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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50524518   
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))
BDBM50524518
PNG
(CHEMBL4442468)
Show SMILES CSc1nc(c([nH]1)-c1ccnc(NC(=O)[C@@H]2C[C@H]2c2ccccc2)c1)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C25H21FN4OS/c1-32-25-29-22(16-7-9-18(26)10-8-16)23(30-25)17-11-12-27-21(13-17)28-24(31)20-14-19(20)15-5-3-2-4-6-15/h2-13,19-20H,14H2,1H3,(H,29,30)(H,27,28,31)/t19-,20+/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAPK (unknown origin) using ATF-2 as substrate after 1 hr by ELISA


Eur J Med Chem 175: 309-329 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.035
BindingDB Entry DOI: 10.7270/Q29C71T1
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50524518
PNG
(CHEMBL4442468)
Show SMILES CSc1nc(c([nH]1)-c1ccnc(NC(=O)[C@@H]2C[C@H]2c2ccccc2)c1)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C25H21FN4OS/c1-32-25-29-22(16-7-9-18(26)10-8-16)23(30-25)17-11-12-27-21(13-17)28-24(31)20-14-19(20)15-5-3-2-4-6-15/h2-13,19-20H,14H2,1H3,(H,29,30)(H,27,28,31)/t19-,20+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 808n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant full length GSK3beta using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate preincubated with enzyme for 10 min...


Eur J Med Chem 175: 309-329 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.035
BindingDB Entry DOI: 10.7270/Q29C71T1
More data for this
Ligand-Target Pair