Reaction Details Report a problem with these data
Target
Matrix metalloproteinase-14
Ligand
BDBM50102594
Substrate
n/a
Meas. Tech.
ChEMBL_106785 (CHEMBL718392)
Ki
94±n/a nM
Citation
Xue, CB; Voss, ME; Nelson, DJ; Duan, JJ; Cherney, RJ; Jacobson, IC; He, X; Roderick, J; Chen, L; Corbett, RL; Wang, L; Meyer, DT; Kennedy, K; DeGradodagger, WF; Hardman, KD; Teleha, CA; Jaffee, BD; Liu, RQ; Copeland, RA; Covington, MB; Christ, DD; Trzaskos, JM; Newton, RC; Magolda, RL; Wexler, RR; Decicco, CP Design, synthesis, and structure-activity relationships of macrocyclic hydroxamic acids that inhibit tumor necrosis factor alpha release in vitro and in vivo. J Med Chem 44:2636-60 (2001) [PubMed] Article
More Info.:
Target
Name:
Matrix metalloproteinase-14
Synonyms:
MMP-14 | MMP-X1 | MMP14 | MMP14_HUMAN | MT-MMP 1 | MT1-MMP | MT1MMP | MTMMP1 | Matrix Metalloproteinase-14 (MMP-14) | Matrix metalloproteinase 14 | Matrix metalloproteinase-14 | Matrix metalloproteinase-14 (MMP14) | Membrane-type matrix metalloproteinase 1 | Membrane-type-1 matrix metalloproteinase
Type:
Protein
Mol. Mass.:
65900.19
Organism:
Homo sapiens (Human)
Description:
P50281
Residue:
582
Sequence:
MSPAPRPPRCLLLPLLTLGTALASLGSAQSSSFSPEAWLQQYGYLPPGDLRTHTQRSPQSLSAAIAAMQKFYGLQVTGKADADTMKAMRRPRCGVPDKFGAEIKANVRRKRYAIQGLKWQHNEITFCIQNYTPKVGEYATYEAIRKAFRVWESATPLRFREVPYAYIREGHEKQADIMIFFAEGFHGDSTPFDGEGGFLAHAYFPGPNIGGDTHFDSAEPWTVRNEDLNGNDIFLVAVHELGHALGLEHSSDPSAIMAPFYQWMDTENFVLPDDDRRGIQQLYGGESGFPTKMPPQPRTTSRPSVPDKPKNPTYGPNICDGNFDTVAMLRGEMFVFKERWFWRVRNNQVMDGYPMPIGQFWRGLPASINTAYERKDGKFVFFKGDKHWVFDEASLEPGYPKHIKELGRGLPTDKIDAALFWMPNGKTYFFRGNKYYRFNEELRAVDSEYPKNIKVWEGIPESPRGSFMGSDEVFTYFYKGNKYWKFNNQKLKVEPGYPKSALRDWMGCPSGGRPDEGTEEETEVIIIEVDEEGGGAVSAAAVVLPVLLLLLVLAVGLAVFFFRRHGTPRRLLYCQRSLLDKV
Inhibitor
Name:
BDBM50102594
Synonyms:
7-Isobutyl-8-oxo-2-oxa-9-aza-bicyclo[10.2.2]hexadeca-1(15),12(16),13-triene-6,10-dicarboxylic acid 6-hydroxyamide 10-methylcarbamoylmethyl-amide(SL422) | CHEMBL88520
Type:
Small organic molecule
Emp. Form.:
C23H34N4O6
Mol. Mass.:
462.5393
SMILES:
CNC(=O)CNC(=O)[C@@H]1Cc2ccc(OCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)cc2