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4 similar compounds to monomer 50376226

Compile data set for download or QSAR
Wt: 358.3
BDBM50331619
Wt: 438.4
BDBM50376229
Wt: 410.4
BDBM50376230
Wt: 421.4
BDBM50376232

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50331619,50376229,50376230,50376232   
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))
BDBM50331619
PNG
(CHEMBL410668 | N,4-dimethyl-3-(1-phenyl-1H-pyrazol...)
Show SMILES CNC(=O)c1ccc(C)c(Nc2ncnc3n(ncc23)-c2ccccc2)c1
Show InChI InChI=1S/C20H18N6O/c1-13-8-9-14(20(27)21-2)10-17(13)25-18-16-11-24-26(19(16)23-12-22-18)15-6-4-3-5-7-15/h3-12H,1-2H3,(H,21,27)(H,22,23,25)
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n/an/a 10n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha


Bioorg Med Chem Lett 20: 6886-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.034
BindingDB Entry DOI: 10.7270/Q2BP0319
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50376229
PNG
(CHEMBL258974)
Show SMILES CCn1ccc(NC(=O)c2ccc(C)c(Nc3ncnc4n(ncc34)-c3ccccc3)c2)n1
Show InChI InChI=1S/C24H22N8O/c1-3-31-12-11-21(30-31)29-24(33)17-10-9-16(2)20(13-17)28-22-19-14-27-32(23(19)26-15-25-22)18-7-5-4-6-8-18/h4-15H,3H2,1-2H3,(H,25,26,28)(H,29,30,33)
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n/an/a 8n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha-mediated myelin basic protein phosphorylation


Bioorg Med Chem Lett 18: 2652-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.019
BindingDB Entry DOI: 10.7270/Q2C53MR6
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50331619
PNG
(CHEMBL410668 | N,4-dimethyl-3-(1-phenyl-1H-pyrazol...)
Show SMILES CNC(=O)c1ccc(C)c(Nc2ncnc3n(ncc23)-c2ccccc2)c1
Show InChI InChI=1S/C20H18N6O/c1-13-8-9-14(20(27)21-2)10-17(13)25-18-16-11-24-26(19(16)23-12-22-18)15-6-4-3-5-7-15/h3-12H,1-2H3,(H,21,27)(H,22,23,25)
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Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha-mediated myelin basic protein phosphorylation


Bioorg Med Chem Lett 18: 2652-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.019
BindingDB Entry DOI: 10.7270/Q2C53MR6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50376232
PNG
(CHEMBL261235)
Show SMILES Cc1ccc(cc1Nc1ncnc2n(ncc12)-c1ccccc1)C(=O)Nc1cccnc1
Show InChI InChI=1S/C24H19N7O/c1-16-9-10-17(24(32)29-18-6-5-11-25-13-18)12-21(16)30-22-20-14-28-31(23(20)27-15-26-22)19-7-3-2-4-8-19/h2-15H,1H3,(H,29,32)(H,26,27,30)
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n/an/a 240n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha-mediated myelin basic protein phosphorylation


Bioorg Med Chem Lett 18: 2652-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.019
BindingDB Entry DOI: 10.7270/Q2C53MR6
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50376230
PNG
(CHEMBL410136)
Show SMILES Cc1ccc(cc1Nc1ncnc2n(ncc12)-c1ccccc1)C(=O)Nc1ccn[nH]1
Show InChI InChI=1S/C22H18N8O/c1-14-7-8-15(22(31)28-19-9-10-25-29-19)11-18(14)27-20-17-12-26-30(21(17)24-13-23-20)16-5-3-2-4-6-16/h2-13H,1H3,(H,23,24,27)(H2,25,28,29,31)
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n/an/a 3n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha-mediated myelin basic protein phosphorylation


Bioorg Med Chem Lett 18: 2652-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.019
BindingDB Entry DOI: 10.7270/Q2C53MR6
More data for this
Ligand-Target Pair