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SMILES: CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(c3CO)-n3cc(C(N)=O)c4cccnc34)c2=O)c1

InChI Key: InChIKey=UFDXCTCOLGLNTJ-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 122409   
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))		BDBM122409
PNG
(US8729078, I-15)
Show SMILES CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(c3CO)-n3cc(C(N)=O)c4cccnc34)c2=O)c1
Show InChI InChI=1S/C27H24FN5O3/c1-27(2,3)16-10-15-12-31-33(26(36)23(15)20(28)11-16)22-8-4-7-21(19(22)14-34)32-13-18(24(29)35)17-6-5-9-30-25(17)32/h4-13,34H,14H2,1-3H3,(H2,29,35)
PDB
MMDB

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KEGG

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PC sid
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Similars
US Patent
n/an/a 3.20n/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