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Target
Collagenase 3
Ligand
BDBM50361632
Substrate
n/a
Meas. Tech.
ChEMBL_799149 (CHEMBL1942133)
IC50
360±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:
BDBM50361632
Synonyms:
CHEMBL1939874 | US8785489, ethyl 5-{1-methyl-3-[(pyridin-4-ylmethyl)carbamoyl]-1H-pyrazol-5-yl}-1H-indole-2-carboxylate
Type:
Small organic molecule
Emp. Form.:
C22H21N5O3
Mol. Mass.:
403.4338
SMILES:
CCOC(=O)c1cc2cc(ccc2[nH]1)-c1cc(nn1C)C(=O)NCc1ccncc1
Structure:
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