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BDBM50112256 3,4,5-Trimethoxy-benzaldehyde O-(8-hydroxy-5-methyl-8-thiophen-2-yl-octa-2,4-dienyl)-oxime::CHEMBL56812

SMILES: COc1cc(\C=N/OC\C=C\C=C(/C)CCC(O)c2cccs2)cc(OC)c1OC

InChI Key: InChIKey=DHZDJFQCAFAICW-DXXLYGDBSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50112256   
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


(Sus scrofa (Pig))		BDBM50112256
PNG
(3,4,5-Trimethoxy-benzaldehyde O-(8-hydroxy-5-methy...)
Show SMILES COc1cc(\C=N/OC\C=C\C=C(/C)CCC(O)c2cccs2)cc(OC)c1OC
Show InChI InChI=1S/C23H29NO5S/c1-17(10-11-19(25)22-9-7-13-30-22)8-5-6-12-29-24-16-18-14-20(26-2)23(28-4)21(15-18)27-3/h5-9,13-16,19,25H,10-12H2,1-4H3/b6-5+,17-8+,24-16-
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PC cid
PC sid
UniChem

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PubMed
n/an/a 170n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Ability to inhibit the GTP/glutamate-induced polymerization of tubulin

J Med Chem 45: 1901-17 (2002)


BindingDB Entry DOI: 10.7270/Q2FX78S7
More data for this
Ligand-Target Pair