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SMILES: COCC(=O)N1CCO[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncc(Cl)n12

InChI Key: InChIKey=XNLVRFHUMUTCMR-QGZVFWFLSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 267912   
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))		BDBM267912
PNG
(4-(8-amino-5-cyano-3-{(2R)-4-[(3-methyloxetan-3-yl...)
Show SMILES COCC(=O)N1CCO[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncc(Cl)n12 |r|
Show InChI InChI=1S/C26H23ClF3N7O4/c1-40-13-20(38)36-8-9-41-17(12-36)24-35-21(22-23(31)33-11-18(27)37(22)24)14-2-4-15(5-3-14)25(39)34-19-10-16(6-7-32-19)26(28,29)30/h2-7,10-11,17H,8-9,12-13H2,1H3,(H2,31,33)(H,32,34,39)/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