BDBM267549 (R)-4-(8-amino-3-(1-phenethylpiperidin-3-yl)imidazo[1,5-a]pyrazin-1-yl)-N-(pyridin-2-yl)benzamide::US9718828, Example, 135

SMILES: Cn1cc(CN2CCC[C@H](C2)c2nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c3c(N)nccn23)cn1

InChI Key: InChIKey=ZIYZAORNGWRFSO-JOCHJYFZSA-N

Data: 1 EC50

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 = 267549   

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))	BDBM267549 ((R)-4-(8-amino-3-(1-phenethylpiperidin-3-yl)imidaz...) Show SMILES Cn1cc(CN2CCC[C@H](C2)c2nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c3c(N)nccn23)cn1 |r| Show InChI InChI=1S/C28H29N9O/c1-35-16-19(15-32-35)17-36-13-4-5-22(18-36)27-34-24(25-26(29)31-12-14-37(25)27)20-7-9-21(10-8-20)28(38)33-23-6-2-3-11-30-23/h2-3,6-12,14-16,22H,4-5,13,17-18H2,1H3,(H2,29,31)(H,30,33,38)/t22-/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	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
					More data for this Ligand-Target Pair