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BDBM17149 2-imino-thiazolidin-4-one analog, 11::4-(5-{[(5Z)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)-2-(trifluoromethyl)benzene-1-sulfonamide

SMILES: NS(=O)(=O)c1ccc(cc1C(F)(F)F)-c1ccc(\C=C2/SC(=N)NC2=O)o1

InChI Key: InChIKey=RGVVHQNJKUNSFQ-WDZFZDKYSA-N

Data: 2 IC50

PDB links: 1 PDB ID matches this monomer.

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 2 hits for monomerid = 17149   
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


(Rattus norvegicus (rat))
BDBM17149
PNG
(2-imino-thiazolidin-4-one analog, 11 | 4-(5-{[(5Z)...)
Show SMILES NS(=O)(=O)c1ccc(cc1C(F)(F)F)-c1ccc(\C=C2/SC(=N)NC2=O)o1
Show InChI InChI=1S/C15H10F3N3O4S2/c16-15(17,18)9-5-7(1-4-12(9)27(20,23)24)10-3-2-8(25-10)6-11-13(22)21-14(19)26-11/h1-6H,(H2,19,21,22)(H2,20,23,24)/b11-6-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
DrugBank
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 2n/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))
BDBM17149
PNG
(2-imino-thiazolidin-4-one analog, 11 | 4-(5-{[(5Z)...)
Show SMILES NS(=O)(=O)c1ccc(cc1C(F)(F)F)-c1ccc(\C=C2/SC(=N)NC2=O)o1
Show InChI InChI=1S/C15H10F3N3O4S2/c16-15(17,18)9-5-7(1-4-12(9)27(20,23)24)10-3-2-8(25-10)6-11-13(22)21-14(19)26-11/h1-6H,(H2,19,21,22)(H2,20,23,24)/b11-6-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
DrugBank
PC cid
PC sid
PDB
UniChem

Similars

DrugBank
PDB
Article
PubMed
n/an/a 610n/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)