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Compile Data Set for Download or QSAR

Found 1 hit of ic50 for monomerid = 50512845   
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))
BDBM50512845
PNG
(CHEMBL4445733)
Show SMILES OCCN1CCN(CC1)C(=S)SCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1
Show InChI InChI=1S/C28H32FN7O3S2/c1-2-25(38)31-21-4-3-5-22(18-21)32-26-24(29)19-30-27(34-26)33-20-6-8-23(9-7-20)39-16-17-41-28(40)36-12-10-35(11-13-36)14-15-37/h2-9,18-19,37H,1,10-17H2,(H,31,38)(H2,30,32,33,34)
PDB
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 68n/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