Reaction Details Report a problem with these data
Target
Stromelysin-1
Ligand
BDBM50241374
Substrate
n/a
Meas. Tech.
ChEMBL_104736 (CHEMBL710736)
Ki
4100±n/a nM
Citation
Jacobsen, EJ; Mitchell, MA; Hendges, SK; Belonga, KL; Skaletzky, LL; Stelzer, LS; Lindberg, TJ; Fritzen, EL; Schostarez, HJ; O'Sullivan, TJ; Maggiora, LL; Stuchly, CW; Laborde, AL; Kubicek, MF; Poorman, RA; Beck, JM; Miller, HR; Petzold, GL; Scott, PS; Truesdell, SE; Wallace, TL; Wilks, JW; Fisher, C; Goodman, LV; Kaytes, PS Synthesis of a series of stromelysin-selective thiadiazole urea matrix metalloproteinase inhibitors. J Med Chem 42:1525-36 (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:
BDBM50241374
Synonyms:
(S)-1-(3-cyclohexyl-1-(methylamino)-1-oxopropan-2-yl)-3-(5-thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)urea | (S)-3-Cyclohexyl-N-methyl-2-[3-(5-thioxo-4,5-dihydro-[1,3,4]thiadiazol-2-yl)-ureido]-propionamide | CHEMBL398703
Type:
Small organic molecule
Emp. Form.:
C13H21N5O2S2
Mol. Mass.:
343.468
SMILES:
CNC(=O)[C@H](CC1CCCCC1)NC(=O)Nc1nnc(S)s1