| Reaction Details |
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 | Report a problem with these data |
| Target | Chymotrypsinogen A |
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| Ligand | BDBM50066999 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_49929 (CHEMBL660312) |
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| IC50 | 980.0±n/a nM |
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| Citation |  Macdonald, SJ; Belton, DJ; Buckley, DM; Spooner, JE; Anson, MS; Harrison, LA; Mills, K; Upton, RJ; Dowle, MD; Smith, RA; Molloy, CR; Risley, C Syntheses of trans-5-oxo-hexahydro-pyrrolo[3,2-b]pyrroles and trans-5-oxo-hexahydro-furo[3,2-b]pyrroles (pyrrolidine trans-lactams and trans-lactones): new pharmacophores for elastase inhibition. J Med Chem41:3919-22 (1998) [PubMed] Article |
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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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| BDBM50066999 |
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| n/a |
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| Name | BDBM50066999 |
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| Synonyms: | (S)-3,3-Diethyl-2-[4-(4-methyl-piperazine-1-carbonyl)-phenoxy]-4-oxo-azetidine-1-carboxylic acid ((R)-1-benzo[1,3]dioxol-5-yl-butyl)-amide | (S)-N-((R)-1-(benzo[d][1,3]dioxol-5-yl)butyl)-3,3-diethyl-2-(4-(1-methylpiperazine-4-carbonyl)phenoxy)-4-oxoazetidine-1-carboxamide | CHEMBL310871 | L-694458 |
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| Type | Small organic molecule |
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| Emp. Form. | C31H40N4O6 |
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| Mol. Mass. | 564.6725 |
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| SMILES | CCC[C@@H](NC(=O)N1[C@@H](Oc2ccc(cc2)C(=O)N2CCN(C)CC2)C(CC)(CC)C1=O)c1ccc2OCOc2c1 |r| |
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| Structure | 
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