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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | 72 kDa type IV collagenase | ||
| Ligand | BDBM50101729 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEBML_104370 | ||
| IC50 | 1±n/a nM | ||
| Citation |  Tullis, JS; Laufersweiler, MJ; VanRens, JC; Natchus, MG; Bookland, RG; Almstead, NG; Pikul, S; De, B; Hsieh, LC; Janusz, MJ; Branch, TM; Peng, SX; Jin, YY; Hudlicky, T; Oppong, K The development of new carboxylic acid-based MMP inhibitors derived from a cyclohexylglycine scaffold. Bioorg Med Chem Lett11:1975-9 (2001) [PubMed] | ||
| More Info.: | Get all data from this article, Assay Method | ||
| 72 kDa type IV collagenase | |||
| Name: | 72 kDa type IV collagenase | ||
| Synonyms: | 72 kDa gelatinase | 72 kDa type IV collagenase precursor | CLG4A | Gelatinase A | Gelatinase A (MMP-2) | MMP2 | MMP2_HUMAN | Matrix metalloproteinase-2 | Matrix metalloproteinase-2 (MMP 2) | Matrix metalloproteinase-2 (MMP2) | Matrix metalloproteinases 2 (MMP-2) | TBE-1 | ||
| Type: | Enzyme | ||
| Mol. Mass.: | 73870.36 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | P08253 | ||
| Residue: | 660 | ||
| Sequence: |
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| BDBM50101729 | |||
| n/a | |||
| Name | BDBM50101729 | ||
| Synonyms: | ((S)-4'-Methoxy-biphenyl-4-sulfonylamino)-[4-(2-oxo-imidazolidin-1-yl)-cyclohexyl]-acetic acid | CHEMBL293411 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C24H29N3O6S | ||
| Mol. Mass. | 487.569 | ||
| SMILES | COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@H](C1CCC(CC1)N1CCNC1=O)C(O)=O |wD:18.19,(18.85,2.12,;17.51,2.89,;16.18,2.12,;14.84,2.86,;13.52,2.09,;13.53,.55,;14.86,-.22,;16.19,.55,;12.2,-.22,;12.2,-1.76,;10.86,-2.53,;9.53,-1.76,;9.53,-.22,;10.86,.55,;8.2,-2.53,;7.1,-3.62,;9.29,-3.62,;6.86,-1.76,;5.51,-2.53,;5.53,-4.07,;6.86,-4.84,;6.84,-6.38,;5.51,-7.15,;4.18,-6.38,;4.18,-4.84,;5.51,-8.69,;6.77,-9.6,;6.28,-11.07,;4.74,-11.04,;4.28,-9.6,;2.81,-9.11,;4.18,-1.76,;2.85,-2.53,;4.18,-.22,)| | ||
| Structure | 
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