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Target
Interstitial collagenase
Ligand
BDBM50246756
Substrate
n/a
Meas. Tech.
ChEMBL_557952 (CHEMBL963050)
IC50
440±n/a nM
Citation
 Ledour, G; Moroy, G; Rouffet, M; Bourguet, E; Guillaume, D; Decarme, M; Elmourabit, H; Augé, F; Alix, AJ; Laronze, JY; Bellon, G; Hornebeck, W; Sapi, J Introduction of the 4-(4-bromophenyl)benzenesulfonyl group to hydrazide analogs of Ilomastat leads to potent gelatinase B (MMP-9) inhibitors with improved selectivity. Bioorg Med Chem 16:8745-59 (2008) [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:
BDBM50246756
Synonyms:
CHEMBL502079 | N'-{3-(R)-[2-(S)-(1H-Indol-3-yl)-1-(methylcarbamoyl)-ethylcarbamoyl]-5-methylhexanoyl}-N-hexadecansulfonylhydrazide
Type:
Small organic molecule
Emp. Form.:
C36H61N5O5S
Mol. Mass.:
675.965
SMILES:
CCCCCCCCCCCCCCCCS(=O)(=O)NNC(=O)C[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC |r|
Structure:
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