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SMILES: CC(C)(C)c1ccc2c(cnn(-c3cccc(c3CO)-n3cc(C(N)=O)c(Nc4ccccn4)n3)c2=O)c1

InChI Key: InChIKey=XQBUJYAUKBBWPS-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 122443   
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))		BDBM122443
PNG
(US8729078, I-54)
Show SMILES CC(C)(C)c1ccc2c(cnn(-c3cccc(c3CO)-n3cc(C(N)=O)c(Nc4ccccn4)n3)c2=O)c1
Show InChI InChI=1S/C28H27N7O3/c1-28(2,3)18-10-11-19-17(13-18)14-31-35(27(19)38)23-8-6-7-22(21(23)16-36)34-15-20(25(29)37)26(33-34)32-24-9-4-5-12-30-24/h4-15,36H,16H2,1-3H3,(H2,29,37)(H,30,32,33)
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Similars
US Patent
n/an/a 0.950n/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