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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 14' and Ligand = 'BDBM50241010'   
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))
BDBM50241010
PNG
(CHEMBL4074237)
Show SMILES Cc1cc(F)c(NC(=O)c2ccccc2)cc1Nc1ccc2c(CCc3ccc(cc3C2=O)C(=O)NC[C@@H](O)CO)c1 |r|
Show InChI InChI=1S/C33H30FN3O5/c1-19-13-28(34)30(37-33(42)21-5-3-2-4-6-21)16-29(19)36-24-11-12-26-22(14-24)9-7-20-8-10-23(15-27(20)31(26)40)32(41)35-17-25(39)18-38/h2-6,8,10-16,25,36,38-39H,7,9,17-18H2,1H3,(H,35,41)(H,37,42)/t25-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.280n/an/an/an/an/an/a



Eberhard-Karls-Universitaet Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of P38 alpha MAPK in human whole blood assessed as reduction in TNF-alpha release after 10 mins by ELISA


J Med Chem 60: 8027-8054 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00745
BindingDB Entry DOI: 10.7270/Q2RV0QVZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50241010
PNG
(CHEMBL4074237)
Show SMILES Cc1cc(F)c(NC(=O)c2ccccc2)cc1Nc1ccc2c(CCc3ccc(cc3C2=O)C(=O)NC[C@@H](O)CO)c1 |r|
Show InChI InChI=1S/C33H30FN3O5/c1-19-13-28(34)30(37-33(42)21-5-3-2-4-6-21)16-29(19)36-24-11-12-26-22(14-24)9-7-20-8-10-23(15-27(20)31(26)40)32(41)35-17-25(39)18-38/h2-6,8,10-16,25,36,38-39H,7,9,17-18H2,1H3,(H,35,41)(H,37,42)/t25-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Eberhard-Karls-Universitaet Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of P38 alpha MAPK (unknown origin) by ELISA


J Med Chem 60: 8027-8054 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00745
BindingDB Entry DOI: 10.7270/Q2RV0QVZ
More data for this
Ligand-Target Pair