Reaction Details |
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Target | Gastricsin |
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Ligand | BDBM50427564 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_941699 (CHEMBL2330922) |
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IC50 | >30000±n/a nM |
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Citation | Lorthiois, E; Breitenstein, W; Cumin, F; Ehrhardt, C; Francotte, E; Jacoby, E; Ostermann, N; Sellner, H; Kosaka, T; Webb, RL; Rigel, DF; Hassiepen, U; Richert, P; Wagner, T; Maibaum, J The discovery of novel potent trans-3,4-disubstituted pyrrolidine inhibitors of the human aspartic protease renin from in silico three-dimensional (3D) pharmacophore searches. J Med Chem56:2207-17 (2013) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Gastricsin |
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Name: | Gastricsin |
Synonyms: | Gastricsin | PEPC_HUMAN | PGC | Pepsinogen C |
Type: | PROTEIN |
Mol. Mass.: | 42409.17 |
Organism: | Homo sapiens (Human) |
Description: | ChEMBL_1452207 |
Residue: | 388 |
Sequence: | MKWMVVVLVCLQLLEAAVVKVPLKKFKSIRETMKEKGLLGEFLRTHKYDPAWKYRFGDLS
VTYEPMAYMDAAYFGEISIGTPPQNFLVLFDTGSSNLWVPSVYCQSQACTSHSRFNPSES
STYSTNGQTFSLQYGSGSLTGFFGYDTLTVQSIQVPNQEFGLSENEPGTNFVYAQFDGIM
GLAYPALSVDEATTAMQGMVQEGALTSPVFSVYLSNQQGSSGGAVVFGGVDSSLYTGQIY
WAPVTQELYWQIGIEEFLIGGQASGWCSEGCQAIVDTGTSLLTVPQQYMSALLQATGAQE
DEYGQFLVNCNSIQNLPSLTFIINGVEFPLPPSSYILSNNGYCTVGVEPTYLSSQNGQPL
WILGDVFLRSYYSVYDLGNNRVGFATAA
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BDBM50427564 |
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n/a |
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Name | BDBM50427564 |
Synonyms: | CHEMBL2322611 |
Type | Small organic molecule |
Emp. Form. | C27H38N2O4 |
Mol. Mass. | 454.6016 |
SMILES | COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1Cc1ccccc1)C(C)C |r| |
Structure |
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