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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 372.4
BDBM50198615

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   
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
Microtubule-associated protein tau


(Homo sapiens (Human))
BDBM50198615
PNG
(CHEMBL3922663)
Show SMILES COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc3ccccc3c2)ccc1O
Show InChI InChI=1S/C24H20O4/c1-28-24-15-18(9-13-23(24)27)8-12-22(26)16-21(25)11-7-17-6-10-19-4-2-3-5-20(19)14-17/h2-15,27H,16H2,1H3/b11-7+,12-8+
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 420n/an/an/an/an/an/a



Doshisha University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TAU three-repeat microtubule-binding domain aggregation expressed in Escherichia coli after 16 hrs by thioflavin T fl...


Bioorg Med Chem Lett 26: 5024-5028 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.092
BindingDB Entry DOI: 10.7270/Q2833V0M
More data for this
Ligand-Target Pair