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SMILES: C[C@H]1CO[C@H](CN1C(=O)C1CC1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12

InChI Key: InChIKey=QSDILAZARCECIK-MGPUTAFESA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 267900   
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))		BDBM267900
PNG
(4-(8-amino-3-{(2R,5S)-5-methyl-4-[(3-methyloxetan-...)
Show SMILES C[C@H]1CO[C@H](CN1C(=O)C1CC1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
Show InChI InChI=1S/C28H26F3N7O3/c1-15-14-41-20(13-38(15)27(40)18-6-7-18)25-36-22(23-24(32)34-10-11-37(23)25)16-2-4-17(5-3-16)26(39)35-21-12-19(8-9-33-21)28(29,30)31/h2-5,8-12,15,18,20H,6-7,13-14H2,1H3,(H2,32,34)(H,33,35,39)/t15-,20+/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