Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tubulin beta-1 chain' and Ligand = 'BDBM50168459'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Tubulin beta-1 chain (Homo sapiens (Human))	BDBM50168459 (CHEMBL195691 | Methanesulfonic acid 2-{2-methoxy-5...) Show SMILES COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1OCCOS(C)(=O)=O Show InChI InChI=1S/C21H26O8S/c1-24-17-9-8-15(12-18(17)28-10-11-29-30(5,22)23)6-7-16-13-19(25-2)21(27-4)20(14-16)26-3/h6-9,12-14H,10-11H2,1-5H3/b7-6-	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Arizona State University Curated by ChEMBL					Assay Description Inhibition of tubulin polymerization upon incubation for 20 min at 30 degree C				J Med Chem 48: 4087-99 (2005) Article DOI: 10.1021/jm0205797 BindingDB Entry DOI: 10.7270/Q23B60XC
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