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SMILES: Cn1nc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CC[C@H]4CCC(=O)N4C3)n3ccnc(N)c23)cc1C(F)(F)F

InChI Key: InChIKey=FOQUTLLEYYHDNO-SJORKVTESA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 255420   
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))		BDBM255420
PNG
(US9481682, 171)
Show SMILES Cn1nc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CC[C@H]4CCC(=O)N4C3)n3ccnc(N)c23)cc1C(F)(F)F |r|
Show InChI InChI=1S/C26H25F3N8O2/c1-35-18(26(27,28)29)12-19(34-35)32-25(39)15-4-2-14(3-5-15)21-22-23(30)31-10-11-36(22)24(33-21)16-6-7-17-8-9-20(38)37(17)13-16/h2-5,10-12,16-17H,6-9,13H2,1H3,(H2,30,31)(H,32,34,39)/t16-,17+/m1/s1
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MMDB

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KEGG

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PC cid
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US Patent
n/an/a 0.410n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

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 US9481682 (2016)


BindingDB Entry DOI: 10.7270/Q2959GGM
More data for this
Ligand-Target Pair