BDBM50076819 4-((S)-1-Hydroxymethyl-2-phenyl-ethylamino)-pyridine-3-sulfonic acid {(S)-1-(4-amino-phenyl)-2-[4-(2-fluoro-ethyl)-piperidin-1-yl]-2-oxo-ethyl}-amide::CHEMBL12506
SMILES: Nc1ccc(cc1)[C@H](NS(=O)(=O)c1cnccc1N[C@H](CO)Cc1ccccc1)C(=O)N1CCC(CCF)CC1
InChI Key: InChIKey=PYACADUHDHRESY-LSYYVWMOSA-N
Data: 4 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 |
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Prothrombin (Homo sapiens (Human)) | BDBM50076819![]() (4-((S)-1-Hydroxymethyl-2-phenyl-ethylamino)-pyridi...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | PubMed | 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre Curated by ChEMBL | Assay Description Binding affinity to human thrombin | Bioorg Med Chem Lett 9: 1103-8 (1999) BindingDB Entry DOI: 10.7270/Q2SB44XG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Trypsin-1 (Homo sapiens (Human)) | BDBM50076819![]() (4-((S)-1-Hydroxymethyl-2-phenyl-ethylamino)-pyridi...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | PubMed | 2.52E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre Curated by ChEMBL | Assay Description Binding affinity of the compound was evaluated against against human trypsin | Bioorg Med Chem Lett 9: 1103-8 (1999) BindingDB Entry DOI: 10.7270/Q2SB44XG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Plasminogen (Homo sapiens (Human)) | BDBM50076819![]() (4-((S)-1-Hydroxymethyl-2-phenyl-ethylamino)-pyridi...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | PubMed | >8.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre Curated by ChEMBL | Assay Description Binding affinity of the compound was evaluated against against human plasmin | Bioorg Med Chem Lett 9: 1103-8 (1999) BindingDB Entry DOI: 10.7270/Q2SB44XG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-chymotrypsin (Homo sapiens (Human)) | BDBM50076819![]() (4-((S)-1-Hydroxymethyl-2-phenyl-ethylamino)-pyridi...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.15E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre Curated by ChEMBL | Assay Description Binding affinity of the compound was evaluated against against human chymotrypsin | Bioorg Med Chem Lett 9: 1103-8 (1999) BindingDB Entry DOI: 10.7270/Q2SB44XG | |||||||||||
More data for this Ligand-Target Pair |