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 = 'BDBM50182716'   

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))	BDBM50182716 (5-(4-Piperazin-1-yl-1H-pyrazol-3-yl)-biphenyl-2,4-...) Show SMILES Oc1cc(O)c(cc1-c1n[nH]cc1N1CCNCC1)-c1ccccc1 Show InChI InChI=1S/C19H20N4O2/c24-17-11-18(25)15(10-14(17)13-4-2-1-3-5-13)19-16(12-21-22-19)23-8-6-20-7-9-23/h1-5,10-12,20,24-25H,6-9H2,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.50E+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))	BDBM50182716 (5-(4-Piperazin-1-yl-1H-pyrazol-3-yl)-biphenyl-2,4-...) Show SMILES Oc1cc(O)c(cc1-c1n[nH]cc1N1CCNCC1)-c1ccccc1 Show InChI InChI=1S/C19H20N4O2/c24-17-11-18(25)15(10-14(17)13-4-2-1-3-5-13)19-16(12-21-22-19)23-8-6-20-7-9-23/h1-5,10-12,20,24-25H,6-9H2,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.60E+3	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