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Target
Interstitial collagenase
Ligand
BDBM50341813
Substrate
n/a
Meas. Tech.
ChEMBL_743596 (CHEMBL1768096)
IC50
>10000±n/a nM
Citation
 Shiozaki, M; Maeda, K; Miura, T; Kotoku, M; Yamasaki, T; Matsuda, I; Aoki, K; Yasue, K; Imai, H; Ubukata, M; Suma, A; Yokota, M; Hotta, T; Tanaka, M; Hase, Y; Haas, J; Fryer, AM; Laird, ER; Littmann, NM; Andrews, SW; Josey, JA; Mimura, T; Shinozaki, Y; Yoshiuchi, H; Inaba, T Discovery of (1S,2R,3R)-2,3-dimethyl-2-phenyl-1-sulfamidocyclopropanecarboxylates: novel and highly selective aggrecanase inhibitors. J Med Chem 54:2839-63 (2011) [PubMed]  Article
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:
BDBM50341813
Synonyms:
(1S,2R,3R)-2,3-Dimethyl-1-(7-fluoro-1,2,3,4-tetrahydropyrido[3',4':3,4]pyrazolo[1,5-a]pyridine-2-sulfonylamino)-2-phenylcyclopropanecarboxylic Acid | CHEMBL1767015
Type:
Small organic molecule
Emp. Form.:
C22H23FN4O4S
Mol. Mass.:
458.506
SMILES:
C[C@@H]1[C@](C)(c2ccccc2)[C@]1(NS(=O)(=O)N1CCc2c(C1)nn1cc(F)ccc21)C(O)=O |r|
Structure:
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