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SMILES: CC(=O)C(=O)Nc1cccc(c1)-c1c[nH]c2ncc(NC(=O)OCc3ccccc3Cl)cc12

InChI Key: InChIKey=HQQLIUIWSBAEAR-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 316855   
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))		BDBM316855
PNG
((2- chlorophenyl) methyl N-[3- [3-(2- oxopropanoyl...)
Show SMILES CC(=O)C(=O)Nc1cccc(c1)-c1c[nH]c2ncc(NC(=O)OCc3ccccc3Cl)cc12
Show InChI InChI=1S/C24H19ClN4O4/c1-14(30)23(31)28-17-7-4-6-15(9-17)20-12-27-22-19(20)10-18(11-26-22)29-24(32)33-13-16-5-2-3-8-21(16)25/h2-12H,13H2,1H3,(H,26,27)(H,28,31)(H,29,32)
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PC cid
PC sid
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US Patent
n/an/a 30n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


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

US Patent US9617260 (2017)


BindingDB Entry DOI: 10.7270/Q28W3GCX
More data for this
Ligand-Target Pair