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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 = 'BDBM50392190'   
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))
BDBM50392190
PNG
(CHEMBL2152960)
Show SMILES OC[C@H](O)COc1ccc2c(CCc3cc(Nc4ccc(F)cc4F)ccc3C2=O)c1 |r|
Show InChI InChI=1S/C24H21F2NO4/c25-16-3-8-23(22(26)11-16)27-17-4-6-20-14(9-17)1-2-15-10-19(31-13-18(29)12-28)5-7-21(15)24(20)30/h3-11,18,27-29H,1-2,12-13H2/t18-/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Eberhard-Karls-University

Curated by ChEMBL


Assay Description
Inhibition of p38alpha by immunosorbent based kinase assay


J Med Chem 55: 5868-77 (2012)


Article DOI: 10.1021/jm300327h
BindingDB Entry DOI: 10.7270/Q2CV4JTJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50392190
PNG
(CHEMBL2152960)
Show SMILES OC[C@H](O)COc1ccc2c(CCc3cc(Nc4ccc(F)cc4F)ccc3C2=O)c1 |r|
Show InChI InChI=1S/C24H21F2NO4/c25-16-3-8-23(22(26)11-16)27-17-4-6-20-14(9-17)1-2-15-10-19(31-13-18(29)12-28)5-7-21(15)24(20)30/h3-11,18,27-29H,1-2,12-13H2/t18-/m0/s1
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 5.20E+3n/an/an/an/an/an/a



Eberhard-Karls-University

Curated by ChEMBL


Assay Description
Inhibition of p38alpha-dependent TNFalpha production in human whole blood


J Med Chem 55: 5868-77 (2012)


Article DOI: 10.1021/jm300327h
BindingDB Entry DOI: 10.7270/Q2CV4JTJ
More data for this
Ligand-Target Pair