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Compile Data Set for Download or QSAR

Found 33 hits from Deciphera Pharmaceuticals LLC   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50328774
PNG
(2-(3-(3-cyclopentyl-5-(3-(2,3-dichlorophenyl)ureid...)
Show SMILES NC(=O)Cc1cccc(c1)-n1nc(cc1NC(=O)Nc1cccc(Cl)c1Cl)C1CCCC1
Show InChI InChI=1S/C23H23Cl2N5O2/c24-17-9-4-10-18(22(17)25)27-23(32)28-21-13-19(15-6-1-2-7-15)29-30(21)16-8-3-5-14(11-16)12-20(26)31/h3-5,8-11,13,15H,1-2,6-7,12H2,(H2,26,31)(H2,27,28,32)
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n/an/a 5n/an/an/an/an/an/a



Deciphera Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Binding affinity to unphosphorylated p38alpha by fluoroprobe binding assay


Bioorg Med Chem Lett 20: 5793-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.134
BindingDB Entry DOI: 10.7270/Q2XD11WK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50328768
PNG
(1-(5-tert-Butyl-2-{4-[2-(1,1-dioxo-1lambda6-thiomo...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2cccc(Cl)c2Cl)n(n1)-c1ccc(CC(=O)N2CCS(=O)(=O)CC2)cc1
Show InChI InChI=1S/C26H29Cl2N5O4S/c1-26(2,3)21-16-22(30-25(35)29-20-6-4-5-19(27)24(20)28)33(31-21)18-9-7-17(8-10-18)15-23(34)32-11-13-38(36,37)14-12-32/h4-10,16H,11-15H2,1-3H3,(H2,29,30,35)
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n/an/a 7n/an/an/an/an/an/a



Deciphera Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of p38alpha by fluoroprobe binding assay


Bioorg Med Chem Lett 20: 5793-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.134
BindingDB Entry DOI: 10.7270/Q2XD11WK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50328755
PNG
(2-(3-(3-tert-butyl-5-(3-(2,3-dichlorophenyl)ureido...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2cccc(Cl)c2Cl)n(n1)-c1cccc(CC(N)=O)c1
Show InChI InChI=1S/C22H23Cl2N5O2/c1-22(2,3)17-12-19(27-21(31)26-16-9-5-8-15(23)20(16)24)29(28-17)14-7-4-6-13(10-14)11-18(25)30/h4-10,12H,11H2,1-3H3,(H2,25,30)(H2,26,27,31)
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n/an/a 9n/an/an/an/an/an/a



Deciphera Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Binding affinity to unphosphorylated p38alpha by fluoroprobe binding assay


Bioorg Med Chem Lett 20: 5793-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.134
BindingDB Entry DOI: 10.7270/Q2XD11WK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50328774
PNG
(2-(3-(3-cyclopentyl-5-(3-(2,3-dichlorophenyl)ureid...)
Show SMILES NC(=O)Cc1cccc(c1)-n1nc(cc1NC(=O)Nc1cccc(Cl)c1Cl)C1CCCC1
Show InChI InChI=1S/C23H23Cl2N5O2/c24-17-9-4-10-18(22(17)25)27-23(32)28-21-13-19(15-6-1-2-7-15)29-30(21)16-8-3-5-14(11-16)12-20(26)31/h3-5,8-11,13,15H,1-2,6-7,12H2,(H2,26,31)(H2,27,28,32)
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n/an/a 10n/an/an/an/an/an/a



Deciphera Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Binding affinity to phosphorylated p38alpha by fluoroprobe binding assay


Bioorg Med Chem Lett 20: 5793-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.134
BindingDB Entry DOI: 10.7270/Q2XD11WK
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (human))
BDBM50328755
PNG
(2-(3-(3-tert-butyl-5-(3-(2,3-dichlorophenyl)ureido...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2cccc(Cl)c2Cl)n(n1)-c1cccc(CC(N)=O)c1
Show InChI InChI=1S/C22H23Cl2N5O2/c1-22(2,3)17-12-19(27-21(31)26-16-9-5-8-15(23)20(16)24)29(28-17)14-7-4-6-13(10-14)11-18(25)30/h4-10,12H,11H2,1-3H3,(H2,25,30)(H2,26,27,31)
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n/an/a 11n/an/an/an/an/an/a



