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SMILES: Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCN(CC(O)CO)C1

InChI Key: InChIKey=MKLROBNHNSPHFK-QSVWIEALSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 267553   
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))		BDBM267553
PNG
((R)-4-(8-amino-3-(1-ethylpiperidin-3-yl)imidazo[1,...)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCN(CC(O)CO)C1 |r|
Show InChI InChI=1S/C27H28F3N7O3/c28-27(29,30)19-7-8-32-21(12-19)34-26(40)17-5-3-16(4-6-17)22-23-24(31)33-9-11-37(23)25(35-22)18-2-1-10-36(13-18)14-20(39)15-38/h3-9,11-12,18,20,38-39H,1-2,10,13-15H2,(H2,31,33)(H,32,34,40)/t18-,20?/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