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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 = 'BDBM50039972'   
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))
BDBM50039972
PNG
(CHEMBL3358340)
Show SMILES CN1CCN(CC1)c1ccc(Nc2cc(cn(C)c2=O)-c2cccc(N3CCc4cc(ccc4C3=O)C(C)(C)C#N)c2CO)nc1
Show InChI InChI=1S/C36H39N7O3/c1-36(2,23-37)26-8-10-29-24(18-26)12-13-43(34(29)45)32-7-5-6-28(30(32)22-44)25-19-31(35(46)41(4)21-25)39-33-11-9-27(20-38-33)42-16-14-40(3)15-17-42/h5-11,18-21,44H,12-17,22H2,1-4H3,(H,38,39)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 60n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of BTK in human whole blood assessed as decrease in CD69 positive cells


Bioorg Med Chem Lett 25: 367-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.030
BindingDB Entry DOI: 10.7270/Q2BZ67N2
More data for this
Ligand-Target Pair