Deciphera Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of CRAF


Bioorg Med Chem Lett 20: 5793-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.134
BindingDB Entry DOI: 10.7270/Q2XD11WK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50328755
PNG
(2-(3-(3-tert-butyl-5-(3-(2,3-dichlorophenyl)ureido...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2cccc(Cl)c2Cl)n(n1)-c1cccc(CC(N)=O)c1
Show InChI InChI=1S/C22H23Cl2N5O2/c1-22(2,3)17-12-19(27-21(31)26-16-9-5-8-15(23)20(16)24)29(28-17)14-7-4-6-13(10-14)11-18(25)30/h4-10,12H,11H2,1-3H3,(H2,25,30)(H2,26,27,31)
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n/an/a 11n/an/an/an/an/an/a



Deciphera Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Binding affinity to phosphorylated p38alpha by fluoroprobe binding assay


Bioorg Med Chem Lett 20: 5793-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.134
BindingDB Entry DOI: 10.7270/Q2XD11WK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50328773
PNG
(2-(3-(5-(3-(2,3-dichlorophenyl)ureido)-3-(thiophen...)
Show SMILES NC(=O)Cc1cccc(c1)-n1nc(cc1NC(=O)Nc1cccc(Cl)c1Cl)-c1ccsc1
Show InChI InChI=1S/C22H17Cl2N5O2S/c23-16-5-2-6-17(21(16)24)26-22(31)27-20-11-18(14-7-8-32-12-14)28-29(20)15-4-1-3-13(9-15)10-19(25)30/h1-9,11-12H,10H2,(H2,25,30)(H2,26,27,31)
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n/an/a 15n/an/an/an/an/an/a



Deciphera Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Binding affinity to unphosphorylated p38alpha by fluoroprobe binding assay


Bioorg Med Chem Lett 20: 5793-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.134
BindingDB Entry DOI: 10.7270/Q2XD11WK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50328769
PNG
(2-(3-(3-tert-butyl-5-(3-naphthalen-1-ylureido)-1H-...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2cccc3ccccc23)n(n1)-c1cccc(CC(N)=O)c1
Show InChI InChI=1S/C26H27N5O2/c1-26(2,3)22-16-24(31(30-22)19-11-6-8-17(14-19)15-23(27)32)29-25(33)28-21-13-7-10-18-9-4-5-12-20(18)21/h4-14,16H,15H2,1-3H3,(H2,27,32)(H2,28,29,33)
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n/an/a 16n/an/an/an/an/an/a



Deciphera Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Binding affinity to unphosphorylated p38alpha by fluoroprobe binding assay


Bioorg Med Chem Lett 20: 5793-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.134
BindingDB Entry DOI: 10.7270/Q2XD11WK
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM50328755
PNG
(2-(3-(3-tert-butyl-5-(3-(2,3-dichlorophenyl)ureido...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2cccc(Cl)c2Cl)n(n1)-c1cccc(CC(N)=O)c1
Show InChI InChI=1S/C22H23Cl2N5O2/c1-22(2,3)17-12-19(27-21(31)26-16-9-5-8-15(23)20(16)24)29(28-17)14-7-4-6-13(10-14)11-18(25)30/h4-10,12H,11H2,1-3H3,(H2,25,30)(H2,26,27,31)
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n/an/a 17n/an/an/an/an/an/a



Deciphera Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of BRAF


Bioorg Med Chem Lett 20: 5793-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.134
BindingDB Entry DOI: 10.7270/Q2XD11WK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50328769
PNG
(2-(3-(3-tert-butyl-5-(3-naphthalen-1-ylureido)-1H-...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2cccc3ccccc23)n(n1)-c1cccc(CC(N)=O)c1
Show InChI InChI=1S/C26H27N5O2/c1-26(2,3)22-16-24(31(30-22)19-11-6-8-17(14-19)15-23(27)32)29-25(33)28-21-13-7-10-18-9-4-5-12-20(18)21/h4-14,16H,15H2,1-3H3,(H2,27,32)(H2,28,29,33)
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n/an/a 22n/an/an/an/an/an/a



