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BDBM50039962 CHEMBL3358335

SMILES: CNC(=O)Nc1cc(cn(C)c1=O)-c1ccc(F)c(N2CCc3cc(ccc3C2=O)N(C)C)c1CO

InChI Key: InChIKey=KKGPRNBNMWZGBO-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50039962   
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))
BDBM50039962
PNG
(CHEMBL3358335)
Show SMILES CNC(=O)Nc1cc(cn(C)c1=O)-c1ccc(F)c(N2CCc3cc(ccc3C2=O)N(C)C)c1CO
Show InChI InChI=1S/C26H28FN5O4/c1-28-26(36)29-22-12-16(13-31(4)25(22)35)18-7-8-21(27)23(20(18)14-33)32-10-9-15-11-17(30(2)3)5-6-19(15)24(32)34/h5-8,11-13,33H,9-10,14H2,1-4H3,(H2,28,29,36)
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 3.70E+3n/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