BDBM267894 4-(8-amino-5-methyl-3-{(2R)-4-[(1-methyl-1H-pyrazol-4-yl)methyl]morpholin-2-yl}imidazo[1,5-a]pyrazin-1-yl)-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide::US9718828, Example, 510

SMILES: COCCC(=O)N1CCO[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncc(C)n12

InChI Key: InChIKey=LJSKCAFJUJGYHM-HXUWFJFHSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 267894   

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))	BDBM267894 (4-(8-amino-5-methyl-3-{(2R)-4-[(1-methyl-1H-pyrazo...) Show SMILES COCCC(=O)N1CCO[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncc(C)n12 |r| Show InChI InChI=1S/C28H28F3N7O4/c1-16-14-34-25(32)24-23(36-26(38(16)24)20-15-37(10-12-42-20)22(39)8-11-41-2)17-3-5-18(6-4-17)27(40)35-21-13-19(7-9-33-21)28(29,30)31/h3-7,9,13-14,20H,8,10-12,15H2,1-2H3,(H2,32,34)(H,33,35,40)/t20-/m1/s1	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