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2 similar compounds to monomer 17143

Compile data set for download or QSAR
Wt: 349.3
BDBM17141
Wt: 313.3
BDBM17148

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 17141,17148   
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
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM17141
PNG
(2-imino-thiazolidin-4-one analog, 1 | 4-(5-{[(5Z)-...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=N)NC2=O)o1
Show InChI InChI=1S/C14H11N3O4S2/c15-14-17-13(18)12(22-14)7-9-3-6-11(21-9)8-1-4-10(5-2-8)23(16,19)20/h1-7H,(H2,15,17,18)(H2,16,19,20)/b12-7-
PDB
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KEGG

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PC cid
PC sid
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Similars

DrugBank
PDB
Article
PubMed
n/an/a 180n/an/an/an/a7.522



Vernalis (R&D) Ltd



Assay Description
In vitro kinase assay using purified CDK2/Cyclin A was incubated at room temperature with substrate, and test compounds in the presence of 100 uM ATP...


Bioorg Med Chem Lett 17: 3880-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.110
BindingDB Entry DOI: 10.7270/Q28G8HZQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glycogen Synthase Kinase-3, beta


(Rattus norvegicus (rat))
BDBM17141
PNG
(2-imino-thiazolidin-4-one analog, 1 | 4-(5-{[(5Z)-...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=N)NC2=O)o1
Show InChI InChI=1S/C14H11N3O4S2/c15-14-17-13(18)12(22-14)7-9-3-6-11(21-9)8-1-4-10(5-2-8)23(16,19)20/h1-7H,(H2,15,17,18)(H2,16,19,20)/b12-7-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
DrugBank
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 250n/an/an/an/a7.522



Vernalis (R&D) Ltd



Assay Description
In vitro kinase assay using purified GSK-3 beta was incubated at room temperature with substrate, and test compounds in the presence of 10 uM ATP/ [g...


Bioorg Med Chem Lett 17: 3880-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.110
BindingDB Entry DOI: 10.7270/Q28G8HZQ
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM17148
PNG
(2-imino-thiazolidin-4-one analog, 10 | 4-(5-{[(5Z)...)
Show SMILES NC(=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=N)NC2=O)o1
Show InChI InChI=1S/C15H11N3O3S/c16-13(19)9-3-1-8(2-4-9)11-6-5-10(21-11)7-12-14(20)18-15(17)22-12/h1-7H,(H2,16,19)(H2,17,18,20)/b12-7-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.30E+3n/an/an/an/a7.522



Vernalis (R&D) Ltd



Assay Description
In vitro kinase assay using purified CDK2/Cyclin A was incubated at room temperature with substrate, and test compounds in the presence of 100 uM ATP...


Bioorg Med Chem Lett 17: 3880-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.110
BindingDB Entry DOI: 10.7270/Q28G8HZQ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)