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SMILES: Nc1nccc2[C@@H](CCc12)NC(=O)c1cnn(Cc2ccc(CN3CC4CC4CC3=O)cc2)c1

InChI Key: InChIKey=DHVXSHQKVRMEIC-MTNXOHHFSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 440988   
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))		BDBM440988
PNG
(US10640486, Example 23)
Show SMILES Nc1nccc2[C@@H](CCc12)NC(=O)c1cnn(Cc2ccc(CN3CC4CC4CC3=O)cc2)c1 |r|
Show InChI InChI=1S/C26H28N6O2/c27-25-22-5-6-23(21(22)7-8-28-25)30-26(34)20-11-29-32(15-20)13-17-3-1-16(2-4-17)12-31-14-19-9-18(19)10-24(31)33/h1-4,7-8,11,15,18-19,23H,5-6,9-10,12-14H2,(H2,27,28)(H,30,34)/t18?,19?,23-/m1/s1
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n/an/a 2n/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