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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 = 'BDBM50241015'   
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))
BDBM50241015
PNG
(CHEMBL4093914)
Show SMILES OCC(O)CNC(=O)c1ccc2CCc3cc(Nc4ccc(F)c(NC(=O)c5ccccc5)c4)ccc3C(=O)c2c1
Show InChI InChI=1S/C32H28FN3O5/c33-28-13-11-24(16-29(28)36-32(41)20-4-2-1-3-5-20)35-23-10-12-26-21(14-23)8-6-19-7-9-22(15-27(19)30(26)39)31(40)34-17-25(38)18-37/h1-5,7,9-16,25,35,37-38H,6,8,17-18H2,(H,34,40)(H,36,41)
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.800n/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
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50241015
PNG
(CHEMBL4093914)
Show SMILES OCC(O)CNC(=O)c1ccc2CCc3cc(Nc4ccc(F)c(NC(=O)c5ccccc5)c4)ccc3C(=O)c2c1
Show InChI InChI=1S/C32H28FN3O5/c33-28-13-11-24(16-29(28)36-32(41)20-4-2-1-3-5-20)35-23-10-12-26-21(14-23)8-6-19-7-9-22(15-27(19)30(26)39)31(40)34-17-25(38)18-37/h1-5,7,9-16,25,35,37-38H,6,8,17-18H2,(H,34,40)(H,36,41)
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 31n/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