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Target
Collagenase 3
Ligand
BDBM50150246
Substrate
n/a
Meas. Tech.
ChEMBL_495051 (CHEMBL1003623)
IC50
20±n/a nM
Citation
 DasGupta, S; Murumkar, PR; Giridhar, R; Yadav, MR Current perspective of TACE inhibitors: a review. Bioorg Med Chem 17:444-59 (2009) [PubMed]  Article 
Target
Name:
Collagenase 3
Synonyms:
MMP-13 | Matrix metalloproteinase-13 | Matrix metalloproteinase-13 (MMP-13) | Matrix metalloproteinase-13 (MMP13) | MMP13_HUMAN | MMP13
Type:
Enzyme
Mol. Mass.:
53808.06
Organism:
Human
Description:
P45452
Residue:
471
Sequence:
MHPGVLAAFLFLSWTHCRALPLPSGGDEDDLSEEDLQFAERYLRSYYHPTNLAGILKENAASSMTERLREMQSFFGLEVTGKLDDNTLDVMKKPRCGVPDVGEYNVFPRTLKWSKMNLTYRIVNYTPDMTHSEVEKAFKKAFKVWSDVTPLNFTRLHDGIADIMISFGIKEHGDFYPFDGPSGLLAHAFPPGPNYGGDAHFDDDETWTSSSKGYNLFLVAAHEFGHSLGLDHSKDPGALMFPIYTYTGKSHFMLPDDDVQGIQSLYGPGDEDPNPKHPKTPDKCDPSLSLDAITSLRGETMIFKDRFFWRLHPQQVDAELFLTKSFWPELPNRIDAAYEHPSHDLIFIFRGRKFWALNGYDILEGYPKKISELGLPKEVKKISAAVHFEDTGKTLLFSGNQVWRYDDTNHIMDKDYPRLIEEDFPGIGDKVDAVYEKNGYIYFFNGPIQFEYSIWSNRIVRVMPANSILWC
  
Inhibitor
Name:
BDBM50150246
Synonyms:
1-acetyl-4-(4-(but-2-ynyloxy)phenylsulfonyl)-N-hydroxy-8-(hydroxymethyl)-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepine-3-carboxamide | 1-Acetyl-4-(4-but-2-ynyloxy-benzenesulfonyl)-8-hydroxymethyl-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepine-3-carboxylic acid hydroxyamide | CHEMBL183924
Type:
Small organic molecule
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
CC#CCOc1ccc(cc1)S(=O)(=O)N1Cc2ccc(CO)cc2N(CC1C(=O)NO)C(C)=O
Structure:
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