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SMILES: CC1(CN2CCO[C@H](C2)c2nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c3c(N)nccn23)COC1

InChI Key: InChIKey=VDYZSEXELXDNGE-HXUWFJFHSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 267891   
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))		BDBM267891
PNG
(4-(8-amino-5-methyl-3-{(2R)-4-[(3-methyloxetan-3-y...)
Show SMILES CC1(CN2CCO[C@H](C2)c2nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c3c(N)nccn23)COC1 |r|
Show InChI InChI=1S/C28H28F3N7O3/c1-27(15-40-16-27)14-37-10-11-41-20(13-37)25-36-22(23-24(32)34-8-9-38(23)25)17-2-4-18(5-3-17)26(39)35-21-12-19(6-7-33-21)28(29,30)31/h2-9,12,20H,10-11,13-16H2,1H3,(H2,32,34)(H,33,35,39)/t20-/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