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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50312999   
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
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50312999
PNG
((S)-3-(3-(2,3-dihydroxypropyl)phenyl)-4-(1-methyl-...)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cccc(C[C@H](O)CO)c2)c2ccccc12 |r,t:4|
Show InChI InChI=1S/C22H20N2O4/c1-24-11-17(16-7-2-3-8-18(16)24)20-19(21(27)23-22(20)28)14-6-4-5-13(9-14)10-15(26)12-25/h2-9,11,15,25-26H,10,12H2,1H3,(H,23,27,28)/t15-/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.20n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3-beta assessed as [gamma33]ATP transfer to biotinylated CREB-peptide substrate after 1 hr by scintillation counti...


Bioorg Med Chem Lett 20: 1693-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.038
BindingDB Entry DOI: 10.7270/Q2ZK5HNS
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50312999
PNG
((S)-3-(3-(2,3-dihydroxypropyl)phenyl)-4-(1-methyl-...)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cccc(C[C@H](O)CO)c2)c2ccccc12 |r,t:4|
Show InChI InChI=1S/C22H20N2O4/c1-24-11-17(16-7-2-3-8-18(16)24)20-19(21(27)23-22(20)28)14-6-4-5-13(9-14)10-15(26)12-25/h2-9,11,15,25-26H,10,12H2,1H3,(H,23,27,28)/t15-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.40E+3n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Inhibition of PKCalpha


Bioorg Med Chem Lett 20: 1693-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.038
BindingDB Entry DOI: 10.7270/Q2ZK5HNS
More data for this
Ligand-Target Pair