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SMILES: CSc1nc(c([nH]1)-c1ccnc(NC(=O)Cc2ccc(cc2)C(F)(F)F)c1)-c1ccc(F)cc1

InChI Key: InChIKey=ADYBWDFCCQVDNE-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50524516   
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
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50524516
PNG
(CHEMBL4555766)
Show SMILES CSc1nc(c([nH]1)-c1ccnc(NC(=O)Cc2ccc(cc2)C(F)(F)F)c1)-c1ccc(F)cc1
Show InChI InChI=1S/C24H18F4N4OS/c1-34-23-31-21(15-4-8-18(25)9-5-15)22(32-23)16-10-11-29-19(13-16)30-20(33)12-14-2-6-17(7-3-14)24(26,27)28/h2-11,13H,12H2,1H3,(H,31,32)(H,29,30,33)
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 3.24E+3n/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
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50524516
PNG
(CHEMBL4555766)
Show SMILES CSc1nc(c([nH]1)-c1ccnc(NC(=O)Cc2ccc(cc2)C(F)(F)F)c1)-c1ccc(F)cc1
Show InChI InChI=1S/C24H18F4N4OS/c1-34-23-31-21(15-4-8-18(25)9-5-15)22(32-23)16-10-11-29-19(13-16)30-20(33)12-14-2-6-17(7-3-14)24(26,27)28/h2-11,13H,12H2,1H3,(H,31,32)(H,29,30,33)
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 29n/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
More data for this
Ligand-Target Pair