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SMILES: Nc1ncnc2oc(c(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)c12)-c1cccnc1

InChI Key: InChIKey=XFTFQOAUKKRYKT-UHFFFAOYSA-N

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 3 hits for monomerid = 50373013   
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 beta


(Homo sapiens (Human))
BDBM50373013
PNG
(CHEMBL258081)
Show SMILES Nc1ncnc2oc(c(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)c12)-c1cccnc1
Show InChI InChI=1S/C23H17N5O3S/c24-22-20-19(21(16-5-4-12-25-13-16)31-23(20)27-14-26-22)15-8-10-17(11-9-15)28-32(29,30)18-6-2-1-3-7-18/h1-14,28H,(H2,24,26,27)
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PC cid
PC sid
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Article
PubMed
n/an/a 30n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human GSK3-beta by fluorescence anisotropy binding assay


Bioorg Med Chem Lett 18: 1967-71 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.113
BindingDB Entry DOI: 10.7270/Q2PR7WV1
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50373013
PNG
(CHEMBL258081)
Show SMILES Nc1ncnc2oc(c(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)c12)-c1cccnc1
Show InChI InChI=1S/C23H17N5O3S/c24-22-20-19(21(16-5-4-12-25-13-16)31-23(20)27-14-26-22)15-8-10-17(11-9-15)28-32(29,30)18-6-2-1-3-7-18/h1-14,28H,(H2,24,26,27)
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Article
PubMed
n/an/a 1.12E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


Bioorg Med Chem Lett 18: 1967-71 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.113
BindingDB Entry DOI: 10.7270/Q2PR7WV1
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Rattus norvegicus (rat))
BDBM50373013
PNG
(CHEMBL258081)
Show SMILES Nc1ncnc2oc(c(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)c12)-c1cccnc1
Show InChI InChI=1S/C23H17N5O3S/c24-22-20-19(21(16-5-4-12-25-13-16)31-23(20)27-14-26-22)15-8-10-17(11-9-15)28-32(29,30)18-6-2-1-3-7-18/h1-14,28H,(H2,24,26,27)
PDB
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Article
PubMed
n/an/an/an/a 3.20E+3n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of rat GSK3-beta in L6 cells assessed as accumulation of glycogen


Bioorg Med Chem Lett 18: 1967-71 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.113
BindingDB Entry DOI: 10.7270/Q2PR7WV1
More data for this
Ligand-Target Pair