Deciphera Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Binding affinity to phosphorylated p38alpha by fluoroprobe binding assay


Bioorg Med Chem Lett 20: 5793-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.134
BindingDB Entry DOI: 10.7270/Q2XD11WK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50328771
PNG
(2-(3-(5-(3-(2,3-dichlorophenyl)ureido)-3-(2-fluoro...)
Show SMILES NC(=O)Cc1cccc(c1)-n1nc(cc1NC(=O)Nc1cccc(Cl)c1Cl)-c1ccccc1F
Show InChI InChI=1S/C24H18Cl2FN5O2/c25-17-8-4-10-19(23(17)26)29-24(34)30-22-13-20(16-7-1-2-9-18(16)27)31-32(22)15-6-3-5-14(11-15)12-21(28)33/h1-11,13H,12H2,(H2,28,33)(H2,29,30,34)
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n/an/a 25n/an/an/an/an/an/a



Deciphera Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Binding affinity to unphosphorylated p38alpha by fluoroprobe binding assay


Bioorg Med Chem Lett 20: 5793-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.134
BindingDB Entry DOI: 10.7270/Q2XD11WK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50328766
PNG
(1-(3-tert-butyl-1-(4-(hydroxymethyl)phenyl)-1H-pyr...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2cccc3ccccc23)n(n1)-c1ccc(CO)cc1
Show InChI InChI=1S/C25H26N4O2/c1-25(2,3)22-15-23(29(28-22)19-13-11-17(16-30)12-14-19)27-24(31)26-21-10-6-8-18-7-4-5-9-20(18)21/h4-15,30H,16H2,1-3H3,(H2,26,27,31)
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n/an/a 27n/an/an/an/an/an/a



Deciphera Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of p38alpha by fluoroprobe binding assay


Bioorg Med Chem Lett 20: 5793-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.134
BindingDB Entry DOI: 10.7270/Q2XD11WK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50328773
PNG
(2-(3-(5-(3-(2,3-dichlorophenyl)ureido)-3-(thiophen...)
Show SMILES NC(=O)Cc1cccc(c1)-n1nc(cc1NC(=O)Nc1cccc(Cl)c1Cl)-c1ccsc1
Show InChI InChI=1S/C22H17Cl2N5O2S/c23-16-5-2-6-17(21(16)24)26-22(31)27-20-11-18(14-7-8-32-12-14)28-29(20)15-4-1-3-13(9-15)10-19(25)30/h1-9,11-12H,10H2,(H2,25,30)(H2,26,27,31)
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n/an/a 28n/an/an/an/an/an/a



Deciphera Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Binding affinity to phosphorylated p38alpha by fluoroprobe binding assay


Bioorg Med Chem Lett 20: 5793-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.134
BindingDB Entry DOI: 10.7270/Q2XD11WK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50328771
PNG
(2-(3-(5-(3-(2,3-dichlorophenyl)ureido)-3-(2-fluoro...)
Show SMILES NC(=O)Cc1cccc(c1)-n1nc(cc1NC(=O)Nc1cccc(Cl)c1Cl)-c1ccccc1F
Show InChI InChI=1S/C24H18Cl2FN5O2/c25-17-8-4-10-19(23(17)26)29-24(34)30-22-13-20(16-7-1-2-9-18(16)27)31-32(22)15-6-3-5-14(11-15)12-21(28)33/h1-11,13H,12H2,(H2,28,33)(H2,29,30,34)
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n/an/a 40n/an/an/an/an/an/a



Deciphera Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Binding affinity to phosphorylated p38alpha by fluoroprobe binding assay


