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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Matrix metalloproteinase-9 | ||
| Ligand | BDBM50106664 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_105523 (CHEMBL715232) | ||
| IC50 | 35±n/a nM | ||
| Citation |  Rabinowitz, MH; Andrews, RC; Becherer, JD; Bickett, DM; Bubacz, DG; Conway, JG; Cowan, DJ; Gaul, M; Glennon, K; Lambert, MH; Leesnitzer, MA; McDougald, DL; Moss, ML; Musso, DL; Rizzolio, MC Design of selective and soluble inhibitors of tumor necrosis factor-alpha converting enzyme (TACE). J Med Chem44:4252-67 (2001) [PubMed] | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Matrix metalloproteinase-9 | |||
| Name: | Matrix metalloproteinase-9 | ||
| Synonyms: | 67 kDa matrix metalloproteinase-9 | 82 kDa matrix metalloproteinase-9 | 92 kDa gelatinase | 92 kDa type IV collagenase | CLG4B | GELB | Gelatinase B | MMP-9 | MMP9 | MMP9_HUMAN | Matrix metalloproteinase 9 (MMP-9) | Matrix metalloproteinase-9 (MMP-9) | Matrix metalloproteinase-9 (MMP9) | ||
| Type: | Enzyme | ||
| Mol. Mass.: | 78452.28 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | P14780 | ||
| Residue: | 707 | ||
| Sequence: |
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| BDBM50106664 | |||
| n/a | |||
| Name | BDBM50106664 | ||
| Synonyms: | (2R,3R)-N-{(1R)-4-Nitroguanyl-1-[(1,3-thiazol-2-ylamino)carbonyl]butyl}-3-[formyl(hydroxy)amino]-4-methyl-2-[(4-cyclohexylmethyl)methyl]-pentanamide | CHEMBL135251 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C24H40N8O6S | ||
| Mol. Mass. | 568.689 | ||
| SMILES | CC(C)[C@@H]([C@@H](CC1CCC(C)CC1)C(=O)N[C@@H](CCCN=C(N)N[N+]([O-])=O)C(=O)Nc1nccs1)N(O)C=O |w:20.20,wU:4.13,wD:3.36,16.16,(1.62,-19.44,;2.95,-18.67,;4.28,-19.44,;2.95,-17.13,;4.28,-16.36,;4.28,-14.82,;5.05,-13.49,;4.25,-12.16,;5.02,-10.81,;6.56,-10.79,;7.33,-9.46,;7.35,-12.13,;6.59,-13.47,;5.61,-17.13,;5.61,-18.67,;6.95,-16.36,;8.28,-17.13,;8.28,-18.67,;9.62,-19.44,;9.62,-20.98,;10.95,-21.75,;10.95,-23.29,;12.28,-24.06,;9.62,-24.06,;9.62,-25.6,;8.28,-26.37,;10.95,-26.37,;9.62,-16.36,;9.62,-14.82,;10.95,-17.13,;12.28,-16.36,;13.7,-16.97,;14.72,-15.84,;13.95,-14.5,;12.44,-14.82,;1.62,-16.36,;.29,-17.13,;1.62,-14.82,;2.95,-14.05,)| | ||
| Structure | 
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