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SMILES: Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1[C@H]2COC[C@@H]12

InChI Key: InChIKey=PZXZTSSADHAKAT-VQFNDLOPSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 267502   
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))		BDBM267502
PNG
(4-(8-amino-3-((1R,5S,6S)-3-oxabicyc1o[3.1.0]hexan-...)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1[C@H]2COC[C@@H]12 |r|
Show InChI InChI=1S/C24H19F3N6O2/c25-24(26,27)14-5-6-29-17(9-14)31-23(34)13-3-1-12(2-4-13)19-20-21(28)30-7-8-33(20)22(32-19)18-15-10-35-11-16(15)18/h1-9,15-16,18H,10-11H2,(H2,28,30)(H,29,31,34)/t15-,16+,18+
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MMDB

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KEGG

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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