Reaction Details Report a problem with these data
Target
Mothers against decapentaplegic homolog 3
Ligand
BDBM40320
Substrate
n/a
Meas. Tech.
SMAD Transcription Factor Inhibitors Dose Response Confirmation
IC50
27650±n/a nM
Citation
 PubChem, PC SMAD Transcription Factor Inhibitors Dose Response Confirmation PubChem Bioassay (2007)[AID] 
Target
Name:
Mothers against decapentaplegic homolog 3
Synonyms:
MADH3 | SMAD3 | SMAD3_HUMAN
Type:
Enzyme Catalytic Domain
Mol. Mass.:
48085.78
Organism:
Homo sapiens (Human)
Description:
gi_5174513
Residue:
425
Sequence:
MSSILPFTPPIVKRLLGWKKGEQNGQEEKWCEKAVKSLVKKLKKTGQLDELEKAITTQNVNTKCITIPRSLDGRLQVSHRKGLPHVIYCRLWRWPDLHSHHELRAMELCEFAFNMKKDEVCVNPYHYQRVETPVLPPVLVPRHTEIPAEFPPLDDYSHSIPENTNFPAGIEPQSNIPETPPPGYLSEDGETSDHQMNHSMDAGSPNLSPNPMSPAHNNLDLQPVTYCEPAFWCSISYYELNQRVGETFHASQPSMTVDGFTDPSNSERFCLGLLSNVNRNAAVELTRRHIGRGVRLYYIGGEVFAECLSDSAIFVQSPNCNQRYGWHPATVCKIPPGCNLKIFNNQEFAALLAQSVNQGFEAVYQLTRMCTIRMSFVKGWGAEYRRQTVTSTPCWIELHLNGPLQWLDKVLTQMGSPSIRCSSVS
  
Inhibitor
Name:
BDBM40320
Synonyms:
(2E)-3-(4-methylphenyl)-2-(2,3,3-trichloro-1-nitroprop-2-enylidene)-1,3-thiazolidin-4-one | (2E)-3-(4-methylphenyl)-2-(2,3,3-trichloro-1-nitroprop-2-enylidene)-4-thiazolidinone | (2E)-3-(4-methylphenyl)-2-[2,3,3-tris(chloranyl)-1-nitro-prop-2-enylidene]-1,3-thiazolidin-4-one | (2E)-3-(p-tolyl)-2-(2,3,3-trichloro-1-nitro-prop-2-enylidene)thiazolidin-4-one | MLS000519216 | SMR000129635 | cid_5838525
Type:
Small organic molecule
Emp. Form.:
C13H9Cl3N2O3S
Mol. Mass.:
379.646
SMILES:
[#6]-c1ccc(cc1)-[n+]1c(-[#8])csc1-[#6-](\[#6](Cl)=[#6](\Cl)Cl)-[#7+](-[#8-])=O
Structure:
Search PDB for entries with ligand similarity: