BDBM267485 4-(8-amino-3-((trans)-4-hydroxycyclohexyl)imidazo[1,5-a]pyrazin-1-yl)-2-fluoro-N-(4-propylpyridin-2-yl)benzamide::US9718828, Example, 14

SMILES: CC1CCc2nc(NC(=O)c3ccc(cc3)-c3nc([C@H]4CC[C@H](O)CC4)n4ccnc(N)c34)sc2C1

InChI Key: InChIKey=VZHNEWMQGBQLEK-DLSAPELLSA-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 = 267485   

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))	BDBM267485 (4-(8-amino-3-((trans)-4-hydroxycyclohexyl)imidazo[...) Show SMILES CC1CCc2nc(NC(=O)c3ccc(cc3)-c3nc([C@H]4CC[C@H](O)CC4)n4ccnc(N)c34)sc2C1 |r,wU:19.19,wD:22.23,(3.01,11.41,;3.33,9.9,;4.79,9.42,;5.11,7.92,;3.97,6.89,;3.97,5.35,;2.5,4.87,;2.1,3.38,;.62,2.99,;-.47,4.07,;.22,1.5,;1.31,.41,;.91,-1.08,;-.58,-1.48,;-1.67,-.39,;-1.27,1.1,;-.98,-2.96,;-.07,-4.21,;-.98,-5.46,;-.58,-6.94,;.91,-7.34,;1.31,-8.83,;.22,-9.92,;.62,-11.41,;-1.27,-9.52,;-1.67,-8.03,;-2.44,-4.98,;-3.78,-5.75,;-5.11,-4.98,;-5.11,-3.44,;-3.78,-2.67,;-3.78,-1.13,;-2.44,-3.44,;1.6,6.12,;2.5,7.36,;2.18,8.87,)| Show InChI InChI=1S/C27H30N6O2S/c1-15-2-11-20-21(14-15)36-27(30-20)32-26(35)18-5-3-16(4-6-18)22-23-24(28)29-12-13-33(23)25(31-22)17-7-9-19(34)10-8-17/h3-6,12-13,15,17,19,34H,2,7-11,14H2,1H3,(H2,28,29)(H,30,32,35)/t15?,17-,19-	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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