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 = 'BDBM50182703'   

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))	BDBM50182703 (4-bromo-6-(4-(4-(ethylamino)piperidin-1-yl)-1H-pyr...) Show SMILES CCNC1CCN(CC1)c1c[nH]nc1-c1cc(Br)c(O)cc1O Show InChI InChI=1S/C16H21BrN4O2/c1-2-18-10-3-5-21(6-4-10)13-9-19-20-16(13)11-7-12(17)15(23)8-14(11)22/h7-10,18,22-23H,2-6H2,1H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.60E+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))	BDBM50182703 (4-bromo-6-(4-(4-(ethylamino)piperidin-1-yl)-1H-pyr...) Show SMILES CCNC1CCN(CC1)c1c[nH]nc1-c1cc(Br)c(O)cc1O Show InChI InChI=1S/C16H21BrN4O2/c1-2-18-10-3-5-21(6-4-10)13-9-19-20-16(13)11-7-12(17)15(23)8-14(11)22/h7-10,18,22-23H,2-6H2,1H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.61E+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