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SMILES: COc1ccc2c(CCC(CC2=O)c2cc(OC)c(OC)c(OC)c2)c1OC

InChI Key: InChIKey=MHHMOFOCPFLXTR-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50513152   
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
Similar to alpha-tubulin isoform 1


(Bos taurus)		BDBM50513152
PNG
(CHEMBL4446352)
Show SMILES COc1ccc2c(CCC(CC2=O)c2cc(OC)c(OC)c(OC)c2)c1OC
Show InChI InChI=1S/C22H26O6/c1-24-18-9-8-15-16(21(18)27-4)7-6-13(10-17(15)23)14-11-19(25-2)22(28-5)20(12-14)26-3/h8-9,11-13H,6-7,10H2,1-5H3
UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Baylor University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization preincubated for 15 mins followed by GTP addition and measured for 20 mins by turbidimetry-based sp...

J Med Chem 62: 5594-5615 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00551
More data for this
Ligand-Target Pair