Bioorg Med Chem Lett 20: 5793-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.134
BindingDB Entry DOI: 10.7270/Q2XD11WK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50328762
PNG
(1-(3-tert-butyl-1-(3-(2-morpholino-2-oxoethyl)phen...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2cccc3ccccc23)n(n1)-c1cccc(CC(=O)N2CCOCC2)c1
Show InChI InChI=1S/C30H33N5O3/c1-30(2,3)26-20-27(32-29(37)31-25-13-7-10-22-9-4-5-12-24(22)25)35(33-26)23-11-6-8-21(18-23)19-28(36)34-14-16-38-17-15-34/h4-13,18,20H,14-17,19H2,1-3H3,(H2,31,32,37)
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n/an/a 48n/an/an/an/an/an/a



Deciphera Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of p38alpha by fluoroprobe binding assay


Bioorg Med Chem Lett 20: 5793-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.134
BindingDB Entry DOI: 10.7270/Q2XD11WK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50328772
PNG
(2-(3-(5-(3-(2,3-dichlorophenyl)ureido)-3-(thiophen...)
Show SMILES NC(=O)Cc1cccc(c1)-n1nc(cc1NC(=O)Nc1cccc(Cl)c1Cl)-c1cccs1
Show InChI InChI=1S/C22H17Cl2N5O2S/c23-15-6-2-7-16(21(15)24)26-22(31)27-20-12-17(18-8-3-9-32-18)28-29(20)14-5-1-4-13(10-14)11-19(25)30/h1-10,12H,11H2,(H2,25,30)(H2,26,27,31)
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n/an/a 48n/an/an/an/an/an/a



Deciphera Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Binding affinity to unphosphorylated p38alpha by fluoroprobe binding assay


Bioorg Med Chem Lett 20: 5793-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.134
BindingDB Entry DOI: 10.7270/Q2XD11WK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50328767
PNG
(3-(4-(3-tert-butyl-5-(3-naphthalen-1-ylureido)-1H-...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2cccc3ccccc23)n(n1)-c1ccc(CCC(O)=O)cc1
Show InChI InChI=1S/C27H28N4O3/c1-27(2,3)23-17-24(31(30-23)20-14-11-18(12-15-20)13-16-25(32)33)29-26(34)28-22-10-6-8-19-7-4-5-9-21(19)22/h4-12,14-15,17H,13,16H2,1-3H3,(H,32,33)(H2,28,29,34)
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n/an/a 50n/an/an/an/an/an/a



Deciphera Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of p38alpha by fluoroprobe binding assay


Bioorg Med Chem Lett 20: 5793-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.134
BindingDB Entry DOI: 10.7270/Q2XD11WK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50327187
PNG
(1-{5-tert-Butyl-2-[3-(1,1,3-trioxo-1lambda*6*-[1,2...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Cl)cc2)n(n1)-c1cccc(CN2C(O)=CNS2(=O)=O)c1
Show InChI InChI=1S/C23H25ClN6O4S/c1-23(2,3)19-12-20(27-22(32)26-17-9-7-16(24)8-10-17)30(28-19)18-6-4-5-15(11-18)14-29-21(31)13-25-35(29,33)34/h4-13,25,31H,14H2,1-3H3,(H2,26,27,32)
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n/an/a 57n/an/an/an/an/an/a



Deciphera Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of p38alpha by fluoroprobe binding assay


Bioorg Med Chem Lett 20: 5793-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.134
BindingDB Entry DOI: 10.7270/Q2XD11WK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50328772
PNG
(2-(3-(5-(3-(2,3-dichlorophenyl)ureido)-3-(thiophen...)
Show SMILES NC(=O)Cc1cccc(c1)-n1nc(cc1NC(=O)Nc1cccc(Cl)c1Cl)-c1cccs1
Show InChI InChI=1S/C22H17Cl2N5O2S/c23-15-6-2-7-16(21(15)24)26-22(31)27-20-12-17(18-8-3-9-32-18)28-29(20)14-5-1-4-13(10-14)11-19(25)30/h1-10,12H,11H2,(H2,25,30)(H2,26,27,31)
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n/an/a 66n/an/an/an/an/an/a



