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BDBM50425384 CHEMBL2316466

SMILES: Fc1cc(F)c(Nc2ccc3c(CCc4ccc(OCCN5CCOCC5)cc4C3=O)c2)cc1NC(=O)c1ccsc1

InChI Key: InChIKey=QVHLCAGXXZQPBF-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50425384   
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))
BDBM50425384
PNG
(CHEMBL2316466)
Show SMILES Fc1cc(F)c(Nc2ccc3c(CCc4ccc(OCCN5CCOCC5)cc4C3=O)c2)cc1NC(=O)c1ccsc1
Show InChI InChI=1S/C32H29F2N3O4S/c33-27-17-28(34)30(36-32(39)22-7-14-42-19-22)18-29(27)35-23-4-6-25-21(15-23)2-1-20-3-5-24(16-26(20)31(25)38)41-13-10-37-8-11-40-12-9-37/h3-7,14-19,35H,1-2,8-13H2,(H,36,39)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.5n/an/an/an/an/an/a



University of T£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAP kinase (unknown origin) by ELISA


J Med Chem 56: 241-53 (2013)


Article DOI: 10.1021/jm301539x
BindingDB Entry DOI: 10.7270/Q2TB187B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50425384
PNG
(CHEMBL2316466)
Show SMILES Fc1cc(F)c(Nc2ccc3c(CCc4ccc(OCCN5CCOCC5)cc4C3=O)c2)cc1NC(=O)c1ccsc1
Show InChI InChI=1S/C32H29F2N3O4S/c33-27-17-28(34)30(36-32(39)22-7-14-42-19-22)18-29(27)35-23-4-6-25-21(15-23)2-1-20-3-5-24(16-26(20)31(25)38)41-13-10-37-8-11-40-12-9-37/h3-7,14-19,35H,1-2,8-13H2,(H,36,39)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 12n/an/an/an/an/an/a



University of T£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAP kinase in whole blood (unknown origin) assessed as lipopolysaccharide-stimulated TNF-alpha release by ELISA


J Med Chem 56: 241-53 (2013)


Article DOI: 10.1021/jm301539x
BindingDB Entry DOI: 10.7270/Q2TB187B
More data for this
Ligand-Target Pair