Reaction Details |
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Target | Serine protease 1 |
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Ligand | BDBM50123486 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_212685 (CHEMBL815470) |
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Ki | 61000±n/a nM |
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Citation | Burgey, CS; Robinson, KA; Lyle, TA; Sanderson, PE; Lewis, SD; Lucas, BJ; Krueger, JA; Singh, R; Miller-Stein, C; White, RB; Wong, B; Lyle, EA; Williams, PD; Coburn, CA; Dorsey, BD; Barrow, JC; Stranieri, MT; Holahan, MA; Sitko, GR; Cook, JJ; McMasters, DR; McDonough, CM; Sanders, WM; Wallace, AA; Clayton, FC; Bohn, D; Leonard, YM; Detwiler, TJ; Lynch, JJ; Yan, Y; Chen, Z; Kuo, L; Gardell, SJ; Shafer, JA; Vacca, JP Metabolism-directed optimization of 3-aminopyrazinone acetamide thrombin inhibitors. Development of an orally bioavailable series containing P1 and P3 pyridines. J Med Chem46:461-73 (2003) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Serine protease 1 |
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Name: | Serine protease 1 |
Synonyms: | Alpha-trypsin chain 1 | Alpha-trypsin chain 2 | Beta-trypsin | Cationic trypsinogen | PRSS1 | Serine protease 1 | TRP1 | TRY1 | TRY1_HUMAN | TRYP1 | Thrombin & trypsin | Trypsin | Trypsin I | Trypsin-1 |
Type: | Enzyme |
Mol. Mass.: | 26557.80 |
Organism: | Homo sapiens (Human) |
Description: | P07477 |
Residue: | 247 |
Sequence: | MNPLLILTFVAAALAAPFDDDDKIVGGYNCEENSVPYQVSLNSGYHFCGGSLINEQWVVS
AGHCYKSRIQVRLGEHNIEVLEGNEQFINAAKIIRHPQYDRKTLNNDIMLIKLSSRAVIN
ARVSTISLPTAPPATGTKCLISGWGNTASSGADYPDELQCLDAPVLSQAKCEASYPGKIT
SNMFCVGFLEGGKDSCQGDSGGPVVCNGQLQGVVSWGDGCAQKNKPGVYTKVYNYVKWIK
NTIAANS
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BDBM50123486 |
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n/a |
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Name | BDBM50123486 |
Synonyms: | 2-[6-Cyano-3-(2,2-difluoro-2-pyridin-2-yl-ethylamino)-2-oxo-2H-pyrazin-1-yl]-N-(3-fluoro-4-methyl-pyridin-2-ylmethyl)-acetamide | CHEMBL422299 |
Type | Small organic molecule |
Emp. Form. | C21H18F3N7O2 |
Mol. Mass. | 457.4085 |
SMILES | Cc1ccnc(CNC(=O)Cn2c(cnc(NCC(F)(F)c3ccccn3)c2=O)C#N)c1F |
Structure |
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