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Target
Collagenase 3
Ligand
BDBM50361624
Substrate
n/a
Meas. Tech.
ChEMBL_799144 (CHEMBL1942128)
IC50
220000±n/a nM
Citation
 Taylor, SJ; Abeywardane, A; Liang, S; Muegge, I; Padyana, AK; Xiong, Z; Hill-Drzewi, M; Farmer, B; Li, X; Collins, B; Li, JX; Heim-Riether, A; Proudfoot, J; Zhang, Q; Goldberg, D; Zuvela-Jelaska, L; Zaher, H; Li, J; Farrow, NA Fragment-based discovery of indole inhibitors of matrix metalloproteinase-13. J Med Chem 54:8174-87 (2011) [PubMed]  Article
Target
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:
MHPGVLAAFLFLSWTHCRALPLPSGGDEDDLSEEDLQFAERYLRSYYHPTNLAGILKENAASSMTERLREMQSFFGLEVTGKLDDNTLDVMKKPRCGVPDVGEYNVFPRTLKWSKMNLTYRIVNYTPDMTHSEVEKAFKKAFKVWSDVTPLNFTRLHDGIADIMISFGIKEHGDFYPFDGPSGLLAHAFPPGPNYGGDAHFDDDETWTSSSKGYNLFLVAAHEFGHSLGLDHSKDPGALMFPIYTYTGKSHFMLPDDDVQGIQSLYGPGDEDPNPKHPKTPDKCDPSLSLDAITSLRGETMIFKDRFFWRLHPQQVDAELFLTKSFWPELPNRIDAAYEHPSHDLIFIFRGRKFWALNGYDILEGYPKKISELGLPKEVKKISAAVHFEDTGKTLLFSGNQVWRYDDTNHIMDKDYPRLIEEDFPGIGDKVDAVYEKNGYIYFFNGPIQFEYSIWSNRIVRVMPANSILWC
  
Inhibitor
Name:
BDBM50361624
Synonyms:
CHEMBL1939866
Type:
Small organic molecule
Emp. Form.:
C13H13N3O2
Mol. Mass.:
243.2612
SMILES:
CC(=O)Nc1ccc2[nH]c(cc2c1)C1=NCCO1 |t:15|
Structure:
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