Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Heat shock protein HSP 90-alpha/90-beta' and Ligand = 'BDBM50480401'   

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-alpha/90-beta (Homo sapiens (Human))	BDBM50480401 (CHEMBL561224) Show SMILES CC1(C)Cc2c(c(nn2-c2ccc(C(N)=O)c(N[C@@H]3CC[C@H](O)CC3)c2)C(F)(F)F)C(=O)C1 |r,wU:18.18,21.22,(6.76,-1.18,;5.24,-.92,;5.77,.53,;3.91,-.15,;2.57,-.92,;2.57,-2.46,;1.11,-2.93,;.2,-1.69,;1.11,-.44,;.63,1.02,;1.66,2.17,;1.19,3.63,;-.32,3.95,;-.8,5.42,;.23,6.56,;-2.3,5.74,;-1.35,2.81,;-2.86,3.13,;-3.89,1.99,;-5.39,2.31,;-6.42,1.16,;-5.95,-.3,;-6.98,-1.45,;-4.44,-.62,;-3.41,.52,;-.88,1.34,;.63,-4.4,;.16,-5.86,;2.1,-4.87,;-.83,-3.92,;3.91,-3.23,;3.91,-4.77,;5.24,-2.46,)| Show InChI InChI=1S/C23H27F3N4O3/c1-22(2)10-17-19(18(32)11-22)20(23(24,25)26)29-30(17)13-5-8-15(21(27)33)16(9-13)28-12-3-6-14(31)7-4-12/h5,8-9,12,14,28,31H,3-4,6-7,10-11H2,1-2H3,(H2,27,33)/t12-,14+	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	2.48E+5	n/a	n/a	n/a	n/a	n/a	n/a
Serenex Inc Curated by ChEMBL					Assay Description Inhibition of Hsp90 in human AU565 cells assessed as Her2 degradation after 24 hrs by high content screening				J Med Chem 52: 4288-305 (2009) Article DOI: 10.1021/jm900230j BindingDB Entry DOI: 10.7270/Q2MK6GQJ
					More data for this Ligand-Target Pair