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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50241045   
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))
BDBM50241045
PNG
(CHEMBL4103539)
Show SMILES Fc1ccc(NC(=O)c2cccs2)cc1Nc1ccc2c(CCc3ccc(cc3C2=O)C(=O)NCCN2CCOCC2)c1
Show InChI InChI=1S/C33H31FN4O4S/c34-28-10-8-25(37-33(41)30-2-1-17-43-30)20-29(28)36-24-7-9-26-22(18-24)5-3-21-4-6-23(19-27(21)31(26)39)32(40)35-11-12-38-13-15-42-16-14-38/h1-2,4,6-10,17-20,36H,3,5,11-16H2,(H,35,40)(H,37,41)
PDB
MMDB

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KEGG

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.600n/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))
BDBM50241045
PNG
(CHEMBL4103539)
Show SMILES Fc1ccc(NC(=O)c2cccs2)cc1Nc1ccc2c(CCc3ccc(cc3C2=O)C(=O)NCCN2CCOCC2)c1
Show InChI InChI=1S/C33H31FN4O4S/c34-28-10-8-25(37-33(41)30-2-1-17-43-30)20-29(28)36-24-7-9-26-22(18-24)5-3-21-4-6-23(19-27(21)31(26)39)32(40)35-11-12-38-13-15-42-16-14-38/h1-2,4,6-10,17-20,36H,3,5,11-16H2,(H,35,40)(H,37,41)
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 35n/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