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PubMed code 27660690

Compile data set for download or QSAR
Found 4 hits of Enzyme Inhibition Constant Data   
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))
BDBM50192879
PNG
(CHEMBL3969394)
Show SMILES O=C1Nc2ncccc2N[C@@H]1Cc1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C16H14N4O/c21-16-14(19-13-6-3-7-17-15(13)20-16)8-10-9-18-12-5-2-1-4-11(10)12/h1-7,9,14,18-19H,8H2,(H,17,20,21)/t14-/m1/s1
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Article
PubMed
n/an/a 1.80E+4n/an/an/an/an/an/a



Institute of Harvard and MIT

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length N-terminal GST tagged human GSK-3 beta expressed in baculovirus infected Sf9 insect cells using GSM as substrat...


ACS Med Chem Lett 7: 852-6 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00230
BindingDB Entry DOI: 10.7270/Q2RR217B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50192838
PNG
(CHEMBL3986013)
Show SMILES O=C1Nc2ncccc2N[C@H]1Cc1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C16H14N4O/c21-16-14(19-13-6-3-7-17-15(13)20-16)8-10-9-18-12-5-2-1-4-11(10)12/h1-7,9,14,18-19H,8H2,(H,17,20,21)/t14-/m0/s1
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Article
PubMed
n/an/a 3.22E+5n/an/an/an/an/an/a



Institute of Harvard and MIT

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length N-terminal GST tagged human GSK-3 beta expressed in baculovirus infected Sf9 insect cells using GSM as substrat...


ACS Med Chem Lett 7: 852-6 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00230
BindingDB Entry DOI: 10.7270/Q2RR217B
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50192879
PNG
(CHEMBL3969394)
Show SMILES O=C1Nc2ncccc2N[C@@H]1Cc1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C16H14N4O/c21-16-14(19-13-6-3-7-17-15(13)20-16)8-10-9-18-12-5-2-1-4-11(10)12/h1-7,9,14,18-19H,8H2,(H,17,20,21)/t14-/m1/s1
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Article
PubMed
n/an/an/a 9.00E+3n/an/an/an/an/a



Institute of Harvard and MIT

Curated by ChEMBL


Assay Description
Binding affinity to GSK-3 beta (unknown origin) after 30 mins by isothermal titration calorimetry


ACS Med Chem Lett 7: 852-6 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00230
BindingDB Entry DOI: 10.7270/Q2RR217B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50192839
PNG
(CHEMBL3984982)
Show SMILES C[C@H]1Nc2cccnc2NC1=O |r|
Show InChI InChI=1S/C8H9N3O/c1-5-8(12)11-7-6(10-5)3-2-4-9-7/h2-5,10H,1H3,(H,9,11,12)/t5-/m1/s1
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Article
PubMed
n/an/an/a 6.00E+5n/an/an/an/an/a



Institute of Harvard and MIT

Curated by ChEMBL


Assay Description
Binding affinity to GSK-3 beta (unknown origin) after 30 mins by isothermal titration calorimetry


ACS Med Chem Lett 7: 852-6 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00230
BindingDB Entry DOI: 10.7270/Q2RR217B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
* indicates data uncertainty>20%