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SMILES: CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(c3CO)-n3cc(C(N)=O)c4cncnc34)c2=O)c1

InChI Key: InChIKey=AZSWDGZYTVLICY-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 122432   
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))		BDBM122432
PNG
(US8729078, I-42)
Show SMILES CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(c3CO)-n3cc(C(N)=O)c4cncnc34)c2=O)c1
Show InChI InChI=1S/C26H23FN6O3/c1-26(2,3)15-7-14-9-31-33(25(36)22(14)19(27)8-15)21-6-4-5-20(18(21)12-34)32-11-17(23(28)35)16-10-29-13-30-24(16)32/h4-11,13,34H,12H2,1-3H3,(H2,28,35)
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Similars
US Patent
n/an/a 7.32n/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