Reaction Details  Report a problem with these data
Target
Mothers against decapentaplegic homolog 3
Ligand
BDBM40305
Substrate
n/a
Meas. Tech.
SMAD Transcription Factor Inhibitors Dose Response Confirmation
IC50
11030±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:
BDBM40305
Synonyms:
2-[(6-amino-3,5-dicyano-4-p-phenetyl-2-pyridyl)thio]acetic acid butyl ester | 2-[[6-amino-3,5-dicyano-4-(4-ethoxyphenyl)-2-pyridinyl]thio]acetic acid butyl ester | MLS000079557 | SMR000034261 | butyl 2-[6-amino-3,5-dicyano-4-(4-ethoxyphenyl)pyridin-2-yl]sulfanylacetate | butyl 2-[6-azanyl-3,5-dicyano-4-(4-ethoxyphenyl)pyridin-2-yl]sulfanylethanoate | cid_659844
Type:
Small organic molecule
Emp. Form.:
C21H22N4O3S
Mol. Mass.:
410.489
SMILES:
CCCCOC(=O)CSc1nc(N)c(C#N)c(-c2ccc(OCC)cc2)c1C#N
Structure:
Search PDB for entries with ligand similarity: