Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tubulin alpha-1A chain' and Ligand = 'BDBM50148881'   

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 alpha-1A chain (Sus scrofa (Pig))	BDBM50148881 (Acetic acid (2S,3R)-8-hydroxy-2,3,9-trimethyl-4-ox...) Show SMILES C[C@@H]1Oc2c(c(=O)oc3ccc(O)c(C)c23)[C@]1(C)COC(C)=O Show InChI InChI=1S/C17H18O6/c1-8-11(19)5-6-12-13(8)15-14(16(20)23-12)17(4,9(2)22-15)7-21-10(3)18/h5-6,9,19H,7H2,1-4H3/t9-,17+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Inhibition of the polymerization of tubulin				Bioorg Med Chem Lett 14: 3665-8 (2004) Article DOI: 10.1016/j.bmcl.2004.05.015 BindingDB Entry DOI: 10.7270/Q2Z037MD
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