Reaction Details |
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Target | Matrix metalloproteinase-9 |
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Ligand | BDBM11868 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_461866 (CHEMBL927859) |
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IC50 | <1.5±n/a nM |
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Citation | Burns, DM; He, C; Li, Y; Scherle, P; Liu, X; Marando, CA; Covington, MB; Yang, G; Pan, M; Turner, S; Fridman, JS; Hollis, G; Vaddi, K; Yeleswaram, S; Newton, R; Friedman, S; Metcalf, B; Yao, W Conversion of an MMP-potent scaffold to an MMP-selective HER-2 sheddase inhibitor via scaffold hybridization and subtle P1' permutations. Bioorg Med Chem Lett18:560-4 (2008) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Matrix metalloproteinase-9 |
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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: | MSLWQPLVLVLLVLGCCFAAPRQRQSTLVLFPGDLRTNLTDRQLAEEYLYRYGYTRVAEM
RGESKSLGPALLLLQKQLSLPETGELDSATLKAMRTPRCGVPDLGRFQTFEGDLKWHHHN
ITYWIQNYSEDLPRAVIDDAFARAFALWSAVTPLTFTRVYSRDADIVIQFGVAEHGDGYP
FDGKDGLLAHAFPPGPGIQGDAHFDDDELWSLGKGVVVPTRFGNADGAACHFPFIFEGRS
YSACTTDGRSDGLPWCSTTANYDTDDRFGFCPSERLYTQDGNADGKPCQFPFIFQGQSYS
ACTTDGRSDGYRWCATTANYDRDKLFGFCPTRADSTVMGGNSAGELCVFPFTFLGKEYST
CTSEGRGDGRLWCATTSNFDSDKKWGFCPDQGYSLFLVAAHEFGHALGLDHSSVPEALMY
PMYRFTEGPPLHKDDVNGIRHLYGPRPEPEPRPPTTTTPQPTAPPTVCPTGPPTVHPSER
PTAGPTGPPSAGPTGPPTAGPSTATTVPLSPVDDACNVNIFDAIAEIGNQLYLFKDGKYW
RFSEGRGSRPQGPFLIADKWPALPRKLDSVFEERLSKKLFFFSGRQVWVYTGASVLGPRR
LDKLGLGADVAQVTGALRSGRGKMLLFSGRRLWRFDVKAQMVDPRSASEVDRMFPGVPLD
THDVFQYREKAYFCQDRFYWRVSSRSELNQVDQVGYVTYDILQCPED
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BDBM11868 |
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n/a |
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Name | BDBM11868 |
Synonyms: | CHEMBL256157 | N-Hydroxy-4-{[(4-phenoxyphenyl)sulfonyl]methyl}-1-prop-2-ynylpiperidine-4-carboxamide Hydrochloride | N-hydroxy-4-{[(4-phenoxybenzene)sulfonyl]methyl}-1-(prop-2-yn-1-yl)piperidine-4-carboxamide hydrochloride | beta-sulfone 7e |
Type | Small organic molecule |
Emp. Form. | C22H24N2O5S |
Mol. Mass. | 428.501 |
SMILES | ONC(=O)C1(CS(=O)(=O)c2ccc(Oc3ccccc3)cc2)CCN(CC#C)CC1 |
Structure |
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