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 = 'BDBM50182713'   

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))	BDBM50182713 (4-(4-(4-(4-(methylsulfonyl)benzylamino)piperidin-1...) Show SMILES CS(=O)(=O)c1ccc(CNC2CCN(CC2)c2c[nH]nc2-c2cc(Br)c(O)cc2O)cc1 Show InChI InChI=1S/C22H25BrN4O4S/c1-32(30,31)16-4-2-14(3-5-16)12-24-15-6-8-27(9-7-15)19-13-25-26-22(19)17-10-18(23)21(29)11-20(17)28/h2-5,10-11,13,15,24,28-29H,6-9,12H2,1H3,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.39E+4	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))	BDBM50182713 (4-(4-(4-(4-(methylsulfonyl)benzylamino)piperidin-1...) Show SMILES CS(=O)(=O)c1ccc(CNC2CCN(CC2)c2c[nH]nc2-c2cc(Br)c(O)cc2O)cc1 Show InChI InChI=1S/C22H25BrN4O4S/c1-32(30,31)16-4-2-14(3-5-16)12-24-15-6-8-27(9-7-15)19-13-25-26-22(19)17-10-18(23)21(29)11-20(17)28/h2-5,10-11,13,15,24,28-29H,6-9,12H2,1H3,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.03E+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