Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Heat shock protein HSP 90-alpha' and Ligand = 'BDBM50347493'   

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 (Homo sapiens (Human))	BDBM50347493 (CHEMBL1801576 | hsp90_33) Show SMILES Oc1cc(O)c(cc1Cl)-n1c2ccc(CNC(=O)Nc3ccccc3)cc2[nH]c1=O |(12.44,-30.5,;11.98,-31.97,;10.47,-32.31,;10.01,-33.77,;8.5,-34.11,;11.04,-34.9,;12.55,-34.58,;13.02,-33.11,;14.52,-32.78,;10.57,-36.36,;9.11,-36.85,;7.77,-36.09,;6.44,-36.86,;6.44,-38.4,;5.11,-39.17,;3.78,-38.4,;2.44,-39.17,;1.11,-38.4,;2.44,-40.71,;1.11,-41.48,;-.23,-40.7,;-1.56,-41.47,;-1.56,-43.01,;-.22,-43.78,;1.11,-43.01,;7.78,-39.17,;9.12,-38.39,;10.59,-38.86,;11.49,-37.61,;13.03,-37.6,)| Show InChI InChI=1S/C21H17ClN4O4/c22-14-9-17(19(28)10-18(14)27)26-16-7-6-12(8-15(16)25-21(26)30)11-23-20(29)24-13-4-2-1-3-5-13/h1-10,27-28H,11H2,(H,25,30)(H2,23,24,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity to Hsp90alpha N-terminal ATPase domain by TR-FRET assay based competitive binding assay				Bioorg Med Chem Lett 20: 7503-6 (2010) Article DOI: 10.1016/j.bmcl.2010.10.010 BindingDB Entry DOI: 10.7270/Q2JS9QSX
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50347493 (CHEMBL1801576 | hsp90_33) Show SMILES Oc1cc(O)c(cc1Cl)-n1c2ccc(CNC(=O)Nc3ccccc3)cc2[nH]c1=O |(12.44,-30.5,;11.98,-31.97,;10.47,-32.31,;10.01,-33.77,;8.5,-34.11,;11.04,-34.9,;12.55,-34.58,;13.02,-33.11,;14.52,-32.78,;10.57,-36.36,;9.11,-36.85,;7.77,-36.09,;6.44,-36.86,;6.44,-38.4,;5.11,-39.17,;3.78,-38.4,;2.44,-39.17,;1.11,-38.4,;2.44,-40.71,;1.11,-41.48,;-.23,-40.7,;-1.56,-41.47,;-1.56,-43.01,;-.22,-43.78,;1.11,-43.01,;7.78,-39.17,;9.12,-38.39,;10.59,-38.86,;11.49,-37.61,;13.03,-37.6,)| Show InChI InChI=1S/C21H17ClN4O4/c22-14-9-17(19(28)10-18(14)27)26-16-7-6-12(8-15(16)25-21(26)30)11-23-20(29)24-13-4-2-1-3-5-13/h1-10,27-28H,11H2,(H,25,30)(H2,23,24,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.54E+4	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Hsp90alpha ATPase activity by malachite green ATP-ase assay				Bioorg Med Chem Lett 20: 7503-6 (2010) Article DOI: 10.1016/j.bmcl.2010.10.010 BindingDB Entry DOI: 10.7270/Q2JS9QSX
					More data for this Ligand-Target Pair