Reaction Details Report a problem with these data
Target
Interstitial collagenase
Ligand
BDBM50168748
Substrate
n/a
Meas. Tech.
ChEMBL_304617 (CHEMBL828503)
IC50
420±n/a nM
Citation
Noe, MC; Natarajan, V; Snow, SL; Wolf-Gouveia, LA; Mitchell, PG; Lopresti-Morrow, L; Reeves, LM; Yocum, SA; Otterness, I; Bliven, MA; Carty, TJ; Barberia, JT; Sweeney, FJ; Liras, JL; Vaughn, M Discovery of 3-OH-3-methylpipecolic hydroxamates: potent orally active inhibitors of aggrecanase and MMP-13. Bioorg Med Chem Lett 15:3385-8 (2005) [PubMed] Article
More Info.:
Target
Name:
Interstitial collagenase
Synonyms:
CLG | Fibroblast collagenase | MMP1 | MMP1_HUMAN | Matrix metalloproteinase-1 | Matrix metalloproteinase-1 (MMP-1)
Type:
Enzyme
Mol. Mass.:
54010.26
Organism:
Homo sapiens (Human)
Description:
P03956
Residue:
469
Sequence:
MHSFPPLLLLLFWGVVSHSFPATLETQEQDVDLVQKYLEKYYNLKNDGRQVEKRRNSGPVVEKLKQMQEFFGLKVTGKPDAETLKVMKQPRCGVPDVAQFVLTEGNPRWEQTHLTYRIENYTPDLPRADVDHAIEKAFQLWSNVTPLTFTKVSEGQADIMISFVRGDHRDNSPFDGPGGNLAHAFQPGPGIGGDAHFDEDERWTNNFREYNLHRVAAHELGHSLGLSHSTDIGALMYPSYTFSGDVQLAQDDIDGIQAIYGRSQNPVQPIGPQTPKACDSKLTFDAITTIRGEVMFFKDRFYMRTNPFYPEVELNFISVFWPQLPNGLEAAYEFADRDEVRFFKGNKYWAVQGQNVLHGYPKDIYSSFGFPRTVKHIDAALSEENTGKTYFFVANKYWRYDEYKRSMDPGYPKMIAHDFPGIGHKVDAVFMKDGFFYFFHGTRQYKFDPKTKRILTLQKANSWFNCRKN
Inhibitor
Name:
BDBM50168748
Synonyms:
(2R,3R)-1-[4-(4-Fluoro-benzyloxy)-benzenesulfonyl]-3-hydroxy-3-methyl-piperidine-2-carboxylic acid hydroxyamide | CHEMBL183995
Type:
Small organic molecule
Emp. Form.:
C20H23FN2O6S
Mol. Mass.:
438.47
SMILES:
C[C@@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2ccc(F)cc2)cc1