BDBM345072 4-[(2-{5-[5-chloro-2- (1H-tetrazol-1- yl)phenyl]-1- oxidopyridin-2-yl}-3- phenylpropanoyl)amino] bicyclo[2.2.2]octane-1- carboxylic acid::US9783530, 17::US9783530, 18
SMILES: OC(=O)C12CCC(CC1)(CC2)NC(=O)C(Cc1ccccc1)c1ccc(c[n+]1[O-])-c1cc(Cl)ccc1-n1cnnn1
InChI Key: InChIKey=XCYDAVGXMZTCMZ-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)) | BDBM345072 (4-[(2-{5-[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 | 0.760 | 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 | |||||||||||||
Coagulation factor XI (Homo sapiens (Human)) | BDBM345072 (4-[(2-{5-[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 | 271 | 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)) | BDBM345072 (4-[(2-{5-[5-chloro-2- (1H-tetrazol-1- yl)phenyl]-1...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 144 | 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 |