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SMILES: CCC(=O)C(=O)Nc1cccc(c1)-c1c[nH]c2ncc(NC(=O)OCc3ccccc3)cc12

InChI Key: InChIKey=MIMRWDGRCBIQKV-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 316843   
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))		BDBM316843
PNG
(US9617260, Compound 4 | benzyl N-[3- [3-(2- oxobut...)
Show SMILES CCC(=O)C(=O)Nc1cccc(c1)-c1c[nH]c2ncc(NC(=O)OCc3ccccc3)cc12
Show InChI InChI=1S/C25H22N4O4/c1-2-22(30)24(31)28-18-10-6-9-17(11-18)21-14-27-23-20(21)12-19(13-26-23)29-25(32)33-15-16-7-4-3-5-8-16/h3-14H,2,15H2,1H3,(H,26,27)(H,28,31)(H,29,32)
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PC cid
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US Patent
n/an/a 8n/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