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 = 'BDBM50480376'   

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))	BDBM50480376 (CHEMBL558876) Show SMILES CC1(C)Cc2c(c(CC3CC3)nn2-c2ccc(C(N)=O)c(N[C@H]3CC[C@H](O)CC3)c2)C(=O)C1 |r,wU:22.23,wD:25.27,(-2.35,-2,;-2.38,-.77,;-3.43,-.12,;-1.03,-1.55,;.3,-.77,;.3,.77,;1.76,1.24,;2.24,2.7,;3.75,3.01,;4.8,4.02,;5.12,2.51,;2.66,.02,;1.76,-1.24,;2.24,-2.7,;1.13,-3.76,;1.5,-5.26,;2.98,-5.68,;3.35,-7.18,;4.53,-7.52,;2.46,-8.03,;4.09,-4.62,;5.57,-5.04,;6.68,-3.97,;6.3,-2.47,;7.41,-1.4,;8.89,-1.82,;9.77,-.96,;9.27,-3.32,;8.16,-4.39,;3.72,-3.12,;-1.03,1.55,;-1.03,2.79,;-2.38,.77,)| Show InChI InChI=1S/C26H34N4O3/c1-26(2)13-22-24(23(32)14-26)21(11-15-3-4-15)29-30(22)17-7-10-19(25(27)33)20(12-17)28-16-5-8-18(31)9-6-16/h7,10,12,15-16,18,28,31H,3-6,8-9,11,13-14H2,1-2H3,(H2,27,33)/t16-,18-	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.60E+4	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