BDBM50071693 CHEMBL38927::CVS-1578::N-((S)-1-Carbamimidoyl-2-hydroxy-piperidin-3-yl)-2-((S)-2-oxo-3-phenylmethanesulfonylamino-piperidin-1-yl)-acetamide::N-(1-Carbamimidoyl-2-hydroxy-piperidin-3-yl)-2-(2-oxo-3-phenylmethanesulfonylamino-piperidin-1-yl)-acetamide
SMILES: NC(=N)N1CCC[C@H](NC(=O)CN2CCC[C@H](NS(=O)(=O)Cc3ccccc3)C2=O)C1O
InChI Key: InChIKey=SPUAEQJRVQHWKF-NRAVZPKASA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Prothrombin (Homo sapiens (Human)) | BDBM50071693 (CHEMBL38927 | CVS-1578 | N-((S)-1-Carbamimidoyl-2-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Corvas International, Inc. Curated by ChEMBL | Assay Description Evaluation of inhibition of transition state thrombin | Bioorg Med Chem Lett 9: 2625-8 (1999) BindingDB Entry DOI: 10.7270/Q2JW8D3W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tissue-type plasminogen activator (Homo sapiens (Human)) | BDBM50071693 (CHEMBL38927 | CVS-1578 | N-((S)-1-Carbamimidoyl-2-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | n/a | n/a | >2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibitory concentration of the compound required to inhibit human Tissue type plasminogen activator was determined | Bioorg Med Chem Lett 7: 1543-1548 (1997) Article DOI: 10.1016/S0960-894X(97)00258-8 BindingDB Entry DOI: 10.7270/Q2HD7VNX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Plasminogen (Homo sapiens (Human)) | BDBM50071693 (CHEMBL38927 | CVS-1578 | N-((S)-1-Carbamimidoyl-2-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Corvas International, Inc. Curated by ChEMBL | Assay Description In vitro inhibitory activity was evaluated against thrombolytic enzyme plasmin | Bioorg Med Chem Lett 8: 2501-6 (1999) BindingDB Entry DOI: 10.7270/Q28C9VCK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM50071693 (CHEMBL38927 | CVS-1578 | N-((S)-1-Carbamimidoyl-2-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 6.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Corvas International, Inc. Curated by ChEMBL | Assay Description In vitro inhibitory activity was evaluated against thrombin (FIIa) | Bioorg Med Chem Lett 8: 2501-6 (1999) BindingDB Entry DOI: 10.7270/Q28C9VCK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor X (Homo sapiens (Human)) | BDBM50071693 (CHEMBL38927 | CVS-1578 | N-((S)-1-Carbamimidoyl-2-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Corvas International, Inc. Curated by ChEMBL | Assay Description In vitro inhibitory activity of the compound was evaluated against Coagulation factor X | Bioorg Med Chem Lett 8: 3683-8 (1999) BindingDB Entry DOI: 10.7270/Q2ZP459T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Trypsin-1 (Homo sapiens (Human)) | BDBM50071693 (CHEMBL38927 | CVS-1578 | N-((S)-1-Carbamimidoyl-2-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.27E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Corvas International, Inc. Curated by ChEMBL | Assay Description In vitro inhibitory activity of the compound was evaluated against human trypsin | Bioorg Med Chem Lett 8: 3683-8 (1999) BindingDB Entry DOI: 10.7270/Q2ZP459T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Trypsin-1 (Homo sapiens (Human)) | BDBM50071693 (CHEMBL38927 | CVS-1578 | N-((S)-1-Carbamimidoyl-2-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | n/a | n/a | 791 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Compound was evaluated in vitro for the inhibitory concentration required to inhibit human serine protease enzyme human trypsin by 50% | Bioorg Med Chem Lett 7: 331-336 (1997) Article DOI: 10.1016/S0960-894X(97)00004-8 BindingDB Entry DOI: 10.7270/Q2Z03850 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor X (Homo sapiens (Human)) | BDBM50071693 (CHEMBL38927 | CVS-1578 | N-((S)-1-Carbamimidoyl-2-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | n/a | n/a | >2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Compound was evaluated in vitro for the inhibitory concentration required to inhibit Coagulation factor X by 50% | Bioorg Med Chem Lett 7: 331-336 (1997) Article DOI: 10.1016/S0960-894X(97)00004-8 BindingDB Entry DOI: 10.7270/Q2Z03850 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM50071693 (CHEMBL38927 | CVS-1578 | N-((S)-1-Carbamimidoyl-2-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | n/a | n/a | 6.