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SMILES: Cn1nc(NC(=O)c2ccc(-c3nc([C@@H]4CC[C@H]5CCC(=O)N5C4)n4ccnc(N)c34)c(OC3CNC3)c2)cc1C(F)(F)F

InChI Key: InChIKey=JJUZLYKAJBZXPN-SJORKVTESA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 255398   
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))		BDBM255398
PNG
(US9481682, 149)
Show SMILES Cn1nc(NC(=O)c2ccc(-c3nc([C@@H]4CC[C@H]5CCC(=O)N5C4)n4ccnc(N)c34)c(OC3CNC3)c2)cc1C(F)(F)F |r|
Show InChI InChI=1S/C29H30F3N9O3/c1-39-21(29(30,31)32)11-22(38-39)36-28(43)15-3-6-19(20(10-15)44-18-12-34-13-18)24-25-26(33)35-8-9-40(25)27(37-24)16-2-4-17-5-7-23(42)41(17)14-16/h3,6,8-11,16-18,34H,2,4-5,7,12-14H2,1H3,(H2,33,35)(H,36,38,43)/t16-,17+/m1/s1
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KEGG

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US Patent
n/an/a 96.7n/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