BDBM50073298 4-((S)-1-Benzyl-2-morpholin-4-yl-ethylamino)-pyridine-3-sulfonic acid {(S)-1-(4-amino-benzyl)-2-[4-(2-fluoro-ethyl)-piperidin-1-yl]-2-oxo-ethyl}-amide::4-((S)-1-Morpholin-4-ylmethyl-2-phenyl-ethylamino)-pyridine-3-sulfonic acid {(S)-1-(4-amino-benzyl)-2-[4-(2-fluoro-ethyl)-piperidin-1-yl]-2-oxo-ethyl}-amide::CHEMBL118159
SMILES: Nc1ccc(C[C@H](NS(=O)(=O)c2cnccc2N[C@H](CN2CCOCC2)Cc2ccccc2)C(=O)N2CCC(CCF)CC2)cc1
InChI Key: InChIKey=WDGJSLVWUQWGTB-CDZUIXILSA-N
Data: 3 KI
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)) | BDBM50073298 (4-((S)-1-Benzyl-2-morpholin-4-yl-ethylamino)-pyrid...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Center Curated by ChEMBL | Assay Description In vitro inhibtion of human thrombin. | Bioorg Med Chem Lett 9: 737-42 (1999) BindingDB Entry DOI: 10.7270/Q2BG2N6V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM50073298 (4-((S)-1-Benzyl-2-morpholin-4-yl-ethylamino)-pyrid...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Center Curated by ChEMBL | Assay Description In vitro inhibtion of human thrombin. | Bioorg Med Chem Lett 9: 737-42 (1999) BindingDB Entry DOI: 10.7270/Q2BG2N6V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM50073298 (4-((S)-1-Benzyl-2-morpholin-4-yl-ethylamino)-pyrid...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Center Curated by ChEMBL | Assay Description In vitro binding affinity for human thrombin. | Bioorg Med Chem Lett 8: 3583-8 (1999) BindingDB Entry DOI: 10.7270/Q24B30GQ | |||||||||||
More data for this Ligand-Target Pair |