Reaction Details Report a problem with these data
Target
Mothers against decapentaplegic homolog 3
Ligand
BDBM41968
Substrate
n/a
Meas. Tech.
SMAD Transcription Factor Inhibitors Secondary Dose Response Confirmation
IC50
3967.991952±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:
BDBM41968
Synonyms:
6-[4-morpholinyl-(2,3,4-trimethoxyphenyl)methyl]-1,3-benzodioxol-5-ol | 6-[morpholin-4-yl-(2,3,4-trimethoxyphenyl)methyl]-1,3-benzodioxol-5-ol | 6-[morpholino-(2,3,4-trimethoxyphenyl)methyl]sesamol | cid_343009
Type:
Small organic molecule
Emp. Form.:
C21H25NO7
Mol. Mass.:
403.4257
SMILES:
COc1ccc(C(N2CCOCC2)c2cc3OCOc3cc2O)c(OC)c1OC
Structure:
Search PDB for entries with ligand similarity: