BDBM267837 4-[8-amino-5-(methoxymethyl)-3-{(3R)-1-[(3-methyloxetan-3-yl)carbonyl]piperidin-3-yl}imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide::US9718828, Example, 450
SMILES: COCc1cnc(N)c2c(nc([C@@H]3CC[C@H](C)N(C3)C(=O)C3(C)COC3)n12)-c1ccc(cc1)C(=O)Nc1cc(ccn1)C(F)(F)F
InChI Key: InChIKey=LNZTXPWTQUOCSC-GHTZIAJQSA-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)) | BDBM267837 (4-[8-amino-5-(methoxymethyl)-3-{(3R)-1-[(3-methylo...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V. 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 US9718828 (2017) BindingDB Entry DOI: 10.7270/Q2H9977T | |||||||||||
More data for this Ligand-Target Pair |