Reaction Details Report a problem with these data
Target
Stromelysin-1
Ligand
BDBM11885
Substrate
n/a
Meas. Tech.
ChEMBL_754460 (CHEMBL1806085)
IC50
13±n/a nM
Citation
 Becker, DP; Barta, TE; Bedell, LJ; Boehm, TL; Bond, BR; Carroll, J; Carron, CP; Decrescenzo, GA; Easton, AM; Freskos, JN; Funckes-Shippy, CL; Heron, M; Hockerman, S; Howard, CP; Kiefer, JR; Li, MH; Mathis, KJ; McDonald, JJ; Mehta, PP; Munie, GE; Sunyer, T; Swearingen, CA; Villamil, CI; Welsch, D; Williams, JM; Yu, Y; Yao, J Orally active MMP-1 sparinga-tetrahydropyranyl anda-piperidinyl sulfone matrix metalloproteinase (MMP) inhibitors with efficacy in cancer, arthritis, and cardiovascular disease. J Med Chem 53:6653-80 (2010) [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:
BDBM11885
Synonyms:
CHEMBL1082381 | N-Hydroxy-4-{[4-(phenylthio)phenyl]sulfonyl}-1-(2-propynyl)-4-piperidinecarboxamide, Monohydrochloride | N-hydroxy-4-{[4-(phenylsulfanyl)benzene]sulfonyl}-1-(prop-2-yn-1-yl)piperidine-4-carboxamide hydrochloride | SC-276 | alpha-sulfone 35f
Type:
Small organic molecule
Emp. Form.:
C21H22N2O4S2
Mol. Mass.:
430.54
SMILES:
ONC(=O)C1(CCN(CC#C)CC1)S(=O)(=O)c1ccc(Sc2ccccc2)cc1
Structure:
Search PDB for entries with ligand similarity: