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Compile Data Set for Download or QSAR

Found 2 hits of kon for monomerid = 14831   
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
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM14831
PNG
(3-(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)-1-(4-chl...)
Show SMILES Cn1nc(cc1NC(=O)Nc1ccc(Cl)cc1)C(C)(C)C
Show InChI InChI=1S/C15H19ClN4O/c1-15(2,3)12-9-13(20(4)19-12)18-14(21)17-11-7-5-10(16)6-8-11/h5-9H,1-4H3,(H2,17,18,21)
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n/an/an/an/an/a 0.140 1.18E+5n/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for Mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 13: 3101-4 (2003)


BindingDB Entry DOI: 10.7270/Q2CR5SSB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM14831
PNG
(3-(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)-1-(4-chl...)
Show SMILES Cn1nc(cc1NC(=O)Nc1ccc(Cl)cc1)C(C)(C)C
Show InChI InChI=1S/C15H19ClN4O/c1-15(2,3)12-9-13(20(4)19-12)18-14(21)17-11-7-5-10(16)6-8-11/h5-9H,1-4H3,(H2,17,18,21)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
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antibodypedia
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CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

DrugBank
MMDB
PDB
PubMed
n/an/an/an/an/an/a 1.18E+5n/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for Mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 13: 3101-4 (2003)


BindingDB Entry DOI: 10.7270/Q2CR5SSB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)