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Compile Data Set for Download or QSAR

Found 198 hits with Last Name = 'littlewood-evans' and Initial = 'a'   
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
Cathepsin K


(Homo sapiens (Human))
BDBM50260351
PNG
(CHEMBL4086667)
PDB
MMDB

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n/an/a 1n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL




Bioorg Med Chem 25: 4512-4525 (2017)


Article DOI: 10.1016/j.bmc.2017.06.050
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50076190
PNG
(CHEMBL3416023)
Show SMILES N[C@H]1CCCC[C@H]1Nc1cnc(C(N)=O)c(Nc2cccc(c2)-n2nccn2)n1 |r|
Show InChI InChI=1/C19H23N9O/c20-14-6-1-2-7-15(14)26-16-11-22-17(18(21)29)19(27-16)25-12-4-3-5-13(10-12)28-23-8-9-24-28/h3-5,8-11,14-15H,1-2,6-7,20H2,(H2,21,29)(H2,25,26,27)/t14-,15+/s2
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n/an/a 1n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of Syk (unknown origin) using 5-Fluo-Ahx-GAPDYENLQELNKK-Amide as substrate after 60 mins by microfluidic mobility shift assay


J Med Chem 58: 1950-63 (2015)


Article DOI: 10.1021/jm5018863
BindingDB Entry DOI: 10.7270/Q2G44S0C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50076187
PNG
(CHEMBL3416027 | US9290481, 1.4)
Show SMILES N[C@H]1CCCC[C@H]1Nc1nnc(C(N)=O)c(Nc2cccc3[nH]ccc23)n1 |r|
Show InChI InChI=1/C18H22N8O/c19-11-4-1-2-5-14(11)23-18-24-17(15(16(20)27)25-26-18)22-13-7-3-6-12-10(13)8-9-21-12/h3,6-9,11,14,21H,1-2,4-5,19H2,(H2,20,27)(H2,22,23,24,26)/t11-,14+/s2
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n/an/a 1n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of Syk (unknown origin) using 5-Fluo-Ahx-GAPDYENLQELNKK-Amide as substrate after 60 mins by microfluidic mobility shift assay


J Med Chem 58: 1950-63 (2015)


Article DOI: 10.1021/jm5018863
BindingDB Entry DOI: 10.7270/Q2G44S0C
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50348515
PNG
(CHEMBL1233942)
Show SMILES CN1CC2(C1)CNC(=O)c1c3CCc4cnc(cc4-c3[nH]c21)-c1ccccc1F
Show InChI InChI=1S/C23H21FN4O/c1-28-11-23(12-28)10-26-22(29)19-15-7-6-13-9-25-18(14-4-2-3-5-17(14)24)8-16(13)20(15)27-21(19)23/h2-5,8-9,27H,6-7,10-12H2,1H3,(H,26,29)
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n/an/a<3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of MK2 mediated anisomycin-stimulated hsp27 phosphorylation in human THP-1 cells by fluorometric analysis


Bioorg Med Chem Lett 20: 4719-23 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.04.023
BindingDB Entry DOI: 10.7270/Q2BZ66C2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cathepsin K


(Homo sapiens (Human))
BDBM50260350
PNG
(CHEMBL4078089)
PDB
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n/an/a 3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL




Bioorg Med Chem 25: 4512-4525 (2017)


Article DOI: 10.1016/j.bmc.2017.06.050
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50348492
PNG
(CHEMBL1801296)
Show SMILES CN1CCC2(CC1)CNC(=O)c1c3CCc4cnc(cc4-c3[nH]c21)-c1ccccc1F
Show InChI InChI=1S/C25H25FN4O/c1-30-10-8-25(9-11-30)14-28-24(31)21-17-7-6-15-13-27-20(16-4-2-3-5-19(16)26)12-18(15)22(17)29-23(21)25/h2-5,12-13,29H,6-11,14H2,1H3,(H,28,31)
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n/an/a 4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human MK2 using biotinyl-AYSRALSRQLSSGVSEIRCOOH as substrate after 45 mins by FRET analysis


Bioorg Med Chem Lett 20: 4719-23 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.04.023
BindingDB Entry DOI: 10.7270/Q2BZ66C2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50013161
PNG
(CHEMBL3262356)
Show SMILES N[C@H]1CCCC[C@H]1Nc1cc2nc[nH]c(=O)c2c(Nc2cccc3cc[nH]c23)n1 |r|
Show InChI InChI=1S/C21H23N7O/c22-13-5-1-2-6-14(13)26-17-10-16-18(21(29)25-11-24-16)20(28-17)27-15-7-3-4-12-8-9-23-19(12)15/h3-4,7-11,13-14,23H,1-2,5-6,22H2,(H,24,25,29)(H2,26,27,28)/t13-,14+/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of Syk (unknown origin) using 5-Fluo-Ahx-GAPDYENLQELNKK-Amide as substrate after 60 mins by microfluidic mobility shift assay


J Med Chem 58: 1950-63 (2015)


