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SMILES: CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(c3CO)-n3cc(C(N)=O)c4ccc(nc34)N3CCOCC3)c2=O)c1

InChI Key: InChIKey=ITJZLDXJDGJCRX-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 122434   
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))		BDBM122434
PNG
(US8729078, I-44)
Show SMILES CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(c3CO)-n3cc(C(N)=O)c4ccc(nc34)N3CCOCC3)c2=O)c1
Show InChI InChI=1S/C31H31FN6O4/c1-31(2,3)19-13-18-15-34-38(30(41)27(18)23(32)14-19)25-6-4-5-24(22(25)17-39)37-16-21(28(33)40)20-7-8-26(35-29(20)37)36-9-11-42-12-10-36/h4-8,13-16,39H,9-12,17H2,1-3H3,(H2,33,40)
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Similars
US Patent
n/an/a 10.3n/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