Deciphera Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Binding affinity to phosphorylated p38alpha by fluoroprobe binding assay


Bioorg Med Chem Lett 20: 5793-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.134
BindingDB Entry DOI: 10.7270/Q2XD11WK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50328763
PNG
(2-(3-(3-tert-butyl-5-(3-(4-chlorophenyl)ureido)-1H...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Cl)cc2)n(n1)-c1cccc(CC(N)=O)c1
Show InChI InChI=1S/C22H24ClN5O2/c1-22(2,3)18-13-20(26-21(30)25-16-9-7-15(23)8-10-16)28(27-18)17-6-4-5-14(11-17)12-19(24)29/h4-11,13H,12H2,1-3H3,(H2,24,29)(H2,25,26,30)
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n/an/a 68n/an/an/an/an/an/a



Deciphera Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of p38alpha by fluoroprobe binding assay


Bioorg Med Chem Lett 20: 5793-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.134
BindingDB Entry DOI: 10.7270/Q2XD11WK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50328770
PNG
(2-(3-(5-(3-(2,3-dichlorophenyl)ureido)-3-phenyl-1H...)
Show SMILES NC(=O)Cc1cccc(c1)-n1nc(cc1NC(=O)Nc1cccc(Cl)c1Cl)-c1ccccc1
Show InChI InChI=1S/C24H19Cl2N5O2/c25-18-10-5-11-19(23(18)26)28-24(33)29-22-14-20(16-7-2-1-3-8-16)30-31(22)17-9-4-6-15(12-17)13-21(27)32/h1-12,14H,13H2,(H2,27,32)(H2,28,29,33)
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n/an/a 79n/an/an/an/an/an/a



Deciphera Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Binding affinity to phosphorylated p38alpha by fluoroprobe binding assay


Bioorg Med Chem Lett 20: 5793-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.134
BindingDB Entry DOI: 10.7270/Q2XD11WK
More data for this
Ligand-Target Pair
Ephrin receptor


(Homo sapiens)
BDBM50328755
PNG
(2-(3-(3-tert-butyl-5-(3-(2,3-dichlorophenyl)ureido...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2cccc(Cl)c2Cl)n(n1)-c1cccc(CC(N)=O)c1
Show InChI InChI=1S/C22H23Cl2N5O2/c1-22(2,3)17-12-19(27-21(31)26-16-9-5-8-15(23)20(16)24)29(28-17)14-7-4-6-13(10-14)11-18(25)30/h4-10,12H,11H2,1-3H3,(H2,25,30)(H2,26,27,31)
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n/an/a 82n/an/an/an/an/an/a



Deciphera Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of EPHB2


Bioorg Med Chem Lett 20: 5793-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.134
BindingDB Entry DOI: 10.7270/Q2XD11WK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50328770
PNG
(2-(3-(5-(3-(2,3-dichlorophenyl)ureido)-3-phenyl-1H...)
Show SMILES NC(=O)Cc1cccc(c1)-n1nc(cc1NC(=O)Nc1cccc(Cl)c1Cl)-c1ccccc1
Show InChI InChI=1S/C24H19Cl2N5O2/c25-18-10-5-11-19(23(18)26)28-24(33)29-22-14-20(16-7-2-1-3-8-16)30-31(22)17-9-4-6-15(12-17)13-21(27)32/h1-12,14H,13H2,(H2,27,32)(H2,28,29,33)
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n/an/a 119n/an/an/an/an/an/a



Deciphera Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Binding affinity to unphosphorylated p38alpha by fluoroprobe binding assay


Bioorg Med Chem Lett 20: 5793-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.134
BindingDB Entry DOI: 10.7270/Q2XD11WK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50328756
PNG
(1-(3-tert-butyl-1-(3-((1-methyl-3,5-dioxo-1,2,4-tr...)
Show SMILES Cn1[nH]c(=O)n(Cc2cccc(c2)-n2nc(cc2NC(=O)Nc2cccc3ccccc23)C(C)(C)C)c1=O
Show InChI InChI=1S/C28H29N7O3/c1-28(2,3)23-16-24(30-25(36)29-22-14-8-11-19-10-5-6-13-21(19)22)35(31-23)20-12-7-9-18(15-20)17-34-26(37)32-33(4)27(34)38/h5-16H,17H2,1-4H3,(H,32,37)(H2,29,30,36)
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n/an/a 292n/an/an/an/an/an/a



