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Target
Collagenase 3
Ligand
BDBM50363129
Substrate
n/a
Meas. Tech.
ChEMBL_800776 (CHEMBL1948223)
IC50
40±n/a nM
Citation
 Schrigten, D; Breyholz, HJ; Wagner, S; Hermann, S; Schober, O; Schäfers, M; Haufe, G; Kopka, K A new generation of radiofluorinated pyrimidine-2,4,6-triones as MMP-targeted radiotracers for positron emission tomography. J Med Chem 55:223-32 (2012) [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:
BDBM50363129
Synonyms:
CHEMBL1946277
Type:
Small organic molecule
Emp. Form.:
C39H47FN8O8
Mol. Mass.:
774.8377
SMILES:
Fc1ncccc1OCCCCc1cn(CCOCCOCCOCCN2CCN(CC2)C2(C(=O)NC(=O)NC2=O)c2ccc(Oc3ccccc3)cc2)nn1
Structure:
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