BDBM247045 2-((1R,3aR,6S, 7R,7aS)-5,5- difluoro-7- ((E)-2-(2'- methoxy-[3,3'- bipyridin]-6- yl)vinyl)-1,6- dimethyl-3- oxooctahydro- isobenzofuran- 3a-yl)acetamide::US9701669, 16
SMILES: COc1ncccc1-c1ccc(\C=C\[C@@H]2[C@@H]3[C@@H](C)OC(=O)[C@]3(CC(N)=O)CC(F)(F)[C@H]2C)nc1
InChI Key: InChIKey=KQUSKRRSHXVUMC-AMPNWBNPSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human)) | BDBM247045 (2-((1R,3aR,6S, 7R,7aS)-5,5- difluoro-7- ((E)-2-(2&...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 2.59E+4 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Merck Sharp & Dohme Corp. US Patent | Assay Description Drug cardiac arrhythmia is an important safety concern for pharmaceutical development and health regulatory authorities. Blockade of heterologously-e... | US Patent US9701669 (2017) BindingDB Entry DOI: 10.7270/Q2PC34DS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
MAP/microtubule affinity-regulating kinase 2 (Homo sapiens (Human)) | BDBM247045 (2-((1R,3aR,6S, 7R,7aS)-5,5- difluoro-7- ((E)-2-(2&...) | PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 104 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Corp. US Patent | Assay Description This assay measures the potency of the inventive compounds as PAR-1 receptor antagonists.Frozen HEK 293 Cells were plated in 384-well PDL coated plat... | US Patent US9701669 (2017) BindingDB Entry DOI: 10.7270/Q2PC34DS | |||||||||||
More data for this Ligand-Target Pair |