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SMILES: C[C@H]1CO[C@H](CN1C(=O)C1(C)COC1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12

InChI Key: InChIKey=AIOWTBDHNQPSIB-OXJNMPFZSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 267899   
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))		BDBM267899
PNG
(4-(8-amino-5-methyl-3-{(2R)-4-[(3-methyloxetan-3-y...)
Show SMILES C[C@H]1CO[C@H](CN1C(=O)C1(C)COC1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
Show InChI InChI=1S/C29H28F3N7O4/c1-16-13-43-20(12-39(16)27(41)28(2)14-42-15-28)25-37-22(23-24(33)35-9-10-38(23)25)17-3-5-18(6-4-17)26(40)36-21-11-19(7-8-34-21)29(30,31)32/h3-11,16,20H,12-15H2,1-2H3,(H2,33,35)(H,34,36,40)/t16-,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