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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 = 'BDBM50464526'   
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))
BDBM50464526
PNG
(CHEMBL4284156)
Show SMILES Clc1cnc(Nc2ccc(OCCCN3CCOCC3)c(Cl)c2)nc1Nc1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C26H28Cl2N6O3/c1-2-24(35)30-18-5-3-6-19(15-18)31-25-22(28)17-29-26(33-25)32-20-7-8-23(21(27)16-20)37-12-4-9-34-10-13-36-14-11-34/h2-3,5-8,15-17H,1,4,9-14H2,(H,30,35)(H2,29,31,32,33)
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.700n/an/an/an/an/an/a



The First Affiliated Hospital of Dalian Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length N-terminal His-tagged human BTK expressed in baculovirus infected Sf9 insect cells using Poly(4:1 Glu,Tyr) pept...


Eur J Med Chem 143: 1847-1857 (2018)


Article DOI: 10.1016/j.ejmech.2017.10.080
BindingDB Entry DOI: 10.7270/Q22V2JR3
More data for this
Ligand-Target Pair