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

InChI Key: InChIKey=FZDZOMGNAHTHMA-HNAYVOBHSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 267927   
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))		BDBM267927
PNG
(4-{8-amino-5-chloro-3-[(2R)-4-(2-methoxyethyl)morp...)
Show SMILES C[C@H](O)C(=O)N1CCO[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncc(C)n12 |r|
Show InChI InChI=1S/C27H26F3N7O4/c1-14-12-33-23(31)22-21(35-24(37(14)22)19-13-36(9-10-41-19)26(40)15(2)38)16-3-5-17(6-4-16)25(39)34-20-11-18(7-8-32-20)27(28,29)30/h3-8,11-12,15,19,38H,9-10,13H2,1-2H3,(H2,31,33)(H,32,34,39)/t15-,19+/m0/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