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BDBM17143 2-imino-thiazolidin-4-one analog, 4::4-(5-{[(5Z)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoic acid

SMILES: OC(=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=N)NC2=O)o1

InChI Key: InChIKey=JLRKRQCTYQGDKJ-GHXNOFRVSA-N

Data: 1 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 1 hit for monomerid = 17143   
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))
BDBM17143
PNG
(2-imino-thiazolidin-4-one analog, 4 | 4-(5-{[(5Z)-...)
Show SMILES OC(=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=N)NC2=O)o1
Show InChI InChI=1S/C15H10N2O4S/c16-15-17-13(18)12(22-15)7-10-5-6-11(21-10)8-1-3-9(4-2-8)14(19)20/h1-7H,(H,19,20)(H2,16,17,18)/b12-7-
PDB
MMDB

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PC cid
PC sid
PDB
UniChem

Similars

DrugBank
PDB
Article
PubMed
n/an/a 4.70E+4n/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)