Reaction Details |
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Target | Trypsin |
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Ligand | BDBM50035154 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1431880 (CHEMBL3386289) |
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IC50 | >100000±n/a nM |
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Citation | Ishihara, T; Koga, Y; Mori, K; Sugasawa, K; Iwatsuki, Y; Hirayama, F Novel strategy to boost oral anticoagulant activity of blood coagulation enzyme inhibitors based on biotransformation into hydrophilic conjugates. Bioorg Med Chem22:6324-32 (2014) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Trypsin |
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Name: | Trypsin |
Synonyms: | Serine protease 1/Trypsin-2/Trypsin-3 |
Type: | n/a |
Mol. Mass.: | n/a |
Description: | ASSAY_ID of ChEMBL is 2155713 |
Components: | This complex has 3 components. |
Component 1 |
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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Component 2 |
Name: | Trypsin-2 |
Synonyms: | Anionic trypsinogen | PRSS2 | Serine protease 2 | TRY2 | TRY2_HUMAN | TRYP2 | Thrombin & trypsin | Trypsin | Trypsin II | Trypsin-2 |
Type: | PROTEIN |
Mol. Mass.: | 26479.43 |
Organism: | Homo sapiens (Human) |
Description: | ChEMBL_41517 |
Residue: | 247 |
Sequence: | MNLLLILTFVAAAVAAPFDDDDKIVGGYICEENSVPYQVSLNSGYHFCGGSLISEQWVVS
AGHCYKSRIQVRLGEHNIEVLEGNEQFINAAKIIRHPKYNSRTLDNDILLIKLSSPAVIN
SRVSAISLPTAPPAAGTESLISGWGNTLSSGADYPDELQCLDAPVLSQAECEASYPGKIT
NNMFCVGFLEGGKDSCQGDSGGPVVSNGELQGIVSWGYGCAQKNRPGVYTKVYNYVDWIK
DTIAANS
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Component 3 |
Name: | Trypsin-3 |
Synonyms: | Brain trypsinogen | Mesotrypsinogen | PRSS3 | PRSS4 | Serine protease 3 | Serine protease 4 | TRY3 | TRY3_HUMAN | TRY4 | Thrombin & trypsin | Trypsin | Trypsin III | Trypsin IV | Trypsin-3 |
Type: | PROTEIN |
Mol. Mass.: | 32532.52 |
Organism: | Homo sapiens (Human) |
Description: | ChEMBL_216043 |
Residue: | 304 |
Sequence: | MCGPDDRCPARWPGPGRAVKCGKGLAAARPGRVERGGAQRGGAGLELHPLLGGRTWRAAR
DADGCEALGTVAVPFDDDDKIVGGYTCEENSLPYQVSLNSGSHFCGGSLISEQWVVSAAH
CYKTRIQVRLGEHNIKVLEGNEQFINAAKIIRHPKYNRDTLDNDIMLIKLSSPAVINARV
STISLPTTPPAAGTECLISGWGNTLSFGADYPDELKCLDAPVLTQAECKASYPGKITNSM
FCVGFLEGGKDSCQRDSGGPVVCNGQLQGVVSWGHGCAWKNRPGVYTKVYNYVDWIKDTI
AANS
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BDBM50035154 |
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n/a |
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Name | BDBM50035154 |
Synonyms: | CHEMBL3354240 |
Type | Small organic molecule |
Emp. Form. | C27H32BrClN4O9 |
Mol. Mass. | 671.921 |
SMILES | CC(C)N1CCC(CC1)C(=O)Nc1c(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)cc(Br)cc1C(=O)Nc1ccc(Cl)cn1 |r| |
Structure |
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