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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | 72 kDa type IV collagenase | ||
| Ligand | BDBM50418824 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_798829 (CHEMBL1943705) | ||
| IC50 | 6310±n/a nM | ||
| Citation |  De Savi, C; Morley, AD; Nash, I; Karoutchi, G; Page, K; Ting, A; Gerhardt, S Lead optimisation of selective non-zinc binding inhibitors of MMP13. Part 2. Bioorg Med Chem Lett22:271-7 (2011) [PubMed] Article | ||
| 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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| BDBM50418824 | |||
| n/a | |||
| Name | BDBM50418824 | ||
| Synonyms: | CHEMBL1738748 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C28H27N3O3 | ||
| Mol. Mass. | 453.5323 | ||
| SMILES | O[C@]1(CN2CCC1CC2)C#Cc1ccc(Oc2ccc(cc2)C(=O)NCc2ccncc2)cc1 |r,wU:1.0,wD:1.10,THB:0:1:4.5:7.8,9:1:4.5:7.8,(1.3,.14,;.25,-.49,;1.76,-2.89,;-.88,-3.53,;.22,-2.89,;.22,-1.61,;-.88,-.99,;-1.96,-1.61,;-1.96,-2.89,;-1.09,.29,;-2.43,1.05,;-3.77,1.82,;-5.1,1.04,;-6.44,1.8,;-6.45,3.34,;-7.78,4.11,;-7.79,5.65,;-9.12,6.42,;-9.13,7.96,;-7.8,8.73,;-6.46,7.96,;-6.46,6.42,;-7.8,10.27,;-8.86,10.89,;-6.46,11.04,;-6.46,12.58,;-5.13,13.35,;-5.12,14.89,;-3.79,15.66,;-2.46,14.89,;-2.46,13.35,;-3.79,12.58,;-5.12,4.12,;-3.78,3.36,)| | ||
| Structure | 
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