Reaction Details Report a problem with these data
Target
Stromelysin-1
Ligand
BDBM50343085
Substrate
n/a
Meas. Tech.
ChEMBL_744951 (CHEMBL1771910)
Ki
37±n/a nM
Citation
Barta, TE; Becker, DP; Bedell, LJ; Easton, AM; Hockerman, SL; Kiefer, J; Munie, GE; Mathis, KJ; Li, MH; Rico, JG; Villamil, CI; Williams, JM MMP-13 selectivea-sulfone hydroxamates: a survey of P1' heterocyclic amide isosteres. Bioorg Med Chem Lett 21:2820-2 (2011) [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:
BDBM50343085
Synonyms:
1-ethyl-N-hydroxy-4-(4-(3-(3-(4-(trifluoromethoxy)phenyl)-1,2,4-oxadiazol-5-yl)propoxy)phenylsulfonyl)piperidine-4-carboxamide | CHEMBL1771220
Type:
Small organic molecule
Emp. Form.:
C26H29F3N4O7S
Mol. Mass.:
598.591
SMILES:
CCN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(OCCCc2nc(no2)-c2ccc(OC(F)(F)F)cc2)cc1