Deciphera Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of p38alpha by fluoroprobe binding assay


Bioorg Med Chem Lett 20: 5793-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.134
BindingDB Entry DOI: 10.7270/Q2XD11WK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50328757
PNG
(1-(3-tert-butyl-1-(3-((4,4-dimethyl-3,5-dioxopyraz...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2cccc3ccccc23)n(n1)-c1cccc(CN2NC(=O)C(C)(C)C2=O)c1
Show InChI InChI=1S/C30H32N6O3/c1-29(2,3)24-17-25(32-28(39)31-23-15-9-12-20-11-6-7-14-22(20)23)36(33-24)21-13-8-10-19(16-21)18-35-27(38)30(4,5)26(37)34-35/h6-17H,18H2,1-5H3,(H,34,37)(H2,31,32,39)
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n/an/a 384n/an/an/an/an/an/a



Deciphera Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of p38alpha by fluoroprobe binding assay


Bioorg Med Chem Lett 20: 5793-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.134
BindingDB Entry DOI: 10.7270/Q2XD11WK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50328759
PNG
(1-(1-(3-(2-aminoethyl)phenyl)-3-tert-butyl-1H-pyra...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Cl)cc2)n(n1)-c1cccc(CCN)c1
Show InChI InChI=1S/C22H26ClN5O/c1-22(2,3)19-14-20(26-21(29)25-17-9-7-16(23)8-10-17)28(27-19)18-6-4-5-15(13-18)11-12-24/h4-10,13-14H,11-12,24H2,1-3H3,(H2,25,26,29)
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n/an/a 508n/an/an/an/an/an/a



Deciphera Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of p38alpha by fluoroprobe binding assay


Bioorg Med Chem Lett 20: 5793-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.134
BindingDB Entry DOI: 10.7270/Q2XD11WK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50328760
PNG
(3-(3-tert-butyl-5-(3-naphthalen-1-ylureido)-1H-pyr...)
Show SMILES CNC(=O)CNC(=O)CNC(=O)c1cccc(c1)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C
Show InChI InChI=1S/C30H33N7O4/c1-30(2,3)24-16-25(35-29(41)34-23-14-8-10-19-9-5-6-13-22(19)23)37(36-24)21-12-7-11-20(15-21)28(40)33-18-27(39)32-17-26(38)31-4/h5-16H,17-18H2,1-4H3,(H,31,38)(H,32,39)(H,33,40)(H2,34,35,41)
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n/an/a 949n/an/an/an/an/an/a



Deciphera Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of p38alpha by fluoroprobe binding assay


Bioorg Med Chem Lett 20: 5793-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.134
BindingDB Entry DOI: 10.7270/Q2XD11WK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50328758
PNG
(CHEMBL1270557 | N-(N-(3-(3-tert-butyl-5-(3-(4-chlo...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Cl)cc2)n(n1)-c1cccc(CNS(=O)(=O)NC(=O)N2CCCC2)c1
Show InChI InChI=1S/C26H32ClN7O4S/c1-26(2,3)22-16-23(30-24(35)29-20-11-9-19(27)10-12-20)34(31-22)21-8-6-7-18(15-21)17-28-39(37,38)32-25(36)33-13-4-5-14-33/h6-12,15-16,28H,4-5,13-14,17H2,1-3H3,(H,32,36)(H2,29,30,35)
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n/an/a 1.11E+3n/an/an/an/an/an/a



Deciphera Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of p38alpha by fluoroprobe binding assay


