| Reaction Details |
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 | Report a problem with these data |
| Target | Chymotrypsinogen A |
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| Ligand | BDBM50118029 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_49927 (CHEMBL664296) |
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| IC50 | 22.0±n/a nM |
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| Citation |  Macdonald, SJ; Dowle, MD; Harrison, LA; Clarke, GD; Inglis, GG; Johnson, MR; Shah, P; Smith, RA; Amour, A; Fleetwood, G; Humphreys, DC; Molloy, CR; Dixon, M; Godward, RE; Wonacott, AJ; Singh, OM; Hodgson, ST; Hardy, GW Discovery of further pyrrolidine trans-lactams as inhibitors of human neutrophil elastase (HNE) with potential as development candidates and the crystal structure of HNE complexed with an inhibitor (GW475151). J Med Chem45:3878-90 (2002) [PubMed] |
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| More Info.: | Get all data from this article, Assay Method |
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| Chymotrypsinogen A |
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| Name: | Chymotrypsinogen A |
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| Synonyms: | Alpha-chymotrypsin | CTRA_BOVIN | Chymotrypsin A | Chymotrypsin A chain A | Chymotrypsin A chain B | Chymotrypsin A chain C | Chymotrypsinogen A | alpha-Chymotrypsin (α-Chymotrypsin) |
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| Type: | Serine protease |
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| Mol. Mass.: | 25670.88 |
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| Organism: | Bos taurus (bovine) |
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| Description: | n/a |
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| Residue: | 245 |
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| Sequence: | CGVPAIQPVLSGLSRIVNGEEAVPGSWPWQVSLQDKTGFHFCGGSLINENWVVTAAHCGV
TTSDVVVAGEFDQGSSSEKIQKLKIAKVFKNSKYNSLTINNDITLLKLSTAASFSQTVSA
VCLPSASDDFAAGTTCVTTGWGLTRYTNANTPDRLQQASLPLLSNTNCKKYWGTKIKDAM
ICAGASGVSSCMGDSGGPLVCKKNGAWTLVGIVSWGSSTCSTSTPGVYARVTALVNWVQQ
TLAAN
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|
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| BDBM50118029 |
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| n/a |
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| Name | BDBM50118029 |
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| Synonyms: | 3-Isopropyl-1-methanesulfonyl-4-(4-piperidin-1-yl-but-2-enoyl)-hexahydro-pyrrolo[3,2-b]pyrrol-2-one; hydrochloride | CHEMBL2368616 |
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| Type | Small organic molecule |
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| Emp. Form. | C19H32ClN3O4S |
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| Mol. Mass. | 433.993 |
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| SMILES | Cl.[H][C@@]12CCN(C(=O)\C=C\CN3CCCCC3)[C@@]1([H])[C@H](C(C)C)C(=O)N2S(C)(=O)=O |r| |
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| Structure | 
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