BDBM335784 4-(5-(6-aminopyridin-3- yl)-2-(1-(3-chloro-2- fluorophenyl)-1H-1,2,3- triazole-4-carbonyl)- 1,2,3,4- tetrahydroisoquinoline-1- carboxamido)benzoic acid, bis-TFA salt::US9738655, Example 39
SMILES: COC(=O)c1ccc(NC(=O)[C@@H]2N(CCc3c2cccc3-c2ccc(N)nc2)C(=O)[C@H]2CC(=NO2)c2cccc(Cl)c2F)cc1
InChI Key: InChIKey=BCGVTAKTYPSRQS-POURPWNDSA-N
Data: 2 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Plasma kallikrein (Homo sapiens (Human)) | BDBM335784 (4-(5-(6-aminopyridin-3- yl)-2-(1-(3-chloro-2- fluo...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | 2.63 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company US Patent | Assay Description Plasma kallikrein determinations were made in 0.1 M sodium phosphate buffer at a pH of 7.5 containing 0.1-0.2 M sodium chloride and 0.5% PEG 8000. De... | US Patent US9738655 (2017) BindingDB Entry DOI: 10.7270/Q2BG2R3R | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor XI (Homo sapiens (Human)) | BDBM335784 (4-(5-(6-aminopyridin-3- yl)-2-(1-(3-chloro-2- fluo...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | <5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company US Patent | Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake... | US Patent US9738655 (2017) BindingDB Entry DOI: 10.7270/Q2BG2R3R | |||||||||||
More data for this Ligand-Target Pair |