Reaction Details |
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Target | Angiotensin-converting enzyme |
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Ligand | BDBM50497563 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1440777 (CHEMBL3382590) |
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IC50 | 409±n/a nM |
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Citation | Kumbhare, RM; Kosurkar, UB; Bagul, PK; Kanwal, A; Appalanaidu, K; Dadmal, TL; Banerjee, SK Synthesis and evaluation of novel triazoles and mannich bases functionalized 1,4-dihydropyridine as angiotensin converting enzyme (ACE) inhibitors. Bioorg Med Chem22:5824-30 (2014) [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 |
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 |
Type: | n/a |
Mol. Mass.: | 150405.15 |
Organism: | Oryctolagus cuniculus |
Description: | n/a |
Residue: | 1310 |
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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BDBM50497563 |
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n/a |
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Name | BDBM50497563 |
Synonyms: | CHEMBL3344094 |
Type | Small organic molecule |
Emp. Form. | C28H30F3N7O7S |
Mol. Mass. | 665.641 |
SMILES | CCOC(=O)C1=C(C)NC(C)=C(C1c1cccc(OC)c1OCc1cn(CC(=O)Nc2nnc(s2)C(F)(F)F)nn1)C(=O)OCC |c:5,10| |
Structure |
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