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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for entry = 50046007   
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))
BDBM50090908
PNG
(CHEBI:67291 | CHEMBL1774404)
Show SMILES [H][C@@]1(COC(=O)C1)[C@]1([H])CC=C2[C@@]1(C)CC[C@@]1([H])[C@@]2(C)[C@@H](C[C@@]2([H])C(C)(C)C(=O)C=C[C@]12C)OC(C)=O |r,c:11,32|
Show InChI InChI=1/C28H38O5/c1-16(29)33-23-14-21-25(2,3)22(30)10-12-27(21,5)20-9-11-26(4)18(17-13-24(31)32-15-17)7-8-19(26)28(20,23)6/h8,10,12,17-18,20-21,23H,7,9,11,13-15H2,1-6H3/t17-,18+,20-,21+,23-,26+,27-,28+/s2
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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Activation of GSK-3beta in HEK293 cells assessed as suppression of TCF/beta-catenin transcriptional activity after 24 hrs by SuperTOPFlash reporter g...


J Nat Prod 78: 1139-46 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00153
BindingDB Entry DOI: 10.7270/Q2P270VC
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50090907
PNG
(CHEBI:66041 | CHEMBL444160)
Show SMILES Oc1ccc2c3ccnc4ccc(=O)n(c2c1)c34
Show InChI InChI=1S/C14H8N2O2/c17-8-1-2-9-10-5-6-15-11-3-4-13(18)16(14(10)11)12(9)7-8/h1-7,17H
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UniChem
Article
PubMed
n/an/a 6.80E+3n/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Activation of GSK-3beta in HEK293 cells assessed as suppression of TCF/beta-catenin transcriptional activity after 24 hrs by SuperTOPFlash reporter g...


J Nat Prod 78: 1139-46 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00153
BindingDB Entry DOI: 10.7270/Q2P270VC
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50090909
PNG
(CHEMBL3120496)
Show SMILES OC[C@H]1O[C@@H](Oc2ccc3c4ccnc5ccc(=O)n(c3c2)c45)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1/C20H18N2O7/c23-8-14-17(25)18(26)19(27)20(29-14)28-9-1-2-10-11-5-6-21-12-3-4-15(24)22(16(11)12)13(10)7-9/h1-7,14,17-20,23,25-27H,8H2/t14-,17-,18+,19-,20-/s2
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KEGG

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KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.16E+4n/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Activation of GSK-3beta in HEK293 cells assessed as suppression of TCF/beta-catenin transcriptional activity after 24 hrs by SuperTOPFlash reporter g...


J Nat Prod 78: 1139-46 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00153
BindingDB Entry DOI: 10.7270/Q2P270VC
More data for this
Ligand-Target Pair