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SMILES: CCOc1cc(C(=O)Nc2cc(ccn2)C(F)(F)F)c(F)cc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2c(Cl)cnc(N)c12

InChI Key: InChIKey=TZUPCGSSZFUCPC-ZBFHGGJFSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 255382   
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))		BDBM255382
PNG
(US9481682, 133)
Show SMILES CCOc1cc(C(=O)Nc2cc(ccn2)C(F)(F)F)c(F)cc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2c(Cl)cnc(N)c12 |r|
Show InChI InChI=1S/C29H26ClF4N7O3/c1-2-44-20-11-17(28(43)38-22-9-15(7-8-36-22)29(32,33)34)19(31)10-18(20)24-25-26(35)37-12-21(30)41(25)27(39-24)14-3-4-16-5-6-23(42)40(16)13-14/h7-12,14,16H,2-6,13H2,1H3,(H2,35,37)(H,36,38,43)/t14-,16+/m1/s1
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KEGG

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PC cid
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US Patent
n/an/a 0.550n/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