Reaction Details Report a problem with these data
Target
Mothers against decapentaplegic homolog 3
Ligand
BDBM40310
Substrate
n/a
Meas. Tech.
SMAD Transcription Factor Inhibitors Dose Response Confirmation
IC50
8699±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:
BDBM40310
Synonyms:
2-(7-chloranyl-1-methyl-2-oxidanylidene-quinolin-4-yl)sulfanyl-N-[(1-ethylpyrrolidin-2-yl)methyl]ethanamide | 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide | 2-[(7-chloro-1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)thio]-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide | 2-[(7-chloro-1-methyl-2-oxo-4-quinolinyl)thio]-N-[(1-ethyl-2-pyrrolidinyl)methyl]acetamide | 2-[(7-chloro-2-keto-1-methyl-4-quinolyl)thio]-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide | MLS000092126 | SMR000027030 | cid_3244551
Type:
Small organic molecule
Emp. Form.:
C19H24ClN3O2S
Mol. Mass.:
393.931
SMILES:
CCN1CCCC1CNC(=O)CSc1cc(=O)n(C)c2cc(Cl)ccc12
Structure:
Search PDB for entries with ligand similarity: