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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 = 'BDBM50504180'   
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))
BDBM50504180
PNG
(CHEMBL4559825)
Show SMILES COc1ccc(cc1Cl)-c1nn(cc1-c1ccncc1)-c1cccc(NC(=O)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c1
Show InChI InChI=1S/C30H20ClF6N5O2/c1-44-26-6-5-18(11-25(26)31)27-24(17-7-9-38-10-8-17)16-42(41-27)23-4-2-3-21(15-23)39-28(43)40-22-13-19(29(32,33)34)12-20(14-22)30(35,36)37/h2-16H,1H3,(H2,39,40,43)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 307n/an/an/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha using MBP as substrate by [gamma-33P]-ATP assay


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111684
BindingDB Entry DOI: 10.7270/Q2Z03CFT
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50504180
PNG
(CHEMBL4559825)
Show SMILES COc1ccc(cc1Cl)-c1nn(cc1-c1ccncc1)-c1cccc(NC(=O)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c1
Show InChI InChI=1S/C30H20ClF6N5O2/c1-44-26-6-5-18(11-25(26)31)27-24(17-7-9-38-10-8-17)16-42(41-27)23-4-2-3-21(15-23)39-28(43)40-22-13-19(29(32,33)34)12-20(14-22)30(35,36)37/h2-16H,1H3,(H2,39,40,43)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.94E+3n/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of recombinant Nanoluc-tagged p38alpha (unknown origin) expressed in HEK293 cells incubated for 2 to 3 mins by NanoBRET assay


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111684
BindingDB Entry DOI: 10.7270/Q2Z03CFT
More data for this
Ligand-Target Pair