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 = 'BDBM50182702'   

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))	BDBM50182702 (4-chloro-6-(5-methyl-4-(piperazin-1-yl)-1H-pyrazol...) Show SMILES Cc1[nH]nc(c1N1CCNCC1)-c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C14H17ClN4O2/c1-8-14(19-4-2-16-3-5-19)13(18-17-8)9-6-10(15)12(21)7-11(9)20/h6-7,16,20-21H,2-5H2,1H3,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.00E+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))	BDBM50182702 (4-chloro-6-(5-methyl-4-(piperazin-1-yl)-1H-pyrazol...) Show SMILES Cc1[nH]nc(c1N1CCNCC1)-c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C14H17ClN4O2/c1-8-14(19-4-2-16-3-5-19)13(18-17-8)9-6-10(15)12(21)7-11(9)20/h6-7,16,20-21H,2-5H2,1H3,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.83E+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