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SMILES: CCOCCC(=O)N1CCO[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12

InChI Key: InChIKey=KVGRKZKSLHKDTJ-HXUWFJFHSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 267887   
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))		BDBM267887
PNG
(4-(8-amino-3-{(2R)-4-[3-(methylsulfanyl)propanoyl]...)
Show SMILES CCOCCC(=O)N1CCO[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
Show InChI InChI=1S/C28H28F3N7O4/c1-2-41-13-8-22(39)37-12-14-42-20(16-37)26-36-23(24-25(32)34-10-11-38(24)26)17-3-5-18(6-4-17)27(40)35-21-15-19(7-9-33-21)28(29,30)31/h3-7,9-11,15,20H,2,8,12-14,16H2,1H3,(H2,32,34)(H,33,35,40)/t20-/m1/s1
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MMDB

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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