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SMILES: Nc1nccc2[C@@H](CCc12)NC(=O)c1cn(Cc2cnc(cc2C(F)(F)F)N2CC3CC3C2)nn1

InChI Key: InChIKey=LGOGHBORYKUBJD-PWGQDJSOSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 441002   
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))		BDBM441002
PNG
(US10640486, Example 42)
Show SMILES Nc1nccc2[C@@H](CCc12)NC(=O)c1cn(Cc2cnc(cc2C(F)(F)F)N2CC3CC3C2)nn1 |r|
Show InChI InChI=1S/C23H23F3N8O/c24-23(25,26)17-6-20(33-8-12-5-13(12)9-33)29-7-14(17)10-34-11-19(31-32-34)22(35)30-18-2-1-16-15(18)3-4-28-21(16)27/h3-4,6-7,11-13,18H,1-2,5,8-10H2,(H2,27,28)(H,30,35)/t12?,13?,18-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This BTK competition assay measures compound potency (IC50) for the inactivated state of Bruton's Tyrosine Kinase using FRET (Förster/Flouresence...

US Patent US10640486 (2020)

More data for this
Ligand-Target Pair