Reaction Details Report a problem with these data
Target
Mothers against decapentaplegic homolog 3
Ligand
BDBM40161
Substrate
n/a
Meas. Tech.
SMAD Transcription Factor Inhibitors Dose Response Confirmation
IC50
771±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:
BDBM40161
Synonyms:
8-bromo-2-(methoxymethyl)-3-methyl-4,5-dioxo-1-benzo[e]indolecarboxylic acid ethyl ester | 8-bromo-4,5-diketo-2-(methoxymethyl)-3-methyl-benz[e]indole-1-carboxylic acid ethyl ester | MLS000594449 | SMR000114469 | cid_1736158 | ethyl 8-bromanyl-2-(methoxymethyl)-3-methyl-4,5-bis(oxidanylidene)benzo[e]indole-1-carboxylate | ethyl 8-bromo-2-(methoxymethyl)-3-methyl-4,5-dioxo-4,5-dihydro-3H-benzo[e]indole-1-carboxylate | ethyl 8-bromo-2-(methoxymethyl)-3-methyl-4,5-dioxobenzo[e]indole-1-carboxylate
Type:
Small organic molecule
Emp. Form.:
C18H16BrNO5
Mol. Mass.:
406.227
SMILES:
CCOC(=O)c1c(COC)n(C)c2c1-c1cc(Br)ccc1C(=O)C2=O
Structure:
Search PDB for entries with ligand similarity: