Reaction Details Report a problem with these data
Target
Mothers against decapentaplegic homolog 3
Ligand
BDBM41962
Substrate
n/a
Meas. Tech.
SMAD Transcription Factor Inhibitors Secondary Dose Response Confirmation
IC50
3276.961399±n/a nM
Citation
 PubChem, PC SMAD Transcription Factor Inhibitors Secondary Dose Response Confirmation PubChem Bioassay (2008)[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:
BDBM41962
Synonyms:
2-[(Z)-(3,4-dihydroxyphenyl)-(3-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methyl]besylic acid | 2-[(Z)-(3,4-dihydroxyphenyl)-(3-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]benzenesulfonic acid | 2-[(Z)-(3,4-dihydroxyphenyl)-(3-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonic acid | 2-[(Z)-[3,4-bis(oxidanyl)phenyl]-(3-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonic acid | TG2-222-3 | cid_6150402
Type:
Small organic molecule
Emp. Form.:
C19H14O7S
Mol. Mass.:
386.375
SMILES:
Oc1ccc(cc1O)C(=C1CC(=O)C(=O)C=C1)c1ccccc1S(O)(=O)=O |w:8.18,c:16|
Structure:
Search PDB for entries with ligand similarity: