Reaction Details Report a problem with these data
Target
72 kDa type IV collagenase
Ligand
BDBM50203525
Substrate
n/a
Meas. Tech.
ChEMBL_425539 (CHEMBL911376)
IC50
>5000±n/a nM
Citation
Yao, W; Zhuo, J; Burns, DM; Xu, M; Zhang, C; Li, YL; Qian, DQ; He, C; Weng, L; Shi, E; Lin, Q; Agrios, C; Burn, TC; Caulder, E; Covington, MB; Fridman, JS; Friedman, S; Katiyar, K; Hollis, G; Li, Y; Liu, C; Liu, X; Marando, CA; Newton, R; Pan, M; Scherle, P; Taylor, N; Vaddi, K; Wasserman, ZR; Wynn, R; Yeleswaram, S; Jalluri, R; Bower, M; Zhou, BB; Metcalf, B Discovery of a potent, selective, and orally active human epidermal growth factor receptor-2 sheddase inhibitor for the treatment of cancer. J Med Chem 50:603-6 (2007) [PubMed] Article
More Info.:
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:
BDBM50203525
Synonyms:
(6S,7S)-N-hydroxy-6-[(5-methyl-4-phenyl-3,6-dihydropyridin-1(2H)-yl)carbonyl]-5-azaspiro[2.5]octane-7-carboxamide | CHEMBL218586
Type:
Small organic molecule
Emp. Form.:
C21H27N3O3
Mol. Mass.:
369.4574
SMILES:
CC1=C(CCN(C1)C(=O)[C@H]1NCC2(CC2)C[C@@H]1C(=O)NO)c1ccccc1 |t:1|