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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM50512831'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM50512831
PNG
(CHEMBL4517522)
Show SMILES CN(C)C(=S)SCCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1
Show InChI InChI=1S/C25H27FN6O2S2/c1-4-22(33)28-18-7-5-8-19(15-18)29-23-21(26)16-27-24(31-23)30-17-9-11-20(12-10-17)34-13-6-14-36-25(35)32(2)3/h4-5,7-12,15-16H,1,6,13-14H2,2-3H3,(H,28,33)(H2,27,29,30,31)
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n/an/a 14n/an/an/an/an/an/a



Peking University Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length BTK expressed in baculovirus in Sf9 insect cells using Poly (4:1 Glu, Tyr) as substrate incubated for 1 h...

Bioorg Med Chem 27: 4124-4142 (2019)


Article DOI: 10.1016/j.bmc.2019.07.043
BindingDB Entry DOI: 10.7270/Q2DZ0CN2
More data for this
Ligand-Target Pair