BDBM288562 4-[8-amino-1-(2- fluoro-4-{[4- (trifluoromethyl) pyridin-2- yl]carbamoyl}phenyl) imidazo[1,5-a]pyrazin- 3- yl]bicyclo[2.2.2] octane-1-carboxylic acid::US10087188, Example 170
SMILES: Nc1nccn2c(nc(-c3ccc(cc3F)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)C12CCC(CC1)(CC2)C(O)=O
InChI Key: InChIKey=PXZQHOMLXTWHBS-UHFFFAOYSA-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)) | BDBM288562 (4-[8-amino-1-(2- fluoro-4-{[4- (trifluoromethyl) p...) | 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 | 0.160 | 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 US10087188 (2018) BindingDB Entry DOI: 10.7270/Q2GF0WJC | |||||||||||
More data for this Ligand-Target Pair |