BDBM345062 4-{[(2S)-2-{5-[5-chloro- 2-(1H-tetrazol-1- yl)phenyl]-1- oxidopyridin-2-yl}-3-(4- fluorophenyl)propanoyl] amino}benzoic acid::US9783530, 7
SMILES: OC(=O)c1ccc(NC(=O)[C@@H](Cc2ccc(F)cc2)c2ccc(c[n+]2[O-])-c2cc(Cl)ccc2-n2cnnn2)cc1
InChI Key: InChIKey=FVBDKHAIINLDPZ-DEOSSOPVSA-N
Data: 2 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Kallikrein-1 (Homo sapiens (Human)) | BDBM345062 (4-{[(2S)-2-{5-[5-chloro- 2-(1H-tetrazol-1- yl)phen...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 67.1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Corp. US Patent | Assay Description Kallikrein 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; Fishe... | US Patent US9783530 (2017) BindingDB Entry DOI: 10.7270/Q2N87CXK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor XI (Homo sapiens (Human)) | BDBM345062 (4-{[(2S)-2-{5-[5-chloro- 2-(1H-tetrazol-1- yl)phen...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 14.2 | n/a | n/a | n/a | n/a | n/a | 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 US9783530 (2017) BindingDB Entry DOI: 10.7270/Q2N87CXK | |||||||||||
More data for this Ligand-Target Pair |