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SMILES: Cc1cnc(N)c2c(nc([C@H]3CN(CCO3)C(=O)C(F)F)n12)-c1ccc(cc1)C(=O)Nc1cc(ccn1)C(F)(F)F

InChI Key: InChIKey=JTCBLJJIQQVPAA-QGZVFWFLSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 267922   
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))		BDBM267922
PNG
(4-{8-amino-3-[(2R)-4-(ethoxyacetyl)morpholin-2-yl]...)
Show SMILES Cc1cnc(N)c2c(nc([C@H]3CN(CCO3)C(=O)C(F)F)n12)-c1ccc(cc1)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
Show InChI InChI=1S/C26H22F5N7O3/c1-13-11-34-22(32)20-19(36-23(38(13)20)17-12-37(8-9-41-17)25(40)21(27)28)14-2-4-15(5-3-14)24(39)35-18-10-16(6-7-33-18)26(29,30)31/h2-7,10-11,17,21H,8-9,12H2,1H3,(H2,32,34)(H,33,35,39)/t17-/m1/s1
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US Patent
n/an/a<10n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


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

US Patent US9718828 (2017)


BindingDB Entry DOI: 10.7270/Q2H9977T
More data for this
Ligand-Target Pair