Article DOI: 10.1021/jm5018863
BindingDB Entry DOI: 10.7270/Q2G44S0C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50076189
PNG
(CHEMBL3416024 | US9290481, 4.1)
Show SMILES N[C@H]1CCCC[C@H]1Nc1cnc(C(N)=O)c(Nc2cccc3cc[nH]c23)n1 |r|
Show InChI InChI=1/C19H23N7O/c20-12-5-1-2-6-13(12)24-15-10-23-17(18(21)27)19(26-15)25-14-7-3-4-11-8-9-22-16(11)14/h3-4,7-10,12-13,22H,1-2,5-6,20H2,(H2,21,27)(H2,24,25,26)/t12-,13+/s2
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n/an/a 5n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of Syk (unknown origin) using 5-Fluo-Ahx-GAPDYENLQELNKK-Amide as substrate after 60 mins by microfluidic mobility shift assay


J Med Chem 58: 1950-63 (2015)


Article DOI: 10.1021/jm5018863
BindingDB Entry DOI: 10.7270/Q2G44S0C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50013160
PNG
(CHEMBL3262355)
Show SMILES N[C@H]1CCCC[C@H]1Nc1cc2nc[nH]c(=O)c2c(Nc2cccc(c2)-n2nccn2)n1 |r|
Show InChI InChI=1S/C21H23N9O/c22-15-6-1-2-7-16(15)28-18-11-17-19(21(31)24-12-23-17)20(29-18)27-13-4-3-5-14(10-13)30-25-8-9-26-30/h3-5,8-12,15-16H,1-2,6-7,22H2,(H,23,24,31)(H2,27,28,29)/t15-,16+/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of Syk (unknown origin) using 5-Fluo-Ahx-GAPDYENLQELNKK-Amide as substrate after 60 mins by microfluidic mobility shift assay


J Med Chem 58: 1950-63 (2015)


Article DOI: 10.1021/jm5018863
BindingDB Entry DOI: 10.7270/Q2G44S0C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50076188
PNG
(CHEMBL3416025)
Show SMILES N[C@H]1CCCC[C@H]1Nc1nnc(C(N)=O)c(Nc2cccc(c2)-n2nccn2)n1 |r|
Show InChI InChI=1/C18H22N10O/c19-13-6-1-2-7-14(13)24-18-25-17(15(16(20)29)26-27-18)23-11-4-3-5-12(10-11)28-21-8-9-22-28/h3-5,8-10,13-14H,1-2,6-7,19H2,(H2,20,29)(H2,23,24,25,27)/t13-,14+/s2
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n/an/a 5n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of Syk (unknown origin) using 5-Fluo-Ahx-GAPDYENLQELNKK-Amide as substrate after 60 mins by microfluidic mobility shift assay


J Med Chem 58: 1950-63 (2015)


Article DOI: 10.1021/jm5018863
BindingDB Entry DOI: 10.7270/Q2G44S0C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50348493
PNG
(CHEMBL1801304)
Show SMILES COCCOc1cncc(c1)-c1ncc2CCc3c([nH]c4c3C(=O)NCC43CN(C)C3)-c2n1
Show InChI InChI=1S/C24H26N6O3/c1-30-12-24(13-30)11-27-23(31)18-17-4-3-14-9-26-22(29-19(14)20(17)28-21(18)24)15-7-16(10-25-8-15)33-6-5-32-2/h7-10,28H,3-6,11-13H2,1-2H3,(H,27,31)
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n/an/a 6n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human MK2 using biotinyl-AYSRALSRQLSSGVSEIRCOOH as substrate after 45 mins by FRET analysis


Bioorg Med Chem Lett 20: 4719-23 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.04.023
BindingDB Entry DOI: 10.7270/Q2BZ66C2
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50348491
PNG
(CHEMBL1801305)
Show SMILES CN1CC2(C1)CNC(=O)c1c3CCc4cnc(nc4-c3[nH]c21)-c1cccc(F)c1
Show InChI InChI=1S/C22H20FN5O/c1-28-10-22(11-28)9-25-21(29)16-15-6-5-13-8-24-20(12-3-2-4-14(23)7-12)27-17(13)18(15)26-19(16)22/h2-4,7-8,26H,5-6,9-11H2,1H3,(H,25,29)
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n/an/a 6n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human MK2 using biotinyl-AYSRALSRQLSSGVSEIRCOOH as substrate after 45 mins by FRET analysis


Bioorg Med Chem Lett 20: 4719-23 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.04.023
BindingDB Entry DOI: 10.7270/Q2BZ66C2
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50348481
PNG
(CHEMBL1801307)
Show SMILES CN1CC2(C1)CNC(=O)c1c3CCc4cnc(nc4-c3[nH]c21)-c1ccc(F)nc1
Show InChI InChI=1S/C21H19FN6O/c1-28-9-21(10-28)8-25-20(29)15-13-4-2-11-6-24-19(12-3-5-14(22)23-7-12)27-16(11)17(13)26-18(15)21/h3,5-7,26H,2,4,8-10H2,1H3,(H,25,29)
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n/an/a 7n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human MK2 using biotinyl-AYSRALSRQLSSGVSEIRCOOH as substrate after 45 mins by FRET analysis


