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SMILES: Nc1ncc(Cl)n2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CN(CC#N)CCO1

InChI Key: InChIKey=ULWXHDGRRSDUHD-QGZVFWFLSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 267917   
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))		BDBM267917
PNG
(4-{8-amino-3-[(2R)-4-(2-cyanoethyl)morpholin-2-yl]...)
Show SMILES Nc1ncc(Cl)n2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CN(CC#N)CCO1 |r|
Show InChI InChI=1S/C25H20ClF3N8O2/c26-18-12-33-22(31)21-20(35-23(37(18)21)17-13-36(8-6-30)9-10-39-17)14-1-3-15(4-2-14)24(38)34-19-11-16(5-7-32-19)25(27,28)29/h1-5,7,11-12,17H,8-10,13H2,(H2,31,33)(H,32,34,38)/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