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Compile Data Set for Download or QSAR

Found 7 hits with Last Name = 'kipling' and Initial = 'd'   
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
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50411445
PNG
(CHEMBL235658)
Show SMILES Oc1ccc(NC(=O)CCCc2ccc(cc2)-c2ccccc2F)cc1
Show InChI InChI=1S/C22H20FNO2/c23-21-6-2-1-5-20(21)17-10-8-16(9-11-17)4-3-7-22(26)24-18-12-14-19(25)15-13-18/h1-2,5-6,8-15,25H,3-4,7H2,(H,24,26)
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330n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of MK2 in human TERT immortalised HCA2 cells assessed as inhibition of anisomycin-induced HSP27 phosphorylation at 2.5 uM by ELISA


Bioorg Med Chem Lett 17: 6832-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.036
BindingDB Entry DOI: 10.7270/Q2W095P4
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM15754
PNG
((2S)-3-(3-{[5-amino-1-(4-fluorophenyl)-1H-pyrazol-...)
Show SMILES Nc1c(cnn1-c1ccc(F)cc1)C(=O)c1cccc(OC[C@@H](O)CO)c1 |r|
Show InChI InChI=1S/C19H18FN3O4/c20-13-4-6-14(7-5-13)23-19(21)17(9-22-23)18(26)12-2-1-3-16(8-12)27-11-15(25)10-24/h1-9,15,24-25H,10-11,21H2/t15-/m0/s1
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n/an/a 180n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of p38alpha in hTERT-immortalized human HCA2 cells assessed as decrease in phosphorylated HSP27 level by ELISA in presence of anisomycin


Bioorg Med Chem Lett 18: 3745-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.037
BindingDB Entry DOI: 10.7270/Q2BG2NSG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM15754
PNG
((2S)-3-(3-{[5-amino-1-(4-fluorophenyl)-1H-pyrazol-...)
Show SMILES Nc1c(cnn1-c1ccc(F)cc1)C(=O)c1cccc(OC[C@@H](O)CO)c1 |r|
Show InChI InChI=1S/C19H18FN3O4/c20-13-4-6-14(7-5-13)23-19(21)17(9-22-23)18(26)12-2-1-3-16(8-12)27-11-15(25)10-24/h1-9,15,24-25H,10-11,21H2/t15-/m0/s1
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n/an/a 250n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of p38alpha-induced TNFalpha production in human THP1 cells


Bioorg Med Chem Lett 18: 3745-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.037
BindingDB Entry DOI: 10.7270/Q2BG2NSG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM15754
PNG
((2S)-3-(3-{[5-amino-1-(4-fluorophenyl)-1H-pyrazol-...)
Show SMILES Nc1c(cnn1-c1ccc(F)cc1)C(=O)c1cccc(OC[C@@H](O)CO)c1 |r|
Show InChI InChI=1S/C19H18FN3O4/c20-13-4-6-14(7-5-13)23-19(21)17(9-22-23)18(26)12-2-1-3-16(8-12)27-11-15(25)10-24/h1-9,15,24-25H,10-11,21H2/t15-/m0/s1
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n/an/a 400n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of p38alpha (unknown origin)-mediated IL1beta production in peripheral mononucleocytes


Bioorg Med Chem Lett 18: 3745-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.037
BindingDB Entry DOI: 10.7270/Q2BG2NSG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM15754
PNG
((2S)-3-(3-{[5-amino-1-(4-fluorophenyl)-1H-pyrazol-...)
Show SMILES Nc1c(cnn1-c1ccc(F)cc1)C(=O)c1cccc(OC[C@@H](O)CO)c1 |r|
Show InChI InChI=1S/C19H18FN3O4/c20-13-4-6-14(7-5-13)23-19(21)17(9-22-23)18(26)12-2-1-3-16(8-12)27-11-15(25)10-24/h1-9,15,24-25H,10-11,21H2/t15-/m0/s1
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n/an/a 500n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of p38alpha (unknown origin)-mediated TNFalpha production in peripheral mononucleocytes


Bioorg Med Chem Lett 18: 3745-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.037
BindingDB Entry DOI: 10.7270/Q2BG2NSG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50225787
PNG
(2,4-diamino-6,7-dihydroxy-10H-9-oxa-1-aza-anthrace...)
Show SMILES Nc1nc2Oc3cc(O)c(O)cc3Cc2c(N)c1C#N
Show InChI InChI=1S/C13H10N4O3/c14-4-7-11(15)6-1-5-2-8(18)9(19)3-10(5)20-13(6)17-12(7)16/h2-3,18-19H,1H2,(H4,15,16,17)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of MK2 in human TERT immortalised HCA2 cells assessed as inhibition of anisomycin-induced HSP27 phosphorylation by ELISA


Bioorg Med Chem Lett 17: 6832-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.036
BindingDB Entry DOI: 10.7270/Q2W095P4
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM15754
PNG
((2S)-3-(3-{[5-amino-1-(4-fluorophenyl)-1H-pyrazol-...)
Show SMILES Nc1c(cnn1-c1ccc(F)cc1)C(=O)c1cccc(OC[C@@H](O)CO)c1 |r|
Show InChI InChI=1S/C19H18FN3O4/c20-13-4-6-14(7-5-13)23-19(21)17(9-22-23)18(26)12-2-1-3-16(8-12)27-11-15(25)10-24/h1-9,15,24-25H,10-11,21H2/t15-/m0/s1
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n/an/an/a 5.00E+3n/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of JNK2 (unknown origin)


Bioorg Med Chem Lett 18: 3745-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.037
BindingDB Entry DOI: 10.7270/Q2BG2NSG
More data for this
Ligand-Target Pair