Reaction Details Report a problem with these data
Target
72 kDa type IV collagenase
Ligand
BDBM50096645
Substrate
n/a
Meas. Tech.
ChEBML_101908
IC50
32±n/a nM
Citation
 Michaelides, MR; Dellaria, JF; Gong, J; Holms, JH; Bouska, JJ; Stacey, J; Wada, CK; Heyman, HR; Curtin, ML; Guo, Y; Goodfellow, CL; Elmore, IB; Albert, DH; Magoc, TJ; Marcotte, PA; Morgan, DW; Davidsen, SK Biaryl ether retrohydroxamates as potent, long-lived, orally bioavailable MMP inhibitors. Bioorg Med Chem Lett 11:1553-6 (2001) [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:
BDBM50096645
Synonyms:
3-(4'-Cyano-biphenyl-4-yloxy)-N-hydroxy-propionamide | 3-(4'-cyanobiphenyl-4-yloxy)-N-hydroxypropanamide | 3-[(4'-cyanobiphenyl-4-yl)oxy]-N-hydroxypropanamide | CHEMBL38851
Type:
Small organic molecule
Emp. Form.:
C16H14N2O3
Mol. Mass.:
282.294
SMILES:
ONC(=O)CCOc1ccc(cc1)-c1ccc(cc1)C#N
Structure:
Search PDB for entries with ligand similarity: