| Reaction Details |
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 | Report a problem with these data |
| Target | Angiotensin-converting enzyme |
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| Ligand | BDBM50048512 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_34783 (CHEMBL646224) |
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| IC50 | 12±n/a nM |
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| Citation |  Robl, JA; Cimarusti, MP; Simpkins, LM; Brown, B; Ryono, DE; Bird, JE; Asaad, MM; Schaeffer, TR; Trippodo, NC Dual metalloprotease inhibitors. 6. Incorporation of bicyclic and substituted monocyclic azepinones as dipeptide surrogates in angiotensin-converting enzyme/neutral endopeptidase inhibitors. J Med Chem39:494-502 (1996) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Angiotensin-converting enzyme |
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| Name: | Angiotensin-converting enzyme |
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| Synonyms: | 3.2.1.- | 3.4.15.1 | ACE | ACE_RABIT | Angiotensin-converting enzyme, soluble form | CD_antigen=CD143 | DCP1 | Dipeptidyl carboxypeptidase I | Kininase II |
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| Type: | n/a |
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| Mol. Mass.: | 150405.15 |
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| Organism: | Oryctolagus cuniculus |
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| Description: | n/a |
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| Residue: | 1310 |
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| Sequence: | MGAAPGRRGPRLLRPPPPLLLLLLLLRPPPAALTLDPGLLPGDFAADEAGARLFASSYNS
SAEQVLFRSTAASWAHDTNITAENARRQEEEALLSQEFAEAWGKKAKELYDPVWQNFTDP
ELRRIIGAVRTLGPANLPLAKRQQYNSLLSNMSQIYSTGKVCFPNKTASCWSLDPDLNNI
LASSRSYAMLLFAWEGWHNAVGIPLKPLYQEFTALSNEAYRQDGFSDTGAYWRSWYDSPT
FEEDLERIYHQLEPLYLNLHAYVRRVLHRRYGDRYINLRGPIPAHLLGNMWAQSWESIYD
MVVPFPDKPNLDVTSTMVQKGWNATHMFRVAEEFFTSLGLLPMPPEFWAESMLEKPEDGR
EVVCHASAWDFYNRKDFRIKQCTQVTMDQLSTVHHEMGHVQYYLQYKDQPVSLRRANPGF
HEAIGDVLALSVSTPAHLHKIGLLDHVTNDTESDINYLLKMALEKIAFLPFGYLVDQWRW
GVFSGRTPSSRYNFDWWYLRTKYQGICPPVVRNETHFDAGAKFHIPSVTPYIRYFVSFVL
QFQFHQALCMEAGHQGPLHQCDIYQSTRAGAKLRAVLQAGCSRPWQEVLKDMVASDALDA
QPLLDYFQPVTQWLQEQNERNGEVLGWPEYQWRPPLPNNYPEGIDLVTDEAEASRFVEEY
DRSFQAVWNEYAEANWNYNTNITTEASKILLQKNMQIANHTLTYGNWARRFDVSNFQNAT
SKRIIKKVQDLQRAVLPVKELEEYNQILLDMETIYSVANVCRVDGSCLQLEPDLTNLMAT
SRKYDELLWVWTSWRDKVGRAILPYFPKYVEFTNKAARLNGYVDAGDSWRSMYETPTLEQ
DLERLFQELQPLYLNLHAYVGRALHRHYGAQHINLEGPIPAHLLGNMWAQTWSNIYDLVA
PFPSASTMDATEAMIKQGWTPRRMFEEADKFFISLGLLPVPPEFWNKSMLEKPTDGREVV
CHASAWDFYNGKDFRIKQCTTVNMEDLVVVHHEMGHIQYFMQYKDLPVALREGANPGFHE
AIGDVLALSVSTPKHLHSINLLSSEGGGYEHDINFLMKMALDKIAFIPFSYLVDEWRWRV
FDGSITKENYNQEWWSLRLKYQGLCPPAPRSQGDFDPGAKFHIPSSVPYIRYFVSFIIQF
QFHEALCKAAGHTGPLHTCDIYQSKEAGKRLADAMKLGYSKPWPEAMKVITGQPNMSASA
MMNYFKPLMDWLLTENGRHGEKLGWPQYTWTPNSARSEGSLPDSGRVNFLGMNLDAQQAR
VGQWVLLFLGVALLLASLGLTQRLFSIRYQSLRQPHHGPQFGSEVELRHS
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| BDBM50048512 |
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| n/a |
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| Name | BDBM50048512 |
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| Synonyms: | CHEMBL299639 | [(S)-3-((S)-2-Mercapto-3-phenyl-propionylamino)-2-oxo-2,3,4,5-tetrahydro-benzo[b]azepin-1-yl]-acetic acid | [3-((S)-2-Mercapto-3-(S)-phenyl-propionylamino)-2-oxo-2,3,4,5-tetrahydro-benzo[b]azepin-1-yl]-acetic acid |
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| Type | Small organic molecule |
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| Emp. Form. | C21H22N2O4S |
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| Mol. Mass. | 398.475 |
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| SMILES | OC(=O)CN1c2ccccc2CC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C1=O |
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| Structure | 
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