10.7270/Q2R20ZQ4
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50425352
PNG
(CHEMBL2316486)
Show SMILES OC[C@H](O)COc1ccc2CCc3cc(Nc4ccc(F)c(NC(=O)c5ccccc5)c4)ccc3C(=O)c2c1 |r|
Show InChI InChI=1S/C31H27FN2O5/c32-28-13-10-23(15-29(28)34-31(38)20-4-2-1-3-5-20)33-22-9-12-26-21(14-22)7-6-19-8-11-25(16-27(19)30(26)37)39-18-24(36)17-35/h1-5,8-16,24,33,35-36H,6-7,17-18H2,(H,34,38)/t24-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



University of T£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAP kinase (unknown origin) in presence of 300 uM ATP


J Med Chem 56: 241-53 (2013)


Article DOI: 10.1021/jm301539x
BindingDB Entry DOI: 10.7270/Q2TB187B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50425340
PNG
(CHEMBL2316477)
Show SMILES Fc1ccc(Nc2ccc3c(CCc4ccc(cc4C3=O)C(=O)NCCN3CCOCC3)c2)c(F)c1
Show InChI InChI=1S/C28H27F2N3O3/c29-21-5-8-26(25(30)17-21)32-22-6-7-23-19(15-22)3-1-18-2-4-20(16-24(18)27(23)34)28(35)31-9-10-33-11-13-36-14-12-33/h2,4-8,15-17,32H,1,3,9-14H2,(H,31,35)
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n/an/a 3n/an/an/an/an/an/a



University of T£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAP kinase (unknown origin) by ELISA


J Med Chem 56: 241-53 (2013)


Article DOI: 10.1021/jm301539x
BindingDB Entry DOI: 10.7270/Q2TB187B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50425339
PNG
(CHEMBL2316481)
Show SMILES CN(C)CCNC(=O)c1ccc2CCc3cc(Nc4ccc(F)cc4F)ccc3C(=O)c2c1
Show InChI InChI=1S/C26H25F2N3O2/c1-31(2)12-11-29-26(33)18-6-4-16-3-5-17-13-20(8-9-21(17)25(32)22(16)14-18)30-24-10-7-19(27)15-23(24)28/h4,6-10,13-15,30H,3,5,11-12H2,1-2H3,(H,29,33)
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n/an/a 3n/an/an/an/an/an/a



University of T£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAP kinase (unknown origin) by ELISA


J Med Chem 56: 241-53 (2013)


Article DOI: 10.1021/jm301539x
BindingDB Entry DOI: 10.7270/Q2TB187B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50425338
PNG
(CHEMBL2316202)
Show SMILES CCOC(=O)c1ccc2CCc3cc(Nc4ccc(F)cc4F)ccc3C(=O)c2c1
Show InChI InChI=1S/C24H19F2NO3/c1-2-30-24(29)16-6-4-14-3-5-15-11-18(8-9-19(15)23(28)20(14)12-16)27-22-10-7-17(25)13-21(22)26/h4,6-13,27H,2-3,5H2,1H3
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n/an/a 3n/an/an/an/an/an/a



University of T£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAP kinase (unknown origin) by ELISA


J Med Chem 56: 241-53 (2013)


Article DOI: 10.1021/jm301539x
BindingDB Entry DOI: 10.7270/Q2TB187B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50425343
PNG
(CHEMBL2316470)
Show SMILES CNC(=O)c1ccc2CCc3cc(Nc4ccc(F)cc4F)ccc3C(=O)c2c1
Show InChI InChI=1S/C23H18F2N2O2/c1-26-23(29)15-5-3-13-2-4-14-10-17(7-8-18(14)22(28)19(13)11-15)27-21-9-6-16(24)12-20(21)25/h3,5-12,27H,2,4H2,1H3,(H,26,29)
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n/an/a 3n/an/an/an/an/an/a



University of T£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAP kinase (unknown origin) by ELISA


J Med Chem 56: 241-53 (2013)


Article DOI: 10.1021/jm301539x
BindingDB Entry DOI: 10.7270/Q2TB187B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50425342
PNG
(CHEMBL2316473)
Show SMILES Fc1ccc(Nc2ccc3c(CCc4ccc(cc4C3=O)C(=O)NCCCl)c2)c(F)c1
Show InChI InChI=1S/C24H19ClF2N2O2/c25-9-10-28-24(31)16-4-2-14-1-3-15-11-18(6-7-19(15)23(30)20(14)12-16)29-22-8-5-17(26)13-21(22)27/h2,4-8,11-13,29H,1,3,9-10H2,(H,28,31)
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n/an/a 3n/an/an/an/an/an/a



