Reaction Details Report a problem with these data
Target
Stromelysin-1
Ligand
BDBM50290671
Substrate
n/a
Meas. Tech.
ChEMBL_101947 (CHEMBL711198)
IC50
82±n/a nM
Citation
 Baxter, AD; Bhogal, R; Bird, JB; Buckley, GM; Gregory, DS; Hedger, PC; Manallack, DT; Massil, T; Minton, KJ; Montana, JG; Neidle, S; Owen, DA; Watson, RJ Mercaptoacyl matrix metalloproteinase inhibitors: The effect of substitution at the mercaptoacyl moiety Bioorg Med Chem Lett 7:2765-2770 (1997)    Article 
Target
Name:
Stromelysin-1
Synonyms:
MMP-3 | MMP3 | MMP3_HUMAN | Matrix metalloproteinase (2 and 3) | Matrix metalloproteinase 3 | Matrix metalloproteinase-3 | Matrix metalloproteinase-3 (MMP-3) | Matrix metalloproteinase-3 (MMP3) | SL-1 | STMY1 | Stromelysin 1 | Transin-1
Type:
Enzyme
Mol. Mass.:
53973.13
Organism:
Homo sapiens (Human)
Description:
P08254
Residue:
477
Sequence:
MKSLPILLLLCVAVCSAYPLDGAARGEDTSMNLVQKYLENYYDLKKDVKQFVRRKDSGPVVKKIREMQKFLGLEVTGKLDSDTLEVMRKPRCGVPDVGHFRTFPGIPKWRKTHLTYRIVNYTPDLPKDAVDSAVEKALKVWEEVTPLTFSRLYEGEADIMISFAVREHGDFYPFDGPGNVLAHAYAPGPGINGDAHFDDDEQWTKDTTGTNLFLVAAHEIGHSLGLFHSANTEALMYPLYHSLTDLTRFRLSQDDINGIQSLYGPPPDSPETPLVPTEPVPPEPGTPANCDPALSFDAVSTLRGEILIFKDRHFWRKSLRKLEPELHLISSFWPSLPSGVDAAYEVTSKDLVFIFKGNQFWAIRGNEVRAGYPRGIHTLGFPPTVRKIDAAISDKEKNKTYFFVEDKYWRFDEKRNSMEPGFPKQIAEDFPGIDSKIDAVFEEFGFFYFFTGSSQLEFDPNAKKVTHTLKSNSWLNC
  
Inhibitor
Name:
BDBM50290671
Synonyms:
(S)-4-(2,5-Dioxo-pyrrolidin-1-yl)-2-mercapto-N-[(R)-1-((S)-1-methylcarbamoyl-2-phenyl-ethylcarbamoyl)-2-methylsulfanyl-ethyl]-butyramide | CHEMBL92512
Type:
Small organic molecule
Emp. Form.:
C22H30N4O5S2
Mol. Mass.:
494.627
SMILES:
CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CSC)NC(=O)[C@@H](S)CCN1C(=O)CCC1=O
Structure:
Search PDB for entries with ligand similarity: