Reaction Details Report a problem with these data
Target
Stromelysin-1
Ligand
BDBM50121942
Substrate
n/a
Meas. Tech.
ChEMBL_205630 (CHEMBL813066)
IC50
670.0±n/a nM
Citation
 Hajduk, PJ; Shuker, SB; Nettesheim, DG; Craig, R; Augeri, DJ; Betebenner, D; Albert, DH; Guo, Y; Meadows, RP; Xu, L; Michaelides, M; Davidsen, SK; Fesik, SW NMR-based modification of matrix metalloproteinase inhibitors with improved bioavailability. J Med Chem 45:5628-39 (2002) [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:
BDBM50121942
Synonyms:
2-[2-(4'-Chloro-biphenyl-4-sulfonyl)-ethoxy]-naphthalene-1-carboxylic acid hydroxyamide | CHEMBL152413
Type:
Small organic molecule
Emp. Form.:
C25H20ClNO5S
Mol. Mass.:
481.948
SMILES:
ONC(=O)c1c(OCCS(=O)(=O)c2ccc(cc2)-c2ccc(Cl)cc2)ccc2ccccc12
Structure:
Search PDB for entries with ligand similarity: