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 = 'BDBM131822'   

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))	BDBM131822 (US8835464, 6d | US8835464, 7d | US9206162, 7d) Show SMILES CC(C)c1cc(-c2nnc(O)n2-c2ccc(nc2)N(C)C)c(O)cc1O Show InChI InChI=1S/C18H21N5O3/c1-10(2)12-7-13(15(25)8-14(12)24)17-20-21-18(26)23(17)11-5-6-16(19-9-11)22(3)4/h5-10,24-25H,1-4H3,(H,21,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Synta Pharmaceuticals Corp. US Patent					Assay