Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Heat shock protein HSP 90-alpha/90-beta' and Ligand = 'BDBM50182709'   

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))	BDBM50182709 (4-(4-(4-(4-(methylsulfonyl)benzyl)piperazin-1-yl)-...) Show SMILES CS(=O)(=O)c1ccc(CN2CCN(CC2)c2c[nH]nc2-c2cc(CCc3ccccc3)c(O)cc2O)cc1 Show InChI InChI=1S/C29H32N4O4S/c1-38(36,37)24-11-8-22(9-12-24)20-32-13-15-33(16-14-32)26-19-30-31-29(26)25-17-23(27(34)18-28(25)35)10-7-21-5-3-2-4-6-21/h2-6,8-9,11-12,17-19,34-35H,7,10,13-16,20H2,1H3,(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis Ltd Curated by ChEMBL					Assay Description Inhibition of HSP90 by FP assay				Bioorg Med Chem Lett 16: 2543-8 (2006) Article DOI: 10.1016/j.bmcl.2006.01.099 BindingDB Entry DOI: 10.7270/Q2G44PWS
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM50182709 (4-(4-(4-(4-(methylsulfonyl)benzyl)piperazin-1-yl)-...) Show SMILES CS(=O)(=O)c1ccc(CN2CCN(CC2)c2c[nH]nc2-c2cc(CCc3ccccc3)c(O)cc2O)cc1 Show InChI InChI=1S/C29H32N4O4S/c1-38(36,37)24-11-8-22(9-12-24)20-32-13-15-33(16-14-32)26-19-30-31-29(26)25-17-23(27(34)18-28(25)35)10-7-21-5-3-2-4-6-21/h2-6,8-9,11-12,17-19,34-35H,7,10,13-16,20H2,1H3,(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.18E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis Ltd Curated by ChEMBL					Assay Description Inhibition of HSP90 ATPase activity				Bioorg Med Chem Lett 16: 2543-8 (2006) Article DOI: 10.1016/j.bmcl.2006.01.099 BindingDB Entry DOI: 10.7270/Q2G44PWS
					More data for this Ligand-Target Pair