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SMILES: Cn1c2C[C@H](O)Cc3c(cccc3-n3ncc4cccc(F)c4c3=O)-c2cc(Nc2ccc(cn2)C(=O)N2CCOCC2)c1=O

InChI Key: InChIKey=IRSHIDLCARLKBU-OAQYLSRUSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 205098   
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))		BDBM205098
PNG
(US9556147, 7)
Show SMILES Cn1c2C[C@H](O)Cc3c(cccc3-n3ncc4cccc(F)c4c3=O)-c2cc(Nc2ccc(cn2)C(=O)N2CCOCC2)c1=O |r|
Show InChI InChI=1S/C33H29FN6O5/c1-38-28-15-21(41)14-23-22(5-3-7-27(23)40-33(44)30-19(18-36-40)4-2-6-25(30)34)24(28)16-26(32(38)43)37-29-9-8-20(17-35-29)31(42)39-10-12-45-13-11-39/h2-9,16-18,21,41H,10-15H2,1H3,(H,35,37)/t21-/m1/s1
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MMDB

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PC cid
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US Patent
n/an/a 3.09E+3n/an/an/an/a7.2n/a



HOFFMANN-LA INC.

US Patent


Assay Description
The assay is a capture of radioactive 33P phosphorylated product through filtration. The interactions of BTK, biotinylated SH2 peptide substrate (Src...

US Patent US9556147 (2017)


BindingDB Entry DOI: 10.7270/Q2HX1FP9
More data for this
Ligand-Target Pair