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SMILES: CCOc1cc(ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)C(=O)Nc1cc(n(C)n1)C(F)(F)F

InChI Key: InChIKey=LNPOPYVTLTYSRB-SJORKVTESA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 255380   
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))		BDBM255380
PNG
(US9481682, 131)
Show SMILES CCOc1cc(ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)C(=O)Nc1cc(n(C)n1)C(F)(F)F |r|
Show InChI InChI=1S/C28H29F3N8O3/c1-3-42-19-12-15(27(41)34-21-13-20(28(29,30)31)37(2)36-21)5-8-18(19)23-24-25(32)33-10-11-38(24)26(35-23)16-4-6-17-7-9-22(40)39(17)14-16/h5,8,10-13,16-17H,3-4,6-7,9,14H2,1-2H3,(H2,32,33)(H,34,36,41)/t16-,17+/m1/s1
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US Patent
n/an/a 0.740n/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