BDBM362426 4-{7-amino-3- [(6R,8aS)-3- oxooctahydroindolizin- 6-yl]-1H-pyrazolo[3,4-c] pyridin-1-yl}- 3-methoxy-N-[4- (trifluoromethyl)pyridin-2-yl] benzamide::US9834554, Example 40
SMILES: COc1cc(ccc1-n1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)c2ccnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F
InChI Key: InChIKey=WRBUMTNSBJPDOH-AEFFLSMTSA-N
Data: 1 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Tyrosine-protein kinase BTK (Homo sapiens (Human)) | BDBM362426 (4-{7-amino-3- [(6R,8aS)-3- oxooctahydroindolizin- ...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | UniChem | US Patent | n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Corp. US Patent | Assay Description BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay... | US Patent US9834554 (2017) BindingDB Entry DOI: 10.7270/Q2K64MCV | |||||||||||
More data for this Ligand-Target Pair |