BDBM161052 US9108951, 3::US9394276, 3::US9725435, 3
SMILES: OC(=O)c1ccc(NC(=O)[C@H]2N(CCc3ccccc23)C(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)cc1
InChI Key: InChIKey=XLVCNINDJUKQNE-FRHHVXPKSA-N
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)) | BDBM161052 (US9108951, 3 | US9394276, 3 | US9725435, 3) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | PDB US Patent | 10.3 | 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 US9725435 (2017) BindingDB Entry DOI: 10.7270/Q2Q52RQ4 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Coagulation factor XI (Homo sapiens (Human)) | BDBM161052 (US9108951, 3 | US9394276, 3 | US9725435, 3) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | PDB US Patent | 10.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company US Patent | Assay Description The effectiveness of compounds of the present invention as inhibitors of the coagulation factors XIa, Vila, IXa, Xa, Xlla, plasma kallikrein or throm... | US Patent US9108951 (2015) BindingDB Entry DOI: 10.7270/Q2QC028B | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Coagulation factor XI (Homo sapiens (Human)) | BDBM161052 (US9108951, 3 | US9394276, 3 | US9725435, 3) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | PDB US Patent | 10.3 | n/a | n/a | n/a | n/a | n/a | n/a | 7.4 | 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 US9394276 (2016) BindingDB Entry DOI: 10.7270/Q2XG9Q1C | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Coagulation factor XI (Homo sapiens (Human)) | BDBM161052 (US9108951, 3 | US9394276, 3 | US9725435, 3) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company Curated by ChEMBL | Assay Description Inhibition of human factor 11a using pyro-Glu-Pro-Arg-pNA as substrate at 37 degC after 10 to 120 mins by spectrophotometric method | J Med Chem 60: 9703-9723 (2017) Article DOI: 10.1021/acs.jmedchem.7b01171 BindingDB Entry DOI: 10.7270/Q2K64MHN | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |