Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Heat shock protein HSP 90-beta' and Ligand = 'BDBM50557204'   

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
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50557204 (CHEMBL4740377) Show SMILES CCCC1Cc2cc(cc(N[C@H]3CC[C@H](O)CC3)c2C(=O)N1)-n1nc(C)c2c1CC(C)(C)CC2=O |r,wU:11.10,wD:14.14,(16.82,-13.5,;15.5,-12.72,;14.16,-13.48,;12.83,-12.7,;12.84,-11.16,;11.52,-10.38,;11.52,-8.84,;10.18,-8.07,;8.85,-8.84,;8.87,-10.37,;7.53,-11.13,;6.19,-10.37,;4.86,-11.13,;3.53,-10.37,;3.53,-8.83,;2.2,-8.06,;4.86,-8.05,;6.19,-8.83,;10.19,-11.15,;10.18,-12.68,;8.85,-13.45,;11.5,-13.45,;10.18,-6.52,;8.93,-5.62,;9.41,-4.15,;8.51,-2.9,;10.95,-4.15,;11.43,-5.63,;12.94,-5.95,;13.98,-4.81,;15.12,-5.84,;15.45,-4.34,;13.51,-3.33,;11.99,-3,;11.52,-1.53,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of FITC-GDA binding to human HSP90-beta incubated for 2 hrs by fluorescence polarization assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01700 BindingDB Entry DOI: 10.7270/Q2125X9Q
					More data for this Ligand-Target Pair