BDBM345093 4-[(2-{5-[5-chloro-2- (trifluoromethoxy)phenyl]- 1-oxidopyridin-2-yl}-3- cyclopropylpropanoyl) amino]benzoic acid::US9783530, 38::US9783530, 39
SMILES: OC(=O)c1ccc(NC(=O)C(CC2CC2)c2ccc(c[n+]2[O-])-c2cc(Cl)ccc2OC(F)(F)F)cc1
InChI Key: InChIKey=UAZKGEHRMPZZHB-UHFFFAOYSA-N
Data: 3 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)) | BDBM345093 (4-[(2-{5-[5-chloro-2- (trifluoromethoxy)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 | 1.00E+3 | 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 | |||||||||||||
Kallikrein 1 (Homo sapiens (Human)) | BDBM345093 (4-[(2-{5-[5-chloro-2- (trifluoromethoxy)phenyl]- 1...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 830 | 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)) | BDBM345093 (4-[(2-{5-[5-chloro-2- (trifluoromethoxy)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 | 18.9 | 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 |