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 = 'BDBM50182705'   

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))	BDBM50182705 (4-chloro-6-(4-(4-ethylpiperazin-1-yl)-1H-pyrazol-3...) Show SMILES CCN1CCN(CC1)c1c[nH]nc1-c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C15H19ClN4O2/c1-2-19-3-5-20(6-4-19)12-9-17-18-15(12)10-7-11(16)14(22)8-13(10)21/h7-9,21-22H,2-6H2,1H3,(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	4.30E+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))	BDBM50182705 (4-chloro-6-(4-(4-ethylpiperazin-1-yl)-1H-pyrazol-3...) Show SMILES CCN1CCN(CC1)c1c[nH]nc1-c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C15H19ClN4O2/c1-2-19-3-5-20(6-4-19)12-9-17-18-15(12)10-7-11(16)14(22)8-13(10)21/h7-9,21-22H,2-6H2,1H3,(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	1.17E+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