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SMILES: CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(c3CO)-n3cc(C(N)=O)c4ccccc34)c2=O)c1

InChI Key: InChIKey=OZJZIGMUOOULRY-UHFFFAOYSA-N

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 122411   
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))		BDBM122411
PNG
(US8729078, I-17)
Show SMILES CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(c3CO)-n3cc(C(N)=O)c4ccccc34)c2=O)c1
Show InChI InChI=1S/C28H25FN4O3/c1-28(2,3)17-11-16-13-31-33(27(36)25(16)21(29)12-17)24-10-6-9-23(20(24)15-34)32-14-19(26(30)35)18-7-4-5-8-22(18)32/h4-14,34H,15H2,1-3H3,(H2,30,35)
PDB
MMDB

NCI pathway
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KEGG

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PC cid
PC sid
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Similars
US Patent
n/an/a 4.10n/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