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SMILES: Cn1ncc2c1CCC[C@]2(O)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12

InChI Key: InChIKey=PCQWPENTDOIZBE-AREMUKBSSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 246408   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM246408
PNG
(US9446130, 3)
Show SMILES Cn1ncc2c1CCC[C@]2(O)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
Show InChI InChI=1S/C27H23F3N8O2/c1-37-19-3-2-9-26(40,18(19)14-34-37)25-36-21(22-23(31)33-11-12-38(22)25)15-4-6-16(7-5-15)24(39)35-20-13-17(8-10-32-20)27(28,29)30/h4-8,10-14,40H,2-3,9H2,1H3,(H2,31,33)(H,32,35,39)/t26-/m1/s1
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US Patent
n/an/a 2n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Assay Method B: BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy...

US Patent US9446130 (2016)


BindingDB Entry DOI: 10.7270/Q22806H6
More data for this
Ligand-Target Pair