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BDBM50512843 CHEMBL4548939

SMILES: CCN(CC)C(=S)SCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1

InChI Key: InChIKey=QLSHMPBQDLIFTP-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50512843   
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))		BDBM50512843
PNG
(CHEMBL4548939)
Show SMILES CCN(CC)C(=S)SCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1
Show InChI InChI=1S/C26H29FN6O2S2/c1-4-23(34)29-19-8-7-9-20(16-19)30-24-22(27)17-28-25(32-24)31-18-10-12-21(13-11-18)35-14-15-37-26(36)33(5-2)6-3/h4,7-13,16-17H,1,5-6,14-15H2,2-3H3,(H,29,34)(H2,28,30,31,32)
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PC cid
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Article
PubMed
n/an/a 23n/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
More data for this
Ligand-Target Pair