Reaction Details Report a problem with these data
Target
Matrix metalloproteinase-9
Ligand
BDBM50108143
Substrate
n/a
Meas. Tech.
ChEMBL_105522 (CHEMBL715231)
IC50
0.530000±n/a nM
Citation
Wada, CK; Holms, JH; Curtin, ML; Dai, Y; Florjancic, AS; Garland, RB; Guo, Y; Heyman, HR; Stacey, JR; Steinman, DH; Albert, DH; Bouska, JJ; Elmore, IN; Goodfellow, CL; Marcotte, PA; Tapang, P; Morgan, DW; Michaelides, MR; Davidsen, SK Phenoxyphenyl sulfone N-formylhydroxylamines (retrohydroxamates) as potent, selective, orally bioavailable matrix metalloproteinase inhibitors. J Med Chem 45:219-32 (2001) [PubMed] Article
More Info.:
Target
Name:
Matrix metalloproteinase-9
Synonyms:
67 kDa matrix metalloproteinase-9 | 82 kDa matrix metalloproteinase-9 | 92 kDa gelatinase | 92 kDa type IV collagenase | CLG4B | GELB | Gelatinase B | MMP-9 | MMP9 | MMP9_HUMAN | Matrix metalloproteinase 9 (MMP-9) | Matrix metalloproteinase-9 (MMP-9) | Matrix metalloproteinase-9 (MMP9)
Type:
Enzyme
Mol. Mass.:
78452.28
Organism:
Homo sapiens (Human)
Description:
P14780
Residue:
707
Sequence:
MSLWQPLVLVLLVLGCCFAAPRQRQSTLVLFPGDLRTNLTDRQLAEEYLYRYGYTRVAEMRGESKSLGPALLLLQKQLSLPETGELDSATLKAMRTPRCGVPDLGRFQTFEGDLKWHHHNITYWIQNYSEDLPRAVIDDAFARAFALWSAVTPLTFTRVYSRDADIVIQFGVAEHGDGYPFDGKDGLLAHAFPPGPGIQGDAHFDDDELWSLGKGVVVPTRFGNADGAACHFPFIFEGRSYSACTTDGRSDGLPWCSTTANYDTDDRFGFCPSERLYTQDGNADGKPCQFPFIFQGQSYSACTTDGRSDGYRWCATTANYDRDKLFGFCPTRADSTVMGGNSAGELCVFPFTFLGKEYSTCTSEGRGDGRLWCATTSNFDSDKKWGFCPDQGYSLFLVAAHEFGHALGLDHSSVPEALMYPMYRFTEGPPLHKDDVNGIRHLYGPRPEPEPRPPTTTTPQPTAPPTVCPTGPPTVHPSERPTAGPTGPPSAGPTGPPTAGPSTATTVPLSPVDDACNVNIFDAIAEIGNQLYLFKDGKYWRFSEGRGSRPQGPFLIADKWPALPRKLDSVFEERLSKKLFFFSGRQVWVYTGASVLGPRRLDKLGLGADVAQVTGALRSGRGKMLLFSGRRLWRFDVKAQMVDPRSASEVDRMFPGVPLDTHDVFQYREKAYFCQDRFYWRVSSRSELNQVDQVGYVTYDILQCPED
Inhibitor
Name:
BDBM50108143
Synonyms:
4-{3-(Formyl-hydroxy-amino)-4-[4-(4-trifluoromethoxy-phenoxy)-benzenesulfonyl]-butyl}-benzoic acid | CHEMBL78145
Type:
Small organic molecule
Emp. Form.:
C25H22F3NO8S
Mol. Mass.:
553.504
SMILES:
ON(C=O)C(CCc1ccc(cc1)C(O)=O)CS(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1