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SMILES: Nc1ncc(Cl)n2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CN(CC(F)(F)F)CCO1

InChI Key: InChIKey=LBEYVQFCJCEIMS-MRXNPFEDSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 267910   
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))		BDBM267910
PNG
(4-(8-amino-5-chloro-3-{(2R)-4-[(1-hydroxycycloprop...)
Show SMILES Nc1ncc(Cl)n2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CN(CC(F)(F)F)CCO1 |r|
Show InChI InChI=1S/C25H20ClF6N7O2/c26-17-10-35-21(33)20-19(37-22(39(17)20)16-11-38(7-8-41-16)12-24(27,28)29)13-1-3-14(4-2-13)23(40)36-18-9-15(5-6-34-18)25(30,31)32/h1-6,9-10,16H,7-8,11-12H2,(H2,33,35)(H,34,36,40)/t16-/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