Bioorg Med Chem Lett 20: 4719-23 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.04.023
BindingDB Entry DOI: 10.7270/Q2BZ66C2
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50348494
PNG
(CHEMBL1801274)
Show SMILES Fc1cccc(c1)-c1cc2-c3[nH]c4CCNC(=O)c4c3CCc2cn1
Show InChI InChI=1S/C20H16FN3O/c21-13-3-1-2-11(8-13)17-9-15-12(10-23-17)4-5-14-18-16(24-19(14)15)6-7-22-20(18)25/h1-3,8-10,24H,4-7H2,(H,22,25)
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n/an/a 8n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human MK2 using biotinyl-AYSRALSRQLSSGVSEIRCOOH as substrate after 45 mins by FRET analysis


Bioorg Med Chem Lett 20: 4719-23 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.04.023
BindingDB Entry DOI: 10.7270/Q2BZ66C2
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50348495
PNG
(CHEMBL1614995)
Show SMILES COCCOc1cncc(c1)-c1cc2c3[nH]c4CCNC(=O)c4c3ccc2cn1
Show InChI InChI=1S/C22H20N4O3/c1-28-6-7-29-15-8-14(10-23-12-15)19-9-17-13(11-25-19)2-3-16-20-18(26-21(16)17)4-5-24-22(20)27/h2-3,8-12,26H,4-7H2,1H3,(H,24,27)
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n/an/a 10n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human MK2 using biotinyl-AYSRALSRQLSSGVSEIRCOOH as substrate after 45 mins by FRET analysis


Bioorg Med Chem Lett 20: 4719-23 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.04.023
BindingDB Entry DOI: 10.7270/Q2BZ66C2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50348486
PNG
(CHEMBL1801294)
Show SMILES COc1ccc(cc1)-c1cc2-c3[nH]c4CC5(CNC5)NC(=O)c4c3CCc2cn1
Show InChI InChI=1S/C23H22N4O2/c1-29-15-5-2-13(3-6-15)18-8-17-14(10-25-18)4-7-16-20-19(26-21(16)17)9-23(11-24-12-23)27-22(20)28/h2-3,5-6,8,10,24,26H,4,7,9,11-12H2,1H3,(H,27,28)
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n/an/a 12n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human MK2 using biotinyl-AYSRALSRQLSSGVSEIRCOOH as substrate after 45 mins by FRET analysis


Bioorg Med Chem Lett 20: 4719-23 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.04.023
BindingDB Entry DOI: 10.7270/Q2BZ66C2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50400047
PNG
(BIIB-057 | CHEMBL2177736 | US9579320, Example 87)
Show SMILES N[C@H]1CCCC[C@H]1Nc1ncc(C(N)=O)c(Nc2cccc(c2)-n2nccn2)n1 |r|
Show InChI InChI=1S/C19H23N9O/c20-15-6-1-2-7-16(15)26-19-22-11-14(17(21)29)18(27-19)25-12-4-3-5-13(10-12)28-23-8-9-24-28/h3-5,8-11,15-16H,1-2,6-7,20H2,(H2,21,29)(H2,22,25,26,27)/t15-,16+/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of Syk (unknown origin) using 5-Fluo-Ahx-GAPDYENLQELNKK-Amide as substrate after 60 mins by microfluidic mobility shift assay


J Med Chem 58: 1950-63 (2015)


Article DOI: 10.1021/jm5018863
BindingDB Entry DOI: 10.7270/Q2G44S0C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50348480
PNG
(CHEMBL1801312)
Show SMILES CN1CC2(C1)CNC(=O)c1c3CCc4cnc(cc4-c3n(C)c21)-c1ccccc1F
Show InChI InChI=1S/C24H23FN4O/c1-28-12-24(13-28)11-27-23(30)20-16-8-7-14-10-26-19(15-5-3-4-6-18(15)25)9-17(14)21(16)29(2)22(20)24/h3-6,9-10H,7-8,11-13H2,1-2H3,(H,27,30)
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n/an/a 13n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human MK2 using biotinyl-AYSRALSRQLSSGVSEIRCOOH as substrate after 45 mins by FRET analysis


Bioorg Med Chem Lett 20: 4719-23 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.04.023
BindingDB Entry DOI: 10.7270/Q2BZ66C2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50076187
PNG
(CHEMBL3416027 | US9290481, 1.4)
Show SMILES N[C@H]1CCCC[C@H]1Nc1nnc(C(N)=O)c(Nc2cccc3[nH]ccc23)n1 |r|
Show InChI InChI=1/C18H22N8O/c19-11-4-1-2-5-14(11)23-18-24-17(15(16(20)27)25-26-18)22-13-7-3-6-12-10(13)8-9-21-12/h3,6-9,11,14,21H,1-2,4-5,19H2,(H2,20,27)(H2,22,23,24,26)/t11-,14+/s2
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n/an/a 14n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of Syk in anti-igM stimulated human Ramos B cells assessed as phospho-BLNK level preincubated for 30 mins followed by anti-IgM stimulation...


