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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | 72 kDa type IV collagenase | ||
| Ligand | BDBM50101735 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEBML_104370 | ||
| IC50 | 12±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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| BDBM50101735 | |||
| n/a | |||
| Name | BDBM50101735 | ||
| Synonyms: | ((S)-4'-Methoxy-biphenyl-4-sulfonylamino)-(4-phenylamino-cyclohexyl)-acetic acid | CHEMBL418639 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C27H30N2O5S | ||
| Mol. Mass. | 494.603 | ||
| SMILES | COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@H](C1CCC(CC1)Nc1ccccc1)C(O)=O |wD:18.19,(17.51,2.31,;16.17,3.08,;14.84,2.31,;13.49,3.07,;12.18,2.29,;12.19,.76,;13.52,-.01,;14.85,.76,;10.86,-.02,;10.86,-1.56,;9.52,-2.33,;8.19,-1.56,;8.19,-.02,;9.52,.75,;6.86,-2.33,;7.94,-3.43,;5.76,-3.43,;5.51,-1.56,;4.18,-2.33,;4.18,-3.87,;5.51,-4.63,;5.51,-6.17,;4.18,-6.94,;2.85,-6.17,;2.85,-4.64,;4.18,-8.48,;5.51,-9.26,;6.84,-8.49,;8.17,-9.25,;8.17,-10.8,;6.82,-11.57,;5.49,-10.8,;2.85,-1.56,;1.52,-2.33,;2.85,-.02,)| | ||
| Structure | 
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