University of T£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAP kinase (unknown origin) by ELISA


J Med Chem 56: 241-53 (2013)


Article DOI: 10.1021/jm301539x
BindingDB Entry DOI: 10.7270/Q2TB187B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50425341
PNG
(CHEMBL2316476)
Show SMILES CS(=O)(=O)CCNC(=O)c1ccc2CCc3cc(Nc4ccc(F)cc4F)ccc3C(=O)c2c1
Show InChI InChI=1S/C25H22F2N2O4S/c1-34(32,33)11-10-28-25(31)17-5-3-15-2-4-16-12-19(7-8-20(16)24(30)21(15)13-17)29-23-9-6-18(26)14-22(23)27/h3,5-9,12-14,29H,2,4,10-11H2,1H3,(H,28,31)
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n/an/a 3n/an/an/an/an/an/a



University of T£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAP kinase (unknown origin) by ELISA


J Med Chem 56: 241-53 (2013)


Article DOI: 10.1021/jm301539x
BindingDB Entry DOI: 10.7270/Q2TB187B
More data for this
Ligand-Target Pair
EGF-R Tyrosine Kinase


(Homo sapiens (Human))
BDBM5446
PNG
(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)
Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)
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n/an/a 3.60n/an/an/an/a7.523



Chemical Genomics Centre of the Max Planck Society



Assay Description
The kinase reaction for EGFR consisted of BSA-supplemented kinase buffer, kinase, peptide, and ATP. For IC50 determinations, 10 different concentrati...


Bioorg Med Chem 16: 3482-8 (2008)


Article DOI: 10.1016/j.bmc.2008.02.053
BindingDB Entry DOI: 10.7270/Q2R20ZQ4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50425369
PNG
(CHEMBL2316208)
Show SMILES Fc1cc(F)c(Nc2ccc3c(CCc4ccccc4C3=O)c2)cc1NC(=O)c1ccccc1
Show InChI InChI=1S/C28H20F2N2O2/c29-23-15-24(30)26(32-28(34)18-7-2-1-3-8-18)16-25(23)31-20-12-13-22-19(14-20)11-10-17-6-4-5-9-21(17)27(22)33/h1-9,12-16,31H,10-11H2,(H,32,34)
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n/an/a 4n/an/an/an/an/an/a



University of T£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAP kinase (unknown origin) by ELISA


J Med Chem 56: 241-53 (2013)


Article DOI: 10.1021/jm301539x
BindingDB Entry DOI: 10.7270/Q2TB187B
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Gallus gallus (Chicken))
BDBM50437149
PNG
(CHEMBL2403821)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Nc3ncnc4ccc(NC(=O)CCN5CCOCC5)cc34)cc2)n(n1)-c1cccc(N)c1
Show InChI InChI=1S/C35H40N10O3/c1-35(2,3)30-21-31(45(43-30)27-6-4-5-23(36)19-27)42-34(47)41-25-9-7-24(8-10-25)40-33-28-20-26(11-12-29(28)37-22-38-33)39-32(46)13-14-44-15-17-48-18-16-44/h4-12,19-22H,13-18,36H2,1-3H3,(H,39,46)(H,37,38,40)(H2,41,42,47)
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n/an/a 4.70n/an/an/an/an/an/a



Technical University of Dortmund

Curated by ChEMBL


Assay Description
Inhibition of chicken wild-type cSRC (251 to 533)-mediated phosphorylation of biotinylated poly-Glu-Tyr expressed in Escherichia coli BL21(DE3) prein...


