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BDBM50039963 CHEMBL3358336

SMILES: CN(C)c1ccc2C(=O)N(CCc2c1)c1cccc(-c2cc(Nc3ccc(cn3)N3CCOCC3)c(=O)n(C)c2)c1CO

InChI Key: InChIKey=NKXNTWJLXPDDIK-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50039963   
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))
BDBM50039963
PNG
(CHEMBL3358336)
Show SMILES CN(C)c1ccc2C(=O)N(CCc2c1)c1cccc(-c2cc(Nc3ccc(cn3)N3CCOCC3)c(=O)n(C)c2)c1CO
Show InChI InChI=1S/C33H36N6O4/c1-36(2)24-7-9-27-22(17-24)11-12-39(32(27)41)30-6-4-5-26(28(30)21-40)23-18-29(33(42)37(3)20-23)35-31-10-8-25(19-34-31)38-13-15-43-16-14-38/h4-10,17-20,40H,11-16,21H2,1-3H3,(H,34,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 190n/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