Reaction Details |
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Target | Collagenase 3 |
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Ligand | BDBM11867 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_440764 (CHEMBL889861) |
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IC50 | 1.1±n/a nM |
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Citation | Condon, JS; Joseph-McCarthy, D; Levin, JI; Lombart, HG; Lovering, FE; Sun, L; Wang, W; Xu, W; Zhang, Y Identification of potent and selective TACE inhibitors via the S1 pocket. Bioorg Med Chem Lett17:34-9 (2006) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Collagenase 3 |
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Name: | Collagenase 3 |
Synonyms: | MMP-13 | MMP13 | MMP13_HUMAN | Matrix metalloproteinase-13 | Matrix metalloproteinase-13 (MMP-13) | Matrix metalloproteinase-13 (MMP13) |
Type: | Enzyme |
Mol. Mass.: | 53808.06 |
Organism: | Homo sapiens (Human) |
Description: | P45452 |
Residue: | 471 |
Sequence: | MHPGVLAAFLFLSWTHCRALPLPSGGDEDDLSEEDLQFAERYLRSYYHPTNLAGILKENA
ASSMTERLREMQSFFGLEVTGKLDDNTLDVMKKPRCGVPDVGEYNVFPRTLKWSKMNLTY
RIVNYTPDMTHSEVEKAFKKAFKVWSDVTPLNFTRLHDGIADIMISFGIKEHGDFYPFDG
PSGLLAHAFPPGPNYGGDAHFDDDETWTSSSKGYNLFLVAAHEFGHSLGLDHSKDPGALM
FPIYTYTGKSHFMLPDDDVQGIQSLYGPGDEDPNPKHPKTPDKCDPSLSLDAITSLRGET
MIFKDRFFWRLHPQQVDAELFLTKSFWPELPNRIDAAYEHPSHDLIFIFRGRKFWALNGY
DILEGYPKKISELGLPKEVKKISAAVHFEDTGKTLLFSGNQVWRYDDTNHIMDKDYPRLI
EEDFPGIGDKVDAVYEKNGYIYFFNGPIQFEYSIWSNRIVRVMPANSILWC
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BDBM11867 |
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n/a |
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Name | BDBM11867 |
Synonyms: | CHEMBL234350 | N-Hydroxy-4-{[(4-phenoxyphenyl)sulfonyl]methyl}-1-(2-phenylethyl)piperidine-4-carboxamide Hydrochloride | N-hydroxy-4-{[(4-phenoxybenzene)sulfonyl]methyl}-1-(2-phenylethyl)piperidine-4-carboxamide hydrochloride | beta-sulfone 7d |
Type | Small organic molecule |
Emp. Form. | C27H30N2O5S |
Mol. Mass. | 494.603 |
SMILES | ONC(=O)C1(CS(=O)(=O)c2ccc(Oc3ccccc3)cc2)CCN(CCc2ccccc2)CC1 |
Structure |
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