BDBM267472 4-(8-amino-3-((trans)-4-hydroxycyclohexyl)imidazo[1,5-a]pyrazin-1-yl)-N-(pyridin-2-yl)benzamide::US9718828, Example, 2

SMILES: Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CC[C@H](O)CC1

InChI Key: InChIKey=HGHOIWDVMFUEIR-RZDIXWSQSA-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 = 267472   

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))	BDBM267472 (4-(8-amino-3-((trans)-4-hydroxycyclohexyl)imidazo[...) Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CC[C@H](O)CC1 |r,wU:29.32,wD:32.36,(-3.42,.3,;-3.42,-1.24,;-4.75,-2.01,;-4.75,-3.55,;-3.42,-4.32,;-2.08,-3.55,;-.62,-4.02,;.29,-2.78,;-.62,-1.53,;-.22,-.04,;-1.31,1.05,;-.91,2.53,;.58,2.93,;1.67,1.84,;1.27,.36,;.98,4.42,;-.11,5.51,;2.46,4.82,;2.86,6.31,;1.77,7.4,;2.17,8.88,;3.66,9.28,;4.75,8.19,;4.35,6.7,;1.08,9.97,;-.4,9.57,;1.48,11.46,;.69,8.48,;-2.08,-2.01,;-.22,-5.51,;1.27,-5.91,;1.67,-7.4,;.58,-8.48,;.98,-9.97,;-.91,-8.09,;-1.31,-6.6,)| Show InChI InChI=1S/C25H23F3N6O2/c26-25(27,28)17-9-10-30-19(13-17)32-24(36)16-3-1-14(2-4-16)20-21-22(29)31-11-12-34(21)23(33-20)15-5-7-18(35)8-6-15/h1-4,9-13,15,18,35H,5-8H2,(H2,29,31)(H,30,32,36)/t15-,18-	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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