BDBM285873 (S)-3-(5-chloro-2-(1H-tetrazol-1-yl)phenyl)-7-hydroxy-7-(5-(4-((methoxycarbonyl)amino)phenyl)-1H-imidazol-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-1-oxide and (R)-3-(5-chloro-2-(1H-tetrazol-1-yl)phenyl)-7-hydroxy-7-(5-(4-((methoxycarbonyl)amino)phenyl)-1H-imidazol-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-1-oxide::US10081617, Example 21
SMILES: COC(=O)Nc1ccc(cc1)-c1cnc([nH]1)[C@@]1(O)CCc2cc(c[n+]([O-])c12)-c1cc(Cl)ccc1-n1cnnn1
InChI Key:
Data: 1 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Coagulation factor XI (Homo sapiens (Human)) | BDBM285873 ((S)-3-(5-chloro-2-(1H-tetrazol-1-yl)phenyl)-7-hydr...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 0.520 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Merck Sharp & Dohme Corp. US Patent | Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 150 mM NaCl, 5 mM CaCl2, and 0.1% PEG 8000 (polyethylene glycol; JT Ba... | US Patent US10081617 (2018) BindingDB Entry DOI: 10.7270/Q2CR5WDN | |||||||||||
More data for this Ligand-Target Pair |