Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tubulin beta-3 chain' and Ligand = 'BDBM50546440'   

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-3 chain (Homo sapiens)	BDBM50546440 (CHEMBL552462) Show SMILES COc1ccc(Nc2nc(N)c(s2)C(=O)c2ccc(OC)c(OC)c2)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to beta tubulin in HEK293 cells assessed as disruption of microtubule polymerization by ITDRF-CETSA assay				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127453 BindingDB Entry DOI: 10.7270/Q21G0QVN
					More data for this Ligand-Target Pair