J Med Chem 58: 1950-63 (2015)


Article DOI: 10.1021/jm5018863
BindingDB Entry DOI: 10.7270/Q2G44S0C
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50348496
PNG
(CHEMBL1801284)
Show SMILES Fc1ccccc1-c1cc2-c3[nH]c4c(c3CCc2cn1)C(=O)NCC41CNC1
Show InChI InChI=1S/C22H19FN4O/c23-16-4-2-1-3-13(16)17-7-15-12(8-25-17)5-6-14-18-20(27-19(14)15)22(9-24-10-22)11-26-21(18)28/h1-4,7-8,24,27H,5-6,9-11H2,(H,26,28)
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n/an/a 17n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human MK2 using biotinyl-AYSRALSRQLSSGVSEIRCOOH as substrate after 45 mins by FRET analysis


Bioorg Med Chem Lett 20: 4719-23 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.04.023
BindingDB Entry DOI: 10.7270/Q2BZ66C2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50076192
PNG
(CHEMBL3416021)
Show SMILES N[C@H]1CCCC[C@H]1Nc1ccc(C(N)=O)c(Nc2cccc(c2)-n2nccn2)n1 |r|
Show InChI InChI=1/C20H24N8O/c21-16-6-1-2-7-17(16)26-18-9-8-15(19(22)29)20(27-18)25-13-4-3-5-14(12-13)28-23-10-11-24-28/h3-5,8-12,16-17H,1-2,6-7,21H2,(H2,22,29)(H2,25,26,27)/t16-,17+/s2
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n/an/a 19n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of Syk (unknown origin) using 5-Fluo-Ahx-GAPDYENLQELNKK-Amide as substrate after 60 mins by microfluidic mobility shift assay


J Med Chem 58: 1950-63 (2015)


Article DOI: 10.1021/jm5018863
BindingDB Entry DOI: 10.7270/Q2G44S0C
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50348497
PNG
(CHEMBL1801311)
Show SMILES Cn1c-2c(CCc3cnc(cc-23)-c2ccccc2F)c2c1C1(CNC1)CNC2=O
Show InChI InChI=1S/C23H21FN4O/c1-28-20-15(19-21(28)23(10-25-11-23)12-27-22(19)29)7-6-13-9-26-18(8-16(13)20)14-4-2-3-5-17(14)24/h2-5,8-9,25H,6-7,10-12H2,1H3,(H,27,29)
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n/an/a 20n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human MK2 using biotinyl-AYSRALSRQLSSGVSEIRCOOH as substrate after 45 mins by FRET analysis


Bioorg Med Chem Lett 20: 4719-23 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.04.023
BindingDB Entry DOI: 10.7270/Q2BZ66C2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50013172
PNG
(CHEMBL3262624)
Show SMILES N[C@H]1COCC[C@H]1Nc1cc2cc[nH]c(=O)c2c(Nc2cccc3cc[nH]c23)n1 |r|
Show InChI InChI=1S/C21H22N6O2/c22-14-11-29-9-6-15(14)25-17-10-13-5-8-24-21(28)18(13)20(27-17)26-16-3-1-2-12-4-7-23-19(12)16/h1-5,7-8,10,14-15,23H,6,9,11,22H2,(H,24,28)(H2,25,26,27)/t14-,15+/m0/s1
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n/an/a 22n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of Syk (unknown origin) using 5-Fluo-Ahx-GAPDYENLQELNKK-Amide as substrate after 60 mins by microfluidic mobility shift assay


J Med Chem 58: 1950-63 (2015)


Article DOI: 10.1021/jm5018863
BindingDB Entry DOI: 10.7270/Q2G44S0C
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50348498
PNG
(CHEMBL1801283)
Show SMILES Fc1ccc(cn1)-c1cc2-c3[nH]c4c(c3CCc2cn1)C(=O)NCC41CC1
Show InChI InChI=1S/C21H17FN4O/c22-16-4-2-12(9-24-16)15-7-14-11(8-23-15)1-3-13-17-19(26-18(13)14)21(5-6-21)10-25-20(17)27/h2,4,7-9,26H,1,3,5-6,10H2,(H,25,27)
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n/an/a 27n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human MK2 using biotinyl-AYSRALSRQLSSGVSEIRCOOH as substrate after 45 mins by FRET analysis


Bioorg Med Chem Lett 20: 4719-23 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.04.023
BindingDB Entry DOI: 10.7270/Q2BZ66C2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50076189
PNG
(CHEMBL3416024 | US9290481, 4.1)
Show SMILES N[C@H]1CCCC[C@H]1Nc1cnc(C(N)=O)c(Nc2cccc3cc[nH]c23)n1 |r|
Show InChI InChI=1/C19H23N7O/c20-12-5-1-2-6-13(12)24-15-10-23-17(18(21)27)19(26-15)25-14-7-3-4-11-8-9-22-16(11)14/h3-4,7-10,12-13,22H,1-2,5-6,20H2,(H2,21,27)(H2,24,25,26)/t12-,13+/s2
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n/an/a 30n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of Syk in anti-igM stimulated human Ramos B cells assessed as phospho-BLNK level preincubated for 30 mins followed by anti-IgM stimulation...


