Reaction Details Report a problem with these data
Target
Stromelysin-1
Ligand
BDBM50078187
Substrate
n/a
Meas. Tech.
ChEMBL_1472743 (CHEMBL3419053)
IC50
16±n/a nM
Citation
 Orbe, J; Sánchez-Arias, JA; Rabal, O; Rodríguez, JA; Salicio, A; Ugarte, A; Belzunce, M; Xu, M; Wu, W; Tan, H; Ma, H; Páramo, JA; Oyarzabal, J Design, synthesis, and biological evaluation of novel matrix metalloproteinase inhibitors as potent antihemorrhagic agents: from hit identification to an optimized lead. J Med Chem 58:2465-88 (2015) [PubMed]  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:
BDBM50078187
Synonyms:
CHEMBL3417754
Type:
Small organic molecule
Emp. Form.:
C22H27N3O6S
Mol. Mass.:
461.531
SMILES:
COc1ccc(Oc2ccc(cc2)S(=O)(=O)C2(CCC3(C2)CCNCC3)C(=O)NO)cn1
Structure:
Search PDB for entries with ligand similarity: