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SMILES: Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CN(CC2CC2)CCO1

InChI Key: InChIKey=FMGACZPHSMCHFJ-HXUWFJFHSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 267892   
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))		BDBM267892
PNG
(4-(8-amino-3-{(2R)-4-[(3-methyloxetan-3-yl)methyl]...)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CN(CC2CC2)CCO1 |r|
Show InChI InChI=1S/C27H26F3N7O2/c28-27(29,30)19-7-8-32-21(13-19)34-26(38)18-5-3-17(4-6-18)22-23-24(31)33-9-10-37(23)25(35-22)20-15-36(11-12-39-20)14-16-1-2-16/h3-10,13,16,20H,1-2,11-12,14-15H2,(H2,31,33)(H,32,34,38)/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