Reaction Details Report a problem with these data
Target
Mothers against decapentaplegic homolog 3
Ligand
BDBM41975
Substrate
n/a
Meas. Tech.
SMAD Transcription Factor Inhibitors Secondary Dose Response Confirmation
IC50
14053.53782±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:
BDBM41975
Synonyms:
6-[1,3-benzodioxol-5-yl-[4-[1,3-benzodioxol-5-yl-(6-hydroxy-1,3-benzodioxol-5-yl)methyl]-1-piperazinyl]methyl]-1,3-benzodioxol-5-ol | 6-[1,3-benzodioxol-5-yl-[4-[1,3-benzodioxol-5-yl-(6-hydroxy-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]methyl]-1,3-benzodioxol-5-ol | 6-[1,3-benzodioxol-5-yl-[4-[1,3-benzodioxol-5-yl-(6-hydroxy-1,3-benzodioxol-5-yl)methyl]piperazino]methyl]sesamol | 6-[1,3-benzodioxol-5-yl-[4-[1,3-benzodioxol-5-yl-(6-oxidanyl-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]methyl]-1,3-benzodioxol-5-ol | cid_339992
Type:
Small organic molecule
Emp. Form.:
C34H30N2O10
Mol. Mass.:
626.6094
SMILES:
Oc1cc2OCOc2cc1C(N1CCN(CC1)C(c1ccc2OCOc2c1)c1cc2OCOc2cc1O)c1ccc2OCOc2c1
Structure:
Search PDB for entries with ligand similarity: