BDBM357226 (Z)-5-(3-chloro-2-fluoro-6-(1H-tetrazol-1-yl)phenyl)-2-(25-fluoro-4-oxo -11H-3-aza-1(2,4)-imidazola-2(1,2)-benzenacyclononaphane-9-yl)pyridine 1-oxide::US10214512, Example 161
SMILES: [O-][n+]1cc(ccc1C1CCCCC(=O)Nc2ccc(F)cc2-c2nc1c[nH]2)-c1c(F)c(Cl)ccc1-n1cnnn1
InChI Key:
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Coagulation factor XI (Homo sapiens (Human)) | BDBM357226 ((Z)-5-(3-chloro-2-fluoro-6-(1H-tetrazol-1-yl)pheny...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | 0.550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Corp. US Patent | Assay Description The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine... | US Patent US10214512 (2019) BindingDB Entry DOI: 10.7270/Q2668GGN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kallikrein-1 (Homo sapiens (Human)) | BDBM357226 ((Z)-5-(3-chloro-2-fluoro-6-(1H-tetrazol-1-yl)pheny...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | 1.35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Corp. US Patent | Assay Description The effectiveness of a compound of the present invention as an inhibitor of Kallikrein can be determined using a relevant purified serine protease, a... | US Patent US10214512 (2019) BindingDB Entry DOI: 10.7270/Q2668GGN | |||||||||||
More data for this Ligand-Target Pair |