J Med Chem 58: 1950-63 (2015)


Article DOI: 10.1021/jm5018863
BindingDB Entry DOI: 10.7270/Q2G44S0C
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50348499
PNG
(CHEMBL1801303)
Show SMILES CN1CC2(C1)CNC(=O)c1c3CCc4cnc(nc4-c3[nH]c21)-c1ccccc1F
Show InChI InChI=1S/C22H20FN5O/c1-28-10-22(11-28)9-25-21(29)16-14-7-6-12-8-24-20(13-4-2-3-5-15(13)23)27-17(12)18(14)26-19(16)22/h2-5,8,26H,6-7,9-11H2,1H3,(H,25,29)
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n/an/a 34n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human MK2 using biotinyl-AYSRALSRQLSSGVSEIRCOOH as substrate after 45 mins by FRET analysis


Bioorg Med Chem Lett 20: 4719-23 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.04.023
BindingDB Entry DOI: 10.7270/Q2BZ66C2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50076185
PNG
(CHEMBL3416026 | US9290481, 1.1)
Show SMILES N[C@H]1CCCC[C@H]1Nc1nnc(C(N)=O)c(Nc2cccc3cc[nH]c23)n1 |r|
Show InChI InChI=1/C18H22N8O/c19-11-5-1-2-6-12(11)23-18-24-17(15(16(20)27)25-26-18)22-13-7-3-4-10-8-9-21-14(10)13/h3-4,7-9,11-12,21H,1-2,5-6,19H2,(H2,20,27)(H2,22,23,24,26)/t11-,12+/s2
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n/an/a 35n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of Syk (unknown origin) using 5-Fluo-Ahx-GAPDYENLQELNKK-Amide as substrate after 60 mins by microfluidic mobility shift assay


J Med Chem 58: 1950-63 (2015)


Article DOI: 10.1021/jm5018863
BindingDB Entry DOI: 10.7270/Q2G44S0C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50348483
PNG
(CHEMBL1801194)
Show SMILES Fc1ccccc1-c1cc2-c3[nH]c4CCNC(=O)c4c3CCc2cn1
Show InChI InChI=1S/C20H16FN3O/c21-15-4-2-1-3-12(15)17-9-14-11(10-23-17)5-6-13-18-16(24-19(13)14)7-8-22-20(18)25/h1-4,9-10,24H,5-8H2,(H,22,25)
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n/an/a 37n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human MK2 using biotinyl-AYSRALSRQLSSGVSEIRCOOH as substrate after 45 mins by FRET analysis


Bioorg Med Chem Lett 20: 4719-23 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.04.023
BindingDB Entry DOI: 10.7270/Q2BZ66C2
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50348479
PNG
(CHEMBL1801195)
Show SMILES COCCOc1cncc(c1)-c1cc2-c3[nH]c4CCNC(=O)c4c3CCc2cn1
Show InChI InChI=1S/C22H22N4O3/c1-28-6-7-29-15-8-14(10-23-12-15)19-9-17-13(11-25-19)2-3-16-20-18(26-21(16)17)4-5-24-22(20)27/h8-12,26H,2-7H2,1H3,(H,24,27)
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n/an/a 40n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human MK2 using biotinyl-AYSRALSRQLSSGVSEIRCOOH as substrate after 45 mins by FRET analysis


Bioorg Med Chem Lett 20: 4719-23 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.04.023
BindingDB Entry DOI: 10.7270/Q2BZ66C2
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50348500
PNG
(CHEMBL1801295)
Show SMILES COc1ccc(cc1)-c1cc2-c3[nH]c4CC5(CN(C)C5)NC(=O)c4c3CCc2cn1
Show InChI InChI=1S/C24H24N4O2/c1-28-12-24(13-28)10-20-21(23(29)27-24)17-8-5-15-11-25-19(9-18(15)22(17)26-20)14-3-6-16(30-2)7-4-14/h3-4,6-7,9,11,26H,5,8,10,12-13H2,1-2H3,(H,27,29)
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n/an/a 45n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human MK2 using biotinyl-AYSRALSRQLSSGVSEIRCOOH as substrate after 45 mins by FRET analysis


Bioorg Med Chem Lett 20: 4719-23 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.04.023
BindingDB Entry DOI: 10.7270/Q2BZ66C2
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50348501
PNG
(CHEMBL1801279)
Show SMILES Fc1ccc(cn1)-c1cc2-c3[nH]c4CC5(CC5)NC(=O)c4c3CCc2cn1
Show InChI InChI=1S/C21H17FN4O/c22-17-4-2-12(10-24-17)15-7-14-11(9-23-15)1-3-13-18-16(25-19(13)14)8-21(5-6-21)26-20(18)27/h2,4,7,9-10,25H,1,3,5-6,8H2,(H,26,27)
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n/an/a 50n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human MK2 using biotinyl-AYSRALSRQLSSGVSEIRCOOH as substrate after 45 mins by FRET analysis


