Reaction Details |
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Target | Collagenase 3 |
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Ligand | BDBM50395679 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_860058 (CHEMBL2167994) |
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IC50 | >25000±n/a nM |
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Citation | Deng, H; O'Keefe, H; Davie, CP; Lind, KE; Acharya, RA; Franklin, GJ; Larkin, J; Matico, R; Neeb, M; Thompson, MM; Lohr, T; Gross, JW; Centrella, PA; O'Donovan, GK; Bedard, KL; van Vloten, K; Mataruse, S; Skinner, SR; Belyanskaya, SL; Carpenter, TY; Shearer, TW; Clark, MA; Cuozzo, JW; Arico-Muendel, CC; Morgan, BA Discovery of highly potent and selective small molecule ADAMTS-5 inhibitors that inhibit human cartilage degradation via encoded library technology (ELT). J Med Chem55:7061-79 (2012) [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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BDBM50395679 |
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n/a |
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Name | BDBM50395679 |
Synonyms: | CHEMBL2164121 |
Type | Small organic molecule |
Emp. Form. | C29H36N8O2S3 |
Mol. Mass. | 624.844 |
SMILES | CCCc1ccc(cc1)S(=O)(=O)NC[C@H]1CCCN1c1nc(NCCC=C)nc(NCc2csc(n2)-c2cccs2)n1 |r| |
Structure |
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