| Reaction Details |
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 | Report a problem with these data |
| Target | Collagenase 3 |
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| Ligand | BDBM50606390 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2254621 (CHEMBL5168831) |
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| IC50 | 364±n/a nM |
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| Citation |  Takeuchi, T; Hayashi, M; Tamita, T; Nomura, Y; Kojima, N; Mitani, A; Takeda, T; Hitaka, K; Kato, Y; Kamitani, M; Mima, M; Toki, H; Ohkubo, M; Nozoe, A; Kakinuma, H Discovery of Aryloxyphenyl-Heptapeptide Hybrids as Potent and Selective Matrix Metalloproteinase-2 Inhibitors for the Treatment of Idiopathic Pulmonary Fibrosis. J Med Chem65:8493-8510 (2022) [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 |
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| Synonyms: | MMP-13 | MMP13 | MMP13_HUMAN | Matrix metalloproteinase-13 | Matrix metalloproteinase-13 (MMP-13) | Matrix metalloproteinase-13 (MMP13) |
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| Type: | Enzyme |
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| Mol. Mass.: | 53808.06 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P45452 |
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| Residue: | 471 |
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| Sequence: | MHPGVLAAFLFLSWTHCRALPLPSGGDEDDLSEEDLQFAERYLRSYYHPTNLAGILKENA
ASSMTERLREMQSFFGLEVTGKLDDNTLDVMKKPRCGVPDVGEYNVFPRTLKWSKMNLTY
RIVNYTPDMTHSEVEKAFKKAFKVWSDVTPLNFTRLHDGIADIMISFGIKEHGDFYPFDG
PSGLLAHAFPPGPNYGGDAHFDDDETWTSSSKGYNLFLVAAHEFGHSLGLDHSKDPGALM
FPIYTYTGKSHFMLPDDDVQGIQSLYGPGDEDPNPKHPKTPDKCDPSLSLDAITSLRGET
MIFKDRFFWRLHPQQVDAELFLTKSFWPELPNRIDAAYEHPSHDLIFIFRGRKFWALNGY
DILEGYPKKISELGLPKEVKKISAAVHFEDTGKTLLFSGNQVWRYDDTNHIMDKDYPRLI
EEDFPGIGDKVDAVYEKNGYIYFFNGPIQFEYSIWSNRIVRVMPANSILWC
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| BDBM50606390 |
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| n/a |
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| Name | BDBM50606390 |
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| Synonyms: | CHEMBL5185612 |
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| Type | Small organic molecule |
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| Emp. Form. | C46H66N10O15S |
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| Mol. Mass. | 1031.139 |
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| SMILES | CC(C)C[C@H](NC(=O)[C@H](CCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)N(C)[C@@H](CCC(O)=O)C(=O)N1CCC[C@H]1CC(N)=O |r| |
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| Structure | 
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