BDBM50080895 CHEMBL311198::N-[(S)-1-(1-Carbamimidoyl-piperidin-3-ylmethyl)-2-oxo-2-thiazol-2-yl-ethyl]-2-[(S)-2-naphthalen-2-ylmethyl-3,6-dioxo-4-(3-phenyl-propyl)-piperazin-1-yl]-acetamide
SMILES: NC(=N)N1CCCC(C[C@H](NC(=O)CN2[C@@H](Cc3ccc4ccccc4c3)C(=O)N(CCCc3ccccc3)CC2=O)C(=O)c2nccs2)C1
InChI Key: InChIKey=RDLVGARUIUOEQM-JQIIOYNJSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Trypsin-1 (Homo sapiens (Human)) | BDBM50080895 (CHEMBL311198 | N-[(S)-1-(1-Carbamimidoyl-piperidin...) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company Curated by ChEMBL | Assay Description Inhibitory activity of the compound against human thrombin | Bioorg Med Chem Lett 9: 2497-502 (1999) BindingDB Entry DOI: 10.7270/Q23T9GDD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM50080895 (CHEMBL311198 | N-[(S)-1-(1-Carbamimidoyl-piperidin...) | PDB GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company Curated by ChEMBL | Assay Description Inhibitory activity of the compound against human thrombin | Bioorg Med Chem Lett 9: 2497-502 (1999) BindingDB Entry DOI: 10.7270/Q23T9GDD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Trypsin-1 (Homo sapiens (Human)) | BDBM50080895 (CHEMBL311198 | N-[(S)-1-(1-Carbamimidoyl-piperidin...) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 2.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company Curated by ChEMBL | Assay Description Inhibitory activity of the compound against human trypsin | Bioorg Med Chem Lett 9: 2497-502 (1999) BindingDB Entry DOI: 10.7270/Q23T9GDD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM50080895 (CHEMBL311198 | N-[(S)-1-(1-Carbamimidoyl-piperidin...) | PDB GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company Curated by ChEMBL | Assay Description Inhibitory activity of the compound against human thrombin | Bioorg Med Chem Lett 9: 2497-502 (1999) BindingDB Entry DOI: 10.7270/Q23T9GDD | |||||||||||
More data for this Ligand-Target Pair |