BDBM267514 4-(8-amino-3-((cis)-4-methoxycyclohexyl)imidazo [1,5-a]pyrazin-1-yl)-N-(4-propylpyridin-2-yl)benzamide::US9718828, Example, 43

SMILES: Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)C1CCCC1

InChI Key: InChIKey=HUGAUOUHGSMELS-UHFFFAOYSA-N

Data: 1 EC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 267514   

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))	BDBM267514 (4-(8-amino-3-((cis)-4-methoxycyclohexyl)imidazo [1...) Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)C1CCCC1 Show InChI InChI=1S/C24H21F3N6O/c25-24(26,27)17-9-10-29-18(13-17)31-23(34)16-7-5-14(6-8-16)19-20-21(28)30-11-12-33(20)22(32-19)15-3-1-2-4-15/h5-13,15H,1-4H2,(H2,28,30)(H,29,31,34)	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	n/a	n/a	<10	n/a	n/a	7.2	25
MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V. US Patent					Assay Description Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...				US Patent US9718828 (2017) BindingDB Entry DOI: 10.7270/Q2H9977T
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