Bioorg Med Chem Lett 20: 4719-23 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.04.023
BindingDB Entry DOI: 10.7270/Q2BZ66C2
More data for this
Ligand-Target Pair
G-protein coupled receptor 4 (GPR4)


(Homo sapiens (Human))
BDBM50260329
PNG
(CHEMBL4098400)
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n/an/a 50n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL




Bioorg Med Chem 25: 4512-4525 (2017)


Article DOI: 10.1016/j.bmc.2017.06.050
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50013172
PNG
(CHEMBL3262624)
Show SMILES N[C@H]1COCC[C@H]1Nc1cc2cc[nH]c(=O)c2c(Nc2cccc3cc[nH]c23)n1 |r|
Show InChI InChI=1S/C21H22N6O2/c22-14-11-29-9-6-15(14)25-17-10-13-5-8-24-21(28)18(13)20(27-17)26-16-3-1-2-12-4-7-23-19(12)16/h1-5,7-8,10,14-15,23H,6,9,11,22H2,(H,24,28)(H2,25,26,27)/t14-,15+/m0/s1
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n/an/a 55n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of Syk in anti-igM stimulated human Ramos B cells assessed as phospho-BLNK level preincubated for 30 mins followed by anti-IgM stimulation...


J Med Chem 58: 1950-63 (2015)


Article DOI: 10.1021/jm5018863
BindingDB Entry DOI: 10.7270/Q2G44S0C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM50400047
PNG
(BIIB-057 | CHEMBL2177736 | US9579320, Example 87)
Show SMILES N[C@H]1CCCC[C@H]1Nc1ncc(C(N)=O)c(Nc2cccc(c2)-n2nccn2)n1 |r|
Show InChI InChI=1S/C19H23N9O/c20-15-6-1-2-7-16(15)26-19-22-11-14(17(21)29)18(27-19)25-12-4-3-5-13(10-12)28-23-8-9-24-28/h3-5,8-11,15-16H,1-2,6-7,20H2,(H2,21,29)(H2,22,25,26,27)/t15-,16+/m0/s1
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n/an/a 68n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human ZAP70


J Med Chem 58: 1950-63 (2015)


Article DOI: 10.1021/jm5018863
BindingDB Entry DOI: 10.7270/Q2G44S0C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50076190
PNG
(CHEMBL3416023)
Show SMILES N[C@H]1CCCC[C@H]1Nc1cnc(C(N)=O)c(Nc2cccc(c2)-n2nccn2)n1 |r|
Show InChI InChI=1/C19H23N9O/c20-14-6-1-2-7-15(14)26-16-11-22-17(18(21)29)19(27-16)25-12-4-3-5-13(10-12)28-23-8-9-24-28/h3-5,8-11,14-15H,1-2,6-7,20H2,(H2,21,29)(H2,25,26,27)/t14-,15+/s2
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n/an/a 69n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of Syk in anti-igM stimulated human Ramos B cells assessed as phospho-BLNK level preincubated for 30 mins followed by anti-IgM stimulation...


J Med Chem 58: 1950-63 (2015)


Article DOI: 10.1021/jm5018863
BindingDB Entry DOI: 10.7270/Q2G44S0C
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50348502
PNG
(CHEMBL1801275)
Show SMILES COc1ccc(cc1)-c1cc2-c3[nH]c4CCNC(=O)c4c3CCc2cn1
Show InChI InChI=1S/C21H19N3O2/c1-26-14-5-2-12(3-6-14)18-10-16-13(11-23-18)4-7-15-19-17(24-20(15)16)8-9-22-21(19)25/h2-3,5-6,10-11,24H,4,7-9H2,1H3,(H,22,25)
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n/an/a 80n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human MK2 using biotinyl-AYSRALSRQLSSGVSEIRCOOH as substrate after 45 mins by FRET analysis


Bioorg Med Chem Lett 20: 4719-23 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.04.023
BindingDB Entry DOI: 10.7270/Q2BZ66C2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50013161
PNG
(CHEMBL3262356)
Show SMILES N[C@H]1CCCC[C@H]1Nc1cc2nc[nH]c(=O)c2c(Nc2cccc3cc[nH]c23)n1 |r|
Show InChI InChI=1S/C21H23N7O/c22-13-5-1-2-6-14(13)26-17-10-16-18(21(29)25-11-24-16)20(28-17)27-15-7-3-4-12-8-9-23-19(12)15/h3-4,7-11,13-14,23H,1-2,5-6,22H2,(H,24,25,29)(H2,26,27,28)/t13-,14+/m0/s1
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n/an/a 90n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of Syk in anti-igM stimulated human Ramos B cells assessed as phospho-BLNK level preincubated for 30 mins followed by anti-IgM stimulation...


