Reaction Details |
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Target | Stromelysin-1 |
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Ligand | BDBM50142599 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1552496 (CHEMBL3761850) |
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Ki | >10000±n/a nM |
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Citation | Ruminski, PG; Massa, M; Strohbach, J; Hanau, CE; Schmidt, M; Scholten, JA; Fletcher, TR; Hamper, BC; Carroll, JN; Shieh, HS; Caspers, N; Collins, B; Grapperhaus, M; Palmquist, KE; Collins, J; Baldus, JE; Hitchcock, J; Kleine, HP; Rogers, MD; McDonald, J; Munie, GE; Messing, DM; Portolan, S; Whiteley, LO; Sunyer, T; Schnute, ME Discovery of N-(4-Fluoro-3-methoxybenzyl)-6-(2-(((2S,5R)-5-(hydroxymethyl)-1,4-dioxan-2-yl)methyl)-2H-tetrazol-5-yl)-2-methylpyrimidine-4-carboxamide. A Highly Selective and Orally Bioavailable Matrix Metalloproteinase-13 Inhibitor for the Potential Treatment of Osteoarthritis. J Med Chem59:313-27 (2016) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Stromelysin-1 |
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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: | MKSLPILLLLCVAVCSAYPLDGAARGEDTSMNLVQKYLENYYDLKKDVKQFVRRKDSGPV
VKKIREMQKFLGLEVTGKLDSDTLEVMRKPRCGVPDVGHFRTFPGIPKWRKTHLTYRIVN
YTPDLPKDAVDSAVEKALKVWEEVTPLTFSRLYEGEADIMISFAVREHGDFYPFDGPGNV
LAHAYAPGPGINGDAHFDDDEQWTKDTTGTNLFLVAAHEIGHSLGLFHSANTEALMYPLY
HSLTDLTRFRLSQDDINGIQSLYGPPPDSPETPLVPTEPVPPEPGTPANCDPALSFDAVS
TLRGEILIFKDRHFWRKSLRKLEPELHLISSFWPSLPSGVDAAYEVTSKDLVFIFKGNQF
WAIRGNEVRAGYPRGIHTLGFPPTVRKIDAAISDKEKNKTYFFVEDKYWRFDEKRNSMEP
GFPKQIAEDFPGIDSKIDAVFEEFGFFYFFTGSSQLEFDPNAKKVTHTLKSNSWLNC
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BDBM50142599 |
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n/a |
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Name | BDBM50142599 |
Synonyms: | CHEMBL3758726 |
Type | Small organic molecule |
Emp. Form. | C22H26N6O3 |
Mol. Mass. | 422.4802 |
SMILES | COc1cccc(CNC(=O)c2cc(cc(C)n2)-c2nnn(CC3CCCCO3)n2)c1 |
Structure |
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