BDBM267838 4-[8-amino-5-(methoxymethyl)-3-{(3R,6S)-6-methyl-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, 451

SMILES: COCc1cnc(N)c2c(nc([C@@H]3CCCN(C3)C(=O)C3(C)COC3)n12)-c1ccc(cc1F)C(=O)Nc1cc(ccn1)C(F)(F)F

InChI Key: InChIKey=YOVIPHVVRVPXPT-GOSISDBHSA-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 = 267838   

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))	BDBM267838 (4-[8-amino-5-(methoxymethyl)-3-{(3R,6S)-6-methyl-1...) Show SMILES COCc1cnc(N)c2c(nc([C@@H]3CCCN(C3)C(=O)C3(C)COC3)n12)-c1ccc(cc1F)C(=O)Nc1cc(ccn1)C(F)(F)F |r| Show InChI InChI=1S/C31H31F4N7O4/c1-30(15-46-16-30)29(44)41-9-3-4-18(13-41)27-40-24(25-26(36)38-12-20(14-45-2)42(25)27)21-6-5-17(10-22(21)32)28(43)39-23-11-19(7-8-37-23)31(33,34)35/h5-8,10-12,18H,3-4,9,13-16H2,1-2H3,(H2,36,38)(H,37,39,43)/t18-/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