Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tubulin alpha-1A chain' and Ligand = 'BDBM81752'   

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))	BDBM81752 (Chembridge No 9035650, Class 2, 12) Show SMILES COc1ccc(cc1)C(=O)N1CCN(CC1)c1oc(nc1C#N)-c1ccccc1 Show InChI InChI=1S/C22H20N4O3/c1-28-18-9-7-17(8-10-18)21(27)25-11-13-26(14-12-25)22-19(15-23)24-20(29-22)16-5-3-2-4-6-16/h2-10H,11-14H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University					Assay Description In vitro activity assay using leishmania tarentolae and porcine brain tubulin.				Chem Biol Drug Des 72: 513-24 (2008) Article DOI: 10.1111/j.1747-0285.2008.00729.x BindingDB Entry DOI: 10.7270/Q2SQ8XWV
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