| Reaction Details |
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 | Report a problem with these data |
| Target | Serine protease hepsin |
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| Ligand | BDBM50272184 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1712213 (CHEMBL4122262) |
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| IC50 | 100±n/a nM |
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| Citation |  Pant, SM; Mukonoweshuro, A; Desai, B; Ramjee, MK; Selway, CN; Tarver, GJ; Wright, AG; Birchall, K; Chapman, TM; Tervonen, TA; Klefström, J Design, Synthesis, and Testing of Potent, Selective Hepsin Inhibitors via Application of an Automated Closed-Loop Optimization Platform. J Med Chem61:4335-4347 (2018) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Serine protease hepsin |
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| Name: | Serine protease hepsin |
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| Synonyms: | HEPS_HUMAN | HPN | Hepsin | Serine protease hepsin | TMPRSS1 | Transmembrane protease serine 11E | Transmembrane protease, serine 1 |
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| Type: | Enzyme |
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| Mol. Mass.: | 45016.98 |
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| Organism: | Homo sapiens (Human) |
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| Description: | Human deglycosylated hepsin was expressed in Pichia pastoris. |
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| Residue: | 417 |
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| Sequence: | MAQKEGGRTVPCCSRPKVAALTAGTLLLLTAIGAASWAIVAVLLRSDQEPLYPVQVSSAD
ARLMVFDKTEGTWRLLCSSRSNARVAGLSCEEMGFLRALTHSELDVRTAGANGTSGFFCV
DEGRLPHTQRLLEVISVCDCPRGRFLAAICQDCGRRKLPVDRIVGGRDTSLGRWPWQVSL
RYDGAHLCGGSLLSGDWVLTAAHCFPERNRVLSRWRVFAGAVAQASPHGLQLGVQAVVYH
GGYLPFRDPNSEENSNDIALVHLSSPLPLTEYIQPVCLPAAGQALVDGKICTVTGWGNTQ
YYGQQAGVLQEARVPIISNDVCNGADFYGNQIKPKMFCAGYPEGGIDACQGDSGGPFVCE
DSISRTPRWRLCGIVSWGTGCALAQKPGVYTKVSDFREWIFQAIKTHSEASGMVTQL
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| BDBM50272184 |
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| n/a |
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| Name | BDBM50272184 |
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| Synonyms: | CHEMBL4126579 |
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| Type | Small organic molecule |
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| Emp. Form. | C21H25ClN4O3S |
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| Mol. Mass. | 448.966 |
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| SMILES | NC(=N)c1ccc(NC(=O)[C@H](NS(=O)(=O)c2ccc(Cl)cc2)C2CCCCC2)cc1 |r| |
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| Structure | 
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