Reaction Details Report a problem with these data
Target
Stromelysin-1
Ligand
BDBM50070240
Substrate
n/a
Meas. Tech.
ChEBML_104711
IC50
13±n/a nM
Citation
Campbell, DA; Xiao, XY; Harris, D; Ida, S; Mortezaei, R; Ngu, K; Shi, L; Tien, D; Wang, Y; Navre, M; Patel, DV; Sharr, MA; DiJoseph, JF; Killar, LM; Leone, CL; Levin, JI; Skotnicki, JS Malonyl alpha-mercaptoketones and alpha-mercaptoalcohols, a new class of matrix metalloproteinase inhibitors. Bioorg Med Chem Lett 8:1157-62 (1999) [PubMed] Article
More Info.:
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:
BDBM50070240
Synonyms:
2-(2-Mercapto-acetyl)-nonanoic acid [(S)-1-(2-ethylamino-4-methyl-pentanoylcarbamoyl)-5-(toluene-4-sulfonylamino)-pentyl]-amide | CHEMBL16664
Type:
Small organic molecule
Emp. Form.:
C32H54N4O6S2
Mol. Mass.:
654.924
SMILES:
CCCCCCCC(C(=O)CS)C(=O)N[C@@H](CCCCNS(=O)(=O)c1ccc(C)cc1)C(=O)NC(=O)C(CC(C)C)NCC