J Med Chem 58: 1950-63 (2015)


Article DOI: 10.1021/jm5018863
BindingDB Entry DOI: 10.7270/Q2G44S0C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50400047
PNG
(BIIB-057 | CHEMBL2177736 | US9579320, Example 87)
Show SMILES N[C@H]1CCCC[C@H]1Nc1ncc(C(N)=O)c(Nc2cccc(c2)-n2nccn2)n1 |r|
Show InChI InChI=1S/C19H23N9O/c20-15-6-1-2-7-16(15)26-19-22-11-14(17(21)29)18(27-19)25-12-4-3-5-13(10-12)28-23-8-9-24-28/h3-5,8-11,15-16H,1-2,6-7,20H2,(H2,21,29)(H2,22,25,26,27)/t15-,16+/m0/s1
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n/an/a 90n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human PKCalpha


J Med Chem 58: 1950-63 (2015)


Article DOI: 10.1021/jm5018863
BindingDB Entry DOI: 10.7270/Q2G44S0C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50076186
PNG
(CHEMBL3416028)
Show SMILES N[C@H]1CCCC[C@H]1Nc1ncc(C(N)=O)c(Nc2cccc3cc[nH]c23)n1 |r|
Show InChI InChI=1/C19H23N7O/c20-13-5-1-2-6-14(13)25-19-23-10-12(17(21)27)18(26-19)24-15-7-3-4-11-8-9-22-16(11)15/h3-4,7-10,13-14,22H,1-2,5-6,20H2,(H2,21,27)(H2,23,24,25,26)/t13-,14+/s2
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n/an/a 94n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of Syk (unknown origin) using 5-Fluo-Ahx-GAPDYENLQELNKK-Amide as substrate after 60 mins by microfluidic mobility shift assay


J Med Chem 58: 1950-63 (2015)


Article DOI: 10.1021/jm5018863
BindingDB Entry DOI: 10.7270/Q2G44S0C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50076185
PNG
(CHEMBL3416026 | US9290481, 1.1)
Show SMILES N[C@H]1CCCC[C@H]1Nc1nnc(C(N)=O)c(Nc2cccc3cc[nH]c23)n1 |r|
Show InChI InChI=1/C18H22N8O/c19-11-5-1-2-6-12(11)23-18-24-17(15(16(20)27)25-26-18)22-13-7-3-4-10-8-9-21-14(10)13/h3-4,7-9,11-12,21H,1-2,5-6,19H2,(H2,20,27)(H2,22,23,24,26)/t11-,12+/s2
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n/an/a 99n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of Syk in anti-igM stimulated human Ramos B cells assessed as phospho-BLNK level preincubated for 30 mins followed by anti-IgM stimulation...


J Med Chem 58: 1950-63 (2015)


Article DOI: 10.1021/jm5018863
BindingDB Entry DOI: 10.7270/Q2G44S0C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50348503
PNG
(CHEMBL1801280)
Show SMILES O=C1NC2(CC2)Cc2[nH]c-3c(CCc4cnc(cc-34)-c3ccc(OCCN4CCOCC4)cc3)c12
Show InChI InChI=1S/C28H30N4O3/c33-27-25-21-6-3-19-17-29-23(15-22(19)26(21)30-24(25)16-28(31-27)7-8-28)18-1-4-20(5-2-18)35-14-11-32-9-12-34-13-10-32/h1-2,4-5,15,17,30H,3,6-14,16H2,(H,31,33)
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n/an/a 100n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human MK2 using biotinyl-AYSRALSRQLSSGVSEIRCOOH as substrate after 45 mins by FRET analysis


Bioorg Med Chem Lett 20: 4719-23 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.04.023
BindingDB Entry DOI: 10.7270/Q2BZ66C2
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50348504
PNG
(CHEMBL1801281)
Show SMILES Fc1cccc(c1)-c1cc2-c3[nH]c4c(c3CCc2cn1)C(=O)NCC41CC1
Show InChI InChI=1S/C22H18FN3O/c23-14-3-1-2-12(8-14)17-9-16-13(10-24-17)4-5-15-18-20(26-19(15)16)22(6-7-22)11-25-21(18)27/h1-3,8-10,26H,4-7,11H2,(H,25,27)
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n/an/a 100n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human MK2 using biotinyl-AYSRALSRQLSSGVSEIRCOOH as substrate after 45 mins by FRET analysis


Bioorg Med Chem Lett 20: 4719-23 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.04.023
BindingDB Entry DOI: 10.7270/Q2BZ66C2
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50348496
PNG
(CHEMBL1801284)
Show SMILES Fc1ccccc1-c1cc2-c3[nH]c4c(c3CCc2cn1)C(=O)NCC41CNC1
Show InChI InChI=1S/C22H19FN4O/c23-16-4-2-1-3-13(16)17-7-15-12(8-25-17)5-6-14-18-20(27-19(14)15)22(9-24-10-22)11-26-21(18)28/h1-4,7-8,24,27H,5-6,9-11H2,(H,26,28)
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n/an/a 100n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of MK2 mediated anisomycin-stimulated hsp27 phosphorylation in human THP-1 cells by fluorometric analysis


Bioorg Med Chem Lett 20: 4719-23 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.04.023
BindingDB Entry DOI: 10.7270/Q2BZ66C2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50076188
PNG
(CHEMBL3416025)
Show SMILES N[C@H]1CCCC[C@H]1Nc1nnc(C(N)=O)c(Nc2cccc(c2)-n2nccn2)n1 |r|
Show InChI InChI=1/C18H22N10O/c19-13-6-1-2-7-14(13)24-18-25-17(15(16(20)29)26-27-18)23-11-4-3-5-12(10-11)28-21-8-9-22-28/h3-5,8-10,13-14H,1-2,6-7,19H2,(H2,20,29)(H2,23,24,25,27)/t13-,14+/s2
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n/an/a 104n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of Syk in anti-igM stimulated human Ramos B cells assessed as phospho-BLNK level preincubated for 30 mins followed by anti-IgM stimulation...


