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SMILES: CCOc1ccc(cn1)-c1ccc2c(cn(-c3cccc(c3CO)-n3ncc4cc(cc(F)c4c3=O)C(C)(C)C)c2n1)C(N)=O

InChI Key: InChIKey=IILPIHPEXAJFKK-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 122435   
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))		BDBM122435
PNG
(US8729078, I-45)
Show SMILES CCOc1ccc(cn1)-c1ccc2c(cn(-c3cccc(c3CO)-n3ncc4cc(cc(F)c4c3=O)C(C)(C)C)c2n1)C(N)=O
Show InChI InChI=1S/C34H31FN6O4/c1-5-45-29-12-9-19(15-37-29)26-11-10-22-23(31(36)43)17-40(32(22)39-26)27-7-6-8-28(24(27)18-42)41-33(44)30-20(16-38-41)13-21(14-25(30)35)34(2,3)4/h6-17,42H,5,18H2,1-4H3,(H2,36,43)
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Similars
US Patent
n/an/a 11.0n/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