BDBM267476 4-(8-amino-3-((trans)-4-hydroxycyclohexyl)imidazo[1,5-a]pyrazin-1-yl)-N-(4-methylpyridin-2-yl)benzamide::US9718828, Example, 6

SMILES: CC(C)c1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@H]3CC[C@H](O)CC3)n3ccnc(N)c23)c1

InChI Key: InChIKey=GLXHXZSLXQOZPQ-XGAFWQRZSA-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 = 267476   

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))	BDBM267476 (4-(8-amino-3-((trans)-4-hydroxycyclohexyl)imidazo[...) Show SMILES CC(C)c1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@H]3CC[C@H](O)CC3)n3ccnc(N)c23)c1 |r,wU:20.20,wD:23.24,(-.4,8.83,;1.08,9.23,;1.48,10.72,;2.17,8.14,;3.66,8.54,;4.75,7.45,;4.35,5.96,;2.86,5.56,;2.46,4.08,;.98,3.68,;-.11,4.77,;.58,2.19,;1.67,1.1,;1.27,-.39,;-.22,-.79,;-1.31,.3,;-.91,1.79,;-.62,-2.27,;.29,-3.52,;-.62,-4.77,;-.22,-6.25,;1.27,-6.65,;1.67,-8.14,;.58,-9.23,;.98,-10.72,;-.91,-8.83,;-1.31,-7.34,;-2.08,-4.29,;-3.42,-5.06,;-4.75,-4.29,;-4.75,-2.75,;-3.42,-1.98,;-3.42,-.44,;-2.08,-2.75,;1.77,6.65,)| Show InChI InChI=1S/C27H30N6O2/c1-16(2)20-11-12-29-22(15-20)31-27(35)19-5-3-17(4-6-19)23-24-25(28)30-13-14-33(24)26(32-23)18-7-9-21(34)10-8-18/h3-6,11-16,18,21,34H,7-10H2,1-2H3,(H2,28,30)(H,29,31,35)/t18-,21-	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