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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Glycogen synthase kinase-3 alpha' and Ligand = 'BDBM8246'   
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 alpha


(Homo sapiens (Human))
BDBM8246
PNG
(3-[(3-chloro-4-hydroxyphenyl)amino]-4-(3-chlorophe...)
Show SMILES Oc1ccc(NC2=C(C(=O)NC2=O)c2cccc(Cl)c2)cc1Cl |t:6|
Show InChI InChI=1S/C16H10Cl2N2O3/c17-9-3-1-2-8(6-9)13-14(16(23)20-15(13)22)19-10-4-5-12(21)11(18)7-10/h1-7,21H,(H2,19,20,22,23)
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n/an/a 28n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM8246
PNG
(3-[(3-chloro-4-hydroxyphenyl)amino]-4-(3-chlorophe...)
Show SMILES Oc1ccc(NC2=C(C(=O)NC2=O)c2cccc(Cl)c2)cc1Cl |t:6|
Show InChI InChI=1S/C16H10Cl2N2O3/c17-9-3-1-2-8(6-9)13-14(16(23)20-15(13)22)19-10-4-5-12(21)11(18)7-10/h1-7,21H,(H2,19,20,22,23)
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Article
PubMed
n/an/a 94n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzyme and substrate in the presence 10 uM ATP/ [gamma-33P] ATP. Aft...


Bioorg Med Chem Lett 11: 635-9 (2001)


Article DOI: 10.1016/s0960-894x(00)00721-6
BindingDB Entry DOI: 10.7270/Q2QV3JRC
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM8246
PNG
(3-[(3-chloro-4-hydroxyphenyl)amino]-4-(3-chlorophe...)
Show SMILES Oc1ccc(NC2=C(C(=O)NC2=O)c2cccc(Cl)c2)cc1Cl |t:6|
Show InChI InChI=1S/C16H10Cl2N2O3/c17-9-3-1-2-8(6-9)13-14(16(23)20-15(13)22)19-10-4-5-12(21)11(18)7-10/h1-7,21H,(H2,19,20,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 94n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00099
BindingDB Entry DOI: 10.7270/Q23200WW
More data for this
Ligand-Target Pair