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SMILES: CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(c3CO)-n3cc(C(N)=O)c4ccc(Br)nc34)c2=O)c1

InChI Key: InChIKey=OKEAWWZVAKNBQB-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 122438   
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))		BDBM122438
PNG
(US8729078, I-48)
Show SMILES CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(c3CO)-n3cc(C(N)=O)c4ccc(Br)nc34)c2=O)c1
Show InChI InChI=1S/C27H23BrFN5O3/c1-27(2,3)15-9-14-11-31-34(26(37)23(14)19(29)10-15)21-6-4-5-20(18(21)13-35)33-12-17(24(30)36)16-7-8-22(28)32-25(16)33/h4-12,35H,13H2,1-3H3,(H2,30,36)
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MMDB

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Similars
US Patent
n/an/a 7.74n/an/an/an/a7.2n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a...

US Patent US8729078 (2014)


BindingDB Entry DOI: 10.7270/Q2W66JGX
More data for this
Ligand-Target Pair