Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with all data for entry = 50005474   

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 chain (Sus scrofa)	BDBM50492298 (CHEMBL2397992) Show SMILES COc1cc(OC)c(\C=C\S(=O)(=O)Nc2ccc(OC)c(N)c2)c(OC)c1 Show InChI InChI=1S/C18H22N2O6S/c1-23-13-10-17(25-3)14(18(11-13)26-4)7-8-27(21,22)20-12-5-6-16(24-2)15(19)9-12/h5-11,20H,19H2,1-4H3/b8-7+	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.68E+3	n/a	n/a	n/a	n/a	n/a	n/a
Icahn School of Medicine at Mount Sinai Curated by ChEMBL					Assay Description Competitive binding affinity to pig brain tubulin colchicine binding site after 1 hr by mass spectrophotometric analysis in presence of colchicine				J Med Chem 56: 5562-86 (2013) Article DOI: 10.1021/jm400575x BindingDB Entry DOI: 10.7270/Q24B3477
					More data for this Ligand-Target Pair
Tubulin beta chain (Sus scrofa)	BDBM50035218 (CHEMBL61 | PODOFILOX | Podophyllinic acid lactone ...) Show SMILES COc1cc(cc(OC)c1OC)[C@H]1[C@@H]2[C@H](COC2=O)[C@@H](O)c2cc3OCOc3cc12 |r| Show InChI InChI=1S/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20,23H,8-9H2,1-3H3/t13-,18+,19-,20-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	3.71E+3	n/a	n/a	n/a	n/a	n/a	n/a
Icahn School of Medicine at Mount Sinai Curated by ChEMBL					Assay Description Competitive binding affinity to pig brain tubulin colchicine binding site after 1 hr by mass spectrophotometric analysis in presence of colchicine				J Med Chem 56: 5562-86 (2013) Article DOI: 10.1021/jm400575x BindingDB Entry DOI: 10.7270/Q24B3477
					More data for this Ligand-Target Pair				3D Structure (crystal)