BDBM285852 5-(2-{3-[5-chloro-2- (1H-tetrazol-1- yl)phenyl]-1-oxido- 6,7-dihydro-5H- cyclopenta[b]pyridin- 7-yl}-1H-imidazol-5- yl)thiophene-2- carboxylic acid::US10081617, Example 12
SMILES: OC(=O)c1ccc(s1)-c1cnc([nH]1)C1CCc2cc(c[n+]([O-])c12)-c1cc(Cl)ccc1-n1cnnn1
InChI Key:
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)) | BDBM285852 (5-(2-{3-[5-chloro-2- (1H-tetrazol-1- yl)phenyl]-1-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | 3.08 | n/a | n/a | 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 | |||||||||||||
Coagulation factor XI (Homo sapiens (Human)) | BDBM285852 (5-(2-{3-[5-chloro-2- (1H-tetrazol-1- yl)phenyl]-1-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 5.94 | 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 |