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Compound was evaluated in vitro for the inhibitory concentration required to inhibit human serine protease enzyme thrombin (FIIa) by 50% | Bioorg Med Chem Lett 7: 331-336 (1997) Article DOI: 10.1016/S0960-894X(97)00004-8 BindingDB Entry DOI: 10.7270/Q2Z03850 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM50071693 (CHEMBL38927 | CVS-1578 | N-((S)-1-Carbamimidoyl-2-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | n/a | n/a | 6.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description The compound was tested in vitro for inhibitory activity against Coagulation factor II | Bioorg Med Chem Lett 7: 2421-2426 (1997) Article DOI: 10.1016/S0960-894X(97)00446-0 BindingDB Entry DOI: 10.7270/Q2X92B91 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor X (Homo sapiens (Human)) | BDBM50071693 (CHEMBL38927 | CVS-1578 | N-((S)-1-Carbamimidoyl-2-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | n/a | n/a | >2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description The compound was tested in vitro for inhibitory activity against Coagulation factor X | Bioorg Med Chem Lett 7: 2421-2426 (1997) Article DOI: 10.1016/S0960-894X(97)00446-0 BindingDB Entry DOI: 10.7270/Q2X92B91 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Trypsin-1 (Homo sapiens (Human)) | BDBM50071693 (CHEMBL38927 | CVS-1578 | N-((S)-1-Carbamimidoyl-2-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | n/a | n/a | 1.27E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description The compound was tested in vitro for inhibitory activity against human trypsin | Bioorg Med Chem Lett 7: 2421-2426 (1997) Article DOI: 10.1016/S0960-894X(97)00446-0 BindingDB Entry DOI: 10.7270/Q2X92B91 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Trypsin-1 (Homo sapiens (Human)) | BDBM50071693 (CHEMBL38927 | CVS-1578 | N-((S)-1-Carbamimidoyl-2-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | n/a | n/a | 791 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibitory concentration of the compound required to inhibit human trypsin enzyme was determined | Bioorg Med Chem Lett 7: 1543-1548 (1997) Article DOI: 10.1016/S0960-894X(97)00258-8 BindingDB Entry DOI: 10.7270/Q2HD7VNX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Plasminogen (Homo sapiens (Human)) | BDBM50071693 (CHEMBL38927 | CVS-1578 | N-((S)-1-Carbamimidoyl-2-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | n/a | n/a | >2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibitory concentration of the compound required to inhibit human plasmin enzyme was determined | Bioorg Med Chem Lett 7: 1543-1548 (1997) Article DOI: 10.1016/S0960-894X(97)00258-8 BindingDB Entry DOI: 10.7270/Q2HD7VNX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM50071693 (CHEMBL38927 | CVS-1578 | N-((S)-1-Carbamimidoyl-2-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | n/a | n/a | 6.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibitory concentration of the compound required to inhibit human thrombin enzyme was determined | Bioorg Med Chem Lett 7: 1543-1548 (1997) Article DOI: 10.1016/S0960-894X(97)00258-8 BindingDB Entry DOI: 10.7270/Q2HD7VNX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor X (Homo sapiens (Human)) | BDBM50071693 (CHEMBL38927 | CVS-1578 | N-((S)-1-Carbamimidoyl-2-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibitory concentration of the compound required to inhibit human factor Xa enzyme was determined | Bioorg Med Chem Lett 7: 1543-1548 (1997) Article DOI: 10.1016/S0960-894X(97)00258-8 BindingDB Entry DOI: 10.7270/Q2HD7VNX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Trypsin-1 (Homo sapiens (Human)) | BDBM50071693 (CHEMBL38927 | CVS-1578 | N-((S)-1-Carbamimidoyl-2-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 791 | n/a | n/a | n/a | n/a | n/a | n/a |
Corvas International, Inc. Curated by ChEMBL | Assay Description In vitro inhibitory activity was evaluated against human trypsin cleavage of the chromogenic substrate | Bioorg Med Chem Lett 8: 2501-6 (1999) BindingDB Entry DOI: 10.7270/Q28C9VCK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor X (Homo sapiens (Human)) | BDBM50071693 (CHEMBL38927 | CVS-1578 | N-((S)-1-Carbamimidoyl-2-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Corvas International, Inc. Curated by ChEMBL | Assay Description In vitro inhibitory activity was evaluated against thrombin factor Xa (FXa) | Bioorg Med Chem Lett 8: 2501-6 (1999) BindingDB Entry DOI: 10.7270/Q28C9VCK | |||||||||||
More data for this Ligand-Target Pair |