Reaction Details | |||
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Target | Collagenase 3 | ||
Ligand | BDBM50362091 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_798828 (CHEMBL1943704) | ||
IC50 | 40±n/a nM | ||
Citation | ![]() | ||
More Info.: | Get all data from this article, Assay Method | ||
Collagenase 3 | |||
Name: | Collagenase 3 | ||
Synonyms: | MMP-13 | MMP13 | MMP13_HUMAN | Matrix metalloproteinase-13 | Matrix metalloproteinase-13 (MMP-13) | Matrix metalloproteinase-13 (MMP13) | ||
Type: | Enzyme | ||
Mol. Mass.: | 53808.06 | ||
Organism: | Homo sapiens (Human) | ||
Description: | P45452 | ||
Residue: | 471 | ||
Sequence: |
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BDBM50362091 | |||
n/a | |||
Name | BDBM50362091 | ||
Synonyms: | CHEMBL1940315 | ||
Type | Small organic molecule | ||
Emp. Form. | C27H30N2O5S | ||
Mol. Mass. | 494.603 | ||
SMILES | O[C@]1(CN2CCC1CC2)C#Cc1ccc(Oc2ccc(cc2)C(=O)NC2CCCS(=O)(=O)C2)cc1 |r,wU:1.0,wD:1.10,(7.27,-37.19,;7.29,-35.67,;7.26,-34.14,;8.58,-33.36,;10.7,-33.79,;10.73,-35.96,;8.61,-36.41,;9.9,-35.63,;9.88,-34.12,;5.98,-36.45,;4.64,-37.21,;3.3,-37.97,;1.97,-37.19,;.63,-37.95,;.62,-39.49,;-.72,-40.25,;-2.05,-39.48,;-2.04,-37.94,;-3.36,-37.16,;-4.71,-37.93,;-4.71,-39.48,;-3.38,-40.25,;-6.04,-37.15,;-6.03,-35.61,;-7.38,-37.92,;-8.71,-37.14,;-8.7,-35.6,;-10.03,-34.82,;-11.37,-35.58,;-11.38,-37.13,;-12.16,-38.46,;-12.94,-37.12,;-10.05,-37.91,;1.96,-40.27,;3.29,-39.51,)| | ||
Structure | ![]() |