Bioorg Med Chem Lett 20: 5793-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.134
BindingDB Entry DOI: 10.7270/Q2XD11WK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50328765
PNG
(1-(1-(4-(aminomethyl)phenyl)-3-tert-butyl-1H-pyraz...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Cl)cc2)n(n1)-c1ccc(CN)cc1
Show InChI InChI=1S/C21H24ClN5O/c1-21(2,3)18-12-19(25-20(28)24-16-8-6-15(22)7-9-16)27(26-18)17-10-4-14(13-23)5-11-17/h4-12H,13,23H2,1-3H3,(H2,24,25,28)
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n/an/a 1.74E+3n/an/an/an/an/an/a



Deciphera Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of p38alpha by fluoroprobe binding assay


Bioorg Med Chem Lett 20: 5793-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.134
BindingDB Entry DOI: 10.7270/Q2XD11WK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50328764
PNG
(1-{5-tert-Butyl-2-[4-(1,1-dioxo-1lambda*6*-thiomor...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2cccc3ccccc23)n(n1)-c1ccc(CN2CCS(=O)(=O)CC2)cc1
Show InChI InChI=1S/C29H33N5O3S/c1-29(2,3)26-19-27(31-28(35)30-25-10-6-8-22-7-4-5-9-24(22)25)34(32-26)23-13-11-21(12-14-23)20-33-15-17-38(36,37)18-16-33/h4-14,19H,15-18,20H2,1-3H3,(H2,30,31,35)
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n/an/a 2.45E+3n/an/an/an/an/an/a



Deciphera Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of p38alpha by fluoroprobe binding assay


Bioorg Med Chem Lett 20: 5793-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.134
BindingDB Entry DOI: 10.7270/Q2XD11WK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50328772
PNG
(2-(3-(5-(3-(2,3-dichlorophenyl)ureido)-3-(thiophen...)
Show SMILES NC(=O)Cc1cccc(c1)-n1nc(cc1NC(=O)Nc1cccc(Cl)c1Cl)-c1cccs1
Show InChI InChI=1S/C22H17Cl2N5O2S/c23-15-6-2-7-16(21(15)24)26-22(31)27-20-12-17(18-8-3-9-32-18)28-29(20)14-5-1-4-13(10-14)11-19(25)30/h1-10,12H,11H2,(H2,25,30)(H2,26,27,31)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Deciphera Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of p38alpha autophosphorylation


Bioorg Med Chem Lett 20: 5793-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.134
BindingDB Entry DOI: 10.7270/Q2XD11WK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50328761
PNG
((S)-1-(3-tert-butyl-1-(3-(2-oxo-4-phenyloxazolidin...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2cccc3ccccc23)n(n1)-c1cccc(c1)C(=O)N1[C@H](COC1=O)c1ccccc1
Show InChI InChI=1S/C34H31N5O4/c1-34(2,3)29-20-30(36-32(41)35-27-18-10-14-22-11-7-8-17-26(22)27)39(37-29)25-16-9-15-24(19-25)31(40)38-28(21-43-33(38)42)23-12-5-4-6-13-23/h4-20,28H,21H2,1-3H3,(H2,35,36,41)/t28-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Deciphera Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of p38alpha by fluoroprobe binding assay


Bioorg Med Chem Lett 20: 5793-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.134
BindingDB Entry DOI: 10.7270/Q2XD11WK
More data for this
Ligand-Target Pair
Ephrin receptor


(Homo sapiens)
BDBM50328772
PNG
(2-(3-(5-(3-(2,3-dichlorophenyl)ureido)-3-(thiophen...)
Show SMILES NC(=O)Cc1cccc(c1)-n1nc(cc1NC(=O)Nc1cccc(Cl)c1Cl)-c1cccs1
Show InChI InChI=1S/C22H17Cl2N5O2S/c23-15-6-2-7-16(21(15)24)26-22(31)27-20-12-17(18-8-3-9-32-18)28-29(20)14-5-1-4-13(10-14)11-19(25)30/h1-10,12H,11H2,(H2,25,30)(H2,26,27,31)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Deciphera Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of EPHB2


Bioorg Med Chem Lett 20: 5793-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.134
BindingDB Entry DOI: 10.7270/Q2XD11WK
More data for this
Ligand-Target Pair