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Compile Data Set for Download or QSAR

Found 3 hits of ic50 for monomerid = 50524513   
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))
BDBM50524513
PNG
(CHEMBL4520113)
Show SMILES COc1cc(CCC(=O)Nc2cc(ccn2)-c2[nH]c(SC)nc2-c2ccc(F)cc2)cc(OC)c1OC
Show InChI InChI=1S/C27H27FN4O4S/c1-34-20-13-16(14-21(35-2)26(20)36-3)5-10-23(33)30-22-15-18(11-12-29-22)25-24(31-27(32-25)37-4)17-6-8-19(28)9-7-17/h6-9,11-15H,5,10H2,1-4H3,(H,31,32)(H,29,30,33)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 88n/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))
BDBM50524513
PNG
(CHEMBL4520113)
Show SMILES COc1cc(CCC(=O)Nc2cc(ccn2)-c2[nH]c(SC)nc2-c2ccc(F)cc2)cc(OC)c1OC
Show InChI InChI=1S/C27H27FN4O4S/c1-34-20-13-16(14-21(35-2)26(20)36-3)5-10-23(33)30-22-15-18(11-12-29-22)25-24(31-27(32-25)37-4)17-6-8-19(28)9-7-17/h6-9,11-15H,5,10H2,1-4H3,(H,31,32)(H,29,30,33)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 363n/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
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM50524513
PNG
(CHEMBL4520113)
Show SMILES COc1cc(CCC(=O)Nc2cc(ccn2)-c2[nH]c(SC)nc2-c2ccc(F)cc2)cc(OC)c1OC
Show InChI InChI=1S/C27H27FN4O4S/c1-34-20-13-16(14-21(35-2)26(20)36-3)5-10-23(33)30-22-15-18(11-12-29-22)25-24(31-27(32-25)37-4)17-6-8-19(28)9-7-17/h6-9,11-15H,5,10H2,1-4H3,(H,31,32)(H,29,30,33)
PDB
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KEGG

UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.05E+3n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length GSK3alpha using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate preincubated with enzyme for 10 mins followed ...


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