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SMILES: OCCNC(=O)c1ccc2CCc3cc(Nc4ccc(F)cc4F)ccc3C(=O)c2c1

InChI Key: InChIKey=WMVRVNUPSRSIBL-UHFFFAOYSA-N

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50425379   
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))
BDBM50425379
PNG
(CHEMBL2316478)
Show SMILES OCCNC(=O)c1ccc2CCc3cc(Nc4ccc(F)cc4F)ccc3C(=O)c2c1
Show InChI InChI=1S/C24H20F2N2O3/c25-17-5-8-22(21(26)13-17)28-18-6-7-19-15(11-18)3-1-14-2-4-16(12-20(14)23(19)30)24(31)27-9-10-29/h2,4-8,11-13,28-29H,1,3,9-10H2,(H,27,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 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))
BDBM50425379
PNG
(CHEMBL2316478)
Show SMILES OCCNC(=O)c1ccc2CCc3cc(Nc4ccc(F)cc4F)ccc3C(=O)c2c1
Show InChI InChI=1S/C24H20F2N2O3/c25-17-5-8-22(21(26)13-17)28-18-6-7-19-15(11-18)3-1-14-2-4-16(12-20(14)23(19)30)24(31)27-9-10-29/h2,4-8,11-13,28-29H,1,3,9-10H2,(H,27,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 27n/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