Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for entry = 50047220   

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)	BDBM50154910 (CHEMBL3775353) Show SMILES COc1ccc(cc1\C=C1\C(=O)Nc2ccc(F)cc12)C(=O)c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C26H22FNO6/c1-31-21-8-5-14(24(29)16-11-22(32-2)25(34-4)23(12-16)33-3)9-15(21)10-19-18-13-17(27)6-7-20(18)28-26(19)30/h5-13H,1-4H3,(H,28,30)/b19-10+	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of porcine brain tubulin polymerization after 1 hr by fluorescence assay				Bioorg Med Chem 24: 1729-40 (2016) Article DOI: 10.1016/j.bmc.2016.02.047 BindingDB Entry DOI: 10.7270/Q22809G0
					More data for this Ligand-Target Pair
Tubulin beta chain (Sus scrofa)	BDBM50005480 ((-)-combretastatin | (Z)-3'-hydroxy-3,4,4',5-tetra...) Show SMILES COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1O Show InChI InChI=1S/C18H20O5/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h5-11,19H,1-4H3/b6-5-	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.06E+3	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of porcine brain tubulin polymerization after 1 hr by fluorescence assay				Bioorg Med Chem 24: 1729-40 (2016) Article DOI: 10.1016/j.bmc.2016.02.047 BindingDB Entry DOI: 10.7270/Q22809G0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tubulin beta chain (Sus scrofa)	BDBM50154909 (CHEMBL3775082) Show SMILES COc1ccc2NC(=O)\C(=C\c3cc(ccc3OC)C(=O)c3cc(OC)c(OC)c(OC)c3)c2c1 Show InChI InChI=1S/C27H25NO7/c1-31-18-7-8-21-19(14-18)20(27(30)28-21)11-16-10-15(6-9-22(16)32-2)25(29)17-12-23(33-3)26(35-5)24(13-17)34-4/h6-14H,1-5H3,(H,28,30)/b20-11+	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.23E+3	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of porcine brain tubulin polymerization after 1 hr by fluorescence assay				Bioorg Med Chem 24: 1729-40 (2016) Article DOI: 10.1016/j.bmc.2016.02.047 BindingDB Entry DOI: 10.7270/Q22809G0
					More data for this Ligand-Target Pair