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BDBM50479423 CHEMBL520235

SMILES: CC[C@H](CO)Nc1nc(Nc2cccc(c2)-c2ccccc2)c2ncn(C(C)C)c2n1

InChI Key: InChIKey=USVXPNPRZGNNEQ-LJQANCHMSA-N

Data: 2 IC50

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 = 50479423   
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


(Sus scrofa)
BDBM50479423
PNG
(CHEMBL520235)
Show SMILES CC[C@H](CO)Nc1nc(Nc2cccc(c2)-c2ccccc2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C24H28N6O/c1-4-19(14-31)27-24-28-22(21-23(29-24)30(15-25-21)16(2)3)26-20-12-8-11-18(13-20)17-9-6-5-7-10-17/h5-13,15-16,19,31H,4,14H2,1-3H3,(H2,26,27,28,29)/t19-/m1/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Universite Paris-Descartes

Curated by ChEMBL


Assay Description
Inhibition of pig brain GSK3alpha/beta


J Med Chem 51: 5229-42 (2008)


Article DOI: 10.1021/jm800109e
BindingDB Entry DOI: 10.7270/Q2DB84PF
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Sus scrofa)
BDBM50479423
PNG
(CHEMBL520235)
Show SMILES CC[C@H](CO)Nc1nc(Nc2cccc(c2)-c2ccccc2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C24H28N6O/c1-4-19(14-31)27-24-28-22(21-23(29-24)30(15-25-21)16(2)3)26-20-12-8-11-18(13-20)17-9-6-5-7-10-17/h5-13,15-16,19,31H,4,14H2,1-3H3,(H2,26,27,28,29)/t19-/m1/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Universite Paris-Descartes

Curated by ChEMBL


Assay Description
Inhibition of pig brain GSK3alpha/beta


J Med Chem 51: 5229-42 (2008)


Article DOI: 10.1021/jm800109e
BindingDB Entry DOI: 10.7270/Q2DB84PF
More data for this
Ligand-Target Pair