J Med Chem 56: 5757-72 (2014)


Article DOI: 10.1021/jm4004076
BindingDB Entry DOI: 10.7270/Q2W37XPH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50425382
PNG
(CHEMBL2316197)
Show SMILES COC(=O)CC[C@H](NC(=O)c1ccc2CCc3cc(Nc4ccc(F)cc4F)ccc3C(=O)c2c1)C(=O)OC |r|
Show InChI InChI=1S/C29H26F2N2O6/c1-38-26(34)12-11-25(29(37)39-2)33-28(36)18-6-4-16-3-5-17-13-20(8-9-21(17)27(35)22(16)14-18)32-24-10-7-19(30)15-23(24)31/h4,6-10,13-15,25,32H,3,5,11-12H2,1-2H3,(H,33,36)/t25-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



University of T£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAP kinase (unknown origin) by ELISA


J Med Chem 56: 241-53 (2013)


Article DOI: 10.1021/jm301539x
BindingDB Entry DOI: 10.7270/Q2TB187B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50392175
PNG
(CHEMBL2152944)
Show SMILES OC[C@@H](O)COc1ccc2CCc3cc(Nc4ccc(F)cc4F)ccc3C(=O)c2c1 |r|
Show InChI InChI=1S/C24H21F2NO4/c25-16-4-8-23(22(26)10-16)27-17-5-7-20-15(9-17)2-1-14-3-6-19(11-21(14)24(20)30)31-13-18(29)12-28/h3-11,18,27-29H,1-2,12-13H2/t18-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Eberhard-Karls-University

Curated by ChEMBL


Assay Description
Inhibition of p38alpha by immunosorbent based kinase assay


J Med Chem 55: 5868-77 (2012)


Article DOI: 10.1021/jm300327h
BindingDB Entry DOI: 10.7270/Q2CV4JTJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50425379
PNG
(CHEMBL2316478)
Show SMILES OCCNC(=O)c1ccc2CCc3cc(Nc4ccc(F)cc4F)ccc3C(=O)c2c1
Show InChI InChI=1S/C24H20F2N2O3/c25-17-5-8-22(21(26)13-17)28-18-6-7-19-15(11-18)3-1-14-2-4-16(12-20(14)23(19)30)24(31)27-9-10-29/h2,4-8,11-13,28-29H,1,3,9-10H2,(H,27,31)
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n/an/a 5n/an/an/an/an/an/a



University of T£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAP kinase (unknown origin) by ELISA


J Med Chem 56: 241-53 (2013)


Article DOI: 10.1021/jm301539x
BindingDB Entry DOI: 10.7270/Q2TB187B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50392175
PNG
(CHEMBL2152944)
Show SMILES OC[C@@H](O)COc1ccc2CCc3cc(Nc4ccc(F)cc4F)ccc3C(=O)c2c1 |r|
Show InChI InChI=1S/C24H21F2NO4/c25-16-4-8-23(22(26)10-16)27-17-5-7-20-15(9-17)2-1-14-3-6-19(11-21(14)24(20)30)31-13-18(29)12-28/h3-11,18,27-29H,1-2,12-13H2/t18-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



University of T£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAP kinase (unknown origin) by ELISA


J Med Chem 56: 241-53 (2013)


Article DOI: 10.1021/jm301539x
BindingDB Entry DOI: 10.7270/Q2TB187B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50425375
PNG
(CHEMBL2316475)
Show SMILES COCCNC(=O)c1ccc2CCc3cc(Nc4ccc(F)cc4F)ccc3C(=O)c2c1
Show InChI InChI=1S/C25H22F2N2O3/c1-32-11-10-28-25(31)17-5-3-15-2-4-16-12-19(7-8-20(16)24(30)21(15)13-17)29-23-9-6-18(26)14-22(23)27/h3,5-9,12-14,29H,2,4,10-11H2,1H3,(H,28,31)
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n/an/a 5n/an/an/an/an/an/a



University of T£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAP kinase (unknown origin) by ELISA


J Med Chem 56: 241-53 (2013)


Article DOI: 10.1021/jm301539x
BindingDB Entry DOI: 10.7270/Q2TB187B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50392190
PNG
(CHEMBL2152960)
Show SMILES OC[C@H](O)COc1ccc2c(CCc3cc(Nc4ccc(F)cc4F)ccc3C2=O)c1 |r|
Show InChI InChI=1S/C24H21F2NO4/c25-16-3-8-23(22(26)11-16)27-17-4-6-20-14(9-17)1-2-15-10-19(31-13-18(29)12-28)5-7-21(15)24(20)30/h3-11,18,27-29H,1-2,12-13H2/t18-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Eberhard-Karls-University

Curated by ChEMBL


Assay Description
Inhibition of p38alpha by immunosorbent based kinase assay


J Med Chem 55: 5868-77 (2012)


Article DOI: 10.1021/jm300327h
BindingDB Entry DOI: 10.7270/Q2CV4JTJ
More data for this
Ligand-Target Pair
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