Reaction Details Report a problem with these data
Target
72 kDa type IV collagenase
Ligand
BDBM50251877
Substrate
n/a
Meas. Tech.
ChEMBL_487545 (CHEMBL1013139)
IC50
297300±n/a nM
Citation
 Tu, G; Li, S; Huang, H; Li, G; Xiong, F; Mai, X; Zhu, H; Kuang, B; Xu, WF Novel aminopeptidase N inhibitors derived from 1,3,4-thiadiazole scaffold. Bioorg Med Chem 16:6663-8 (2008) [PubMed]  Article 
Target
Name:
72 kDa type IV collagenase
Synonyms:
72 kDa gelatinase | 72 kDa type IV collagenase precursor | CLG4A | Gelatinase A | Gelatinase A (MMP-2) | MMP2 | MMP2_HUMAN | Matrix metalloproteinase-2 | Matrix metalloproteinase-2 (MMP 2) | Matrix metalloproteinase-2 (MMP2) | Matrix metalloproteinases 2 (MMP-2) | TBE-1
Type:
Enzyme
Mol. Mass.:
73870.36
Organism:
Homo sapiens (Human)
Description:
P08253
Residue:
660
Sequence:
MEALMARGALTGPLRALCLLGCLLSHAAAAPSPIIKFPGDVAPKTDKELAVQYLNTFYGCPKESCNLFVLKDTLKKMQKFFGLPQTGDLDQNTIETMRKPRCGNPDVANYNFFPRKPKWDKNQITYRIIGYTPDLDPETVDDAFARAFQVWSDVTPLRFSRIHDGEADIMINFGRWEHGDGYPFDGKDGLLAHAFAPGTGVGGDSHFDDDELWTLGEGQVVRVKYGNADGEYCKFPFLFNGKEYNSCTDTGRSDGFLWCSTTYNFEKDGKYGFCPHEALFTMGGNAEGQPCKFPFRFQGTSYDSCTTEGRTDGYRWCGTTEDYDRDKKYGFCPETAMSTVGGNSEGAPCVFPFTFLGNKYESCTSAGRSDGKMWCATTANYDDDRKWGFCPDQGYSLFLVAAHEFGHAMGLEHSQDPGALMAPIYTYTKNFRLSQDDIKGIQELYGASPDIDLGTGPTPTLGPVTPEICKQDIVFDGIAQIRGEIFFFKDRFIWRTVTPRDKPMGPLLVATFWPELPEKIDAVYEAPQEEKAVFFAGNEYWIYSASTLERGYPKPLTSLGLPPDVQRVDAAFNWSKNKKTYIFAGDKFWRYNEVKKKMDPGFPKLIADAWNAIPDNLDAVVDLQGGGHSYFFKGAYYLKLENQSLKSVKFGSIKSDWLGC
  
Inhibitor
Name:
BDBM50251877
Synonyms:
(2R)-N-[5-(4-Nitrorophenyl)-1,3,4-thiadiazol-2-yl]-2-[(pmethoxycinnamoyl)amino]-propanamide | CHEMBL481704
Type:
Small organic molecule
Emp. Form.:
C21H19N5O5S
Mol. Mass.:
453.471
SMILES:
COc1ccc(\C=C\C(=O)N[C@H](C)C(=O)Nc2nnc(s2)-c2ccc(cc2)[N+]([O-])=O)cc1 |r|
Structure:
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