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BDBM50045731 (4-Methylsulfanyl-phenyl)-(3,4,5-trimethoxy-benzyl)-ammonium; chloride::CHEMBL96430

SMILES: COc1cc(C[NH2+]c2ccc(SC)cc2)cc(OC)c1OC

InChI Key: InChIKey=ANLBBCQAUDTUDK-UHFFFAOYSA-O

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50045731   
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
Tubulin alpha chain /beta chain


(Bos taurus)
BDBM50045731
PNG
((4-Methylsulfanyl-phenyl)-(3,4,5-trimethoxy-benzyl...)
Show SMILES COc1cc(C[NH2+]c2ccc(SC)cc2)cc(OC)c1OC
Show InChI InChI=1S/C17H21NO3S/c1-19-15-9-12(10-16(20-2)17(15)21-3)11-18-13-5-7-14(22-4)8-6-13/h5-10,18H,11H2,1-4H3/p+1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.60E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
In vitro inhibition of bovine electrophoretically homogeneous tubulin polymerization.


J Med Chem 36: 2817-21 (1993)


Article DOI: 10.1021/jm00071a012
BindingDB Entry DOI: 10.7270/Q20R9NH6
More data for this
Ligand-Target Pair