BDBM50080905 CHEMBL83681::N-[(S)-1-(1-Carbamimidoyl-piperidin-3-ylmethyl)-2-oxo-2-thiazol-2-yl-ethyl]-2-[(S)-2-(4-methoxy-benzyl)-3,6-dioxo-4-(3-phenyl-propyl)-piperazin-1-yl]-acetamide
SMILES: COc1ccc(C[C@@H]2N(CC(=O)N[C@@H](CC3CCCN(C3)C(N)=N)C(=O)c3nccs3)C(=O)CN(CCCc3ccccc3)C2=O)cc1
InChI Key: InChIKey=PWPUXJXGOLTDRT-DBESADCWSA-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)) | BDBM50080905 (CHEMBL83681 | N-[(S)-1-(1-Carbamimidoyl-piperidin-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 43 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company Curated by ChEMBL | Assay Description Binding affinity against 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)) | BDBM50080905 (CHEMBL83681 | N-[(S)-1-(1-Carbamimidoyl-piperidin-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company Curated by ChEMBL | Assay Description Binding affinity against 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)) | BDBM50080905 (CHEMBL83681 | N-[(S)-1-(1-Carbamimidoyl-piperidin-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 3.80E+3 | 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 |