J Med Chem 58: 1950-63 (2015)


Article DOI: 10.1021/jm5018863
BindingDB Entry DOI: 10.7270/Q2G44S0C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
G-protein coupled receptor 4 (GPR4)


(Homo sapiens (Human))
BDBM123515
PNG
(US8748435, 40)
Show SMILES CCc1nc2c(C)cc(C)nc2n1Cc1ccc(\C=C\CN2CCN(CC2)C(C)C)cc1
Show InChI InChI=1S/C27H37N5/c1-6-25-29-26-21(4)18-22(5)28-27(26)32(25)19-24-11-9-23(10-12-24)8-7-13-30-14-16-31(17-15-30)20(2)3/h7-12,18,20H,6,13-17,19H2,1-5H3/b8-7+
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n/an/a 110n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL




Bioorg Med Chem 25: 4512-4525 (2017)


Article DOI: 10.1016/j.bmc.2017.06.050
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50348505
PNG
(CHEMBL1801300)
Show SMILES Fc1ccc(cn1)-c1ncc2CCc3c([nH]c4CC5(CC5)NC(=O)c34)-c2n1
Show InChI InChI=1S/C20H16FN5O/c21-14-4-2-11(9-22-14)18-23-8-10-1-3-12-15-13(24-17(12)16(10)25-18)7-20(5-6-20)26-19(15)27/h2,4,8-9,24H,1,3,5-7H2,(H,26,27)
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n/an/a 120n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human MK2 using biotinyl-AYSRALSRQLSSGVSEIRCOOH as substrate after 45 mins by FRET analysis


Bioorg Med Chem Lett 20: 4719-23 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.04.023
BindingDB Entry DOI: 10.7270/Q2BZ66C2
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50348522
PNG
(CHEMBL1801293)
Show SMILES CC(=O)N1CC2(C1)CNC(=O)c1c3CCc4cnc(cc4-c3[nH]c21)-c1ccccc1F
Show InChI InChI=1S/C24H21FN4O2/c1-13(30)29-11-24(12-29)10-27-23(31)20-16-7-6-14-9-26-19(15-4-2-3-5-18(15)25)8-17(14)21(16)28-22(20)24/h2-5,8-9,28H,6-7,10-12H2,1H3,(H,27,31)
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n/an/a 120n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human MK2 using biotinyl-AYSRALSRQLSSGVSEIRCOOH as substrate after 45 mins by FRET analysis


Bioorg Med Chem Lett 20: 4719-23 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.04.023
BindingDB Entry DOI: 10.7270/Q2BZ66C2
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50348506
PNG
(CHEMBL1801282)
Show SMILES COc1ccc(cc1)-c1cc2-c3[nH]c4c(c3CCc2cn1)C(=O)NCC41CC1
Show InChI InChI=1S/C23H21N3O2/c1-28-15-5-2-13(3-6-15)18-10-17-14(11-24-18)4-7-16-19-21(26-20(16)17)23(8-9-23)12-25-22(19)27/h2-3,5-6,10-11,26H,4,7-9,12H2,1H3,(H,25,27)
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n/an/a 130n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human MK2 using biotinyl-AYSRALSRQLSSGVSEIRCOOH as substrate after 45 mins by FRET analysis


Bioorg Med Chem Lett 20: 4719-23 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.04.023
BindingDB Entry DOI: 10.7270/Q2BZ66C2
More data for this
Ligand-Target Pair
G-protein coupled receptor 4 (GPR4)


(Homo sapiens (Human))
BDBM50260348
PNG
(CHEMBL4068102)
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n/an/a 140n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL




Bioorg Med Chem 25: 4512-4525 (2017)


Article DOI: 10.1016/j.bmc.2017.06.050
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50348507
PNG
(CHEMBL1801276)
Show SMILES Fc1ccccc1-c1cc2-c3[nH]c4CC5(CC5)NC(=O)c4c3CCc2cn1
Show InChI InChI=1S/C22H18FN3O/c23-16-4-2-1-3-13(16)17-9-15-12(11-24-17)5-6-14-19-18(25-20(14)15)10-22(7-8-22)26-21(19)27/h1-4,9,11,25H,5-8,10H2,(H,26,27)
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n/an/a 140n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human MK2 using biotinyl-AYSRALSRQLSSGVSEIRCOOH as substrate after 45 mins by FRET analysis


Bioorg Med Chem Lett 20: 4719-23 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.04.023
BindingDB Entry DOI: 10.7270/Q2BZ66C2
More data for this
Ligand-Target Pair
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