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SMILES: Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCNC1

InChI Key: InChIKey=SYKOWYYEJBBBJS-MRXNPFEDSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 267524   
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))		BDBM267524
PNG
((R)-4-(8-amino-3-(1-(3-hydroxy-2-(hydroxymethyl)-2...)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCNC1 |r|
Show InChI InChI=1S/C24H22F3N7O/c25-24(26,27)17-7-9-30-18(12-17)32-23(35)15-5-3-14(4-6-15)19-20-21(28)31-10-11-34(20)22(33-19)16-2-1-8-29-13-16/h3-7,9-12,16,29H,1-2,8,13H2,(H2,28,31)(H,30,32,35)/t16-/m1/s1
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US Patent
n/an/an/an/a<10n/an/a7.225



MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...

US Patent US9718828 (2017)


BindingDB Entry DOI: 10.7270/Q2H9977T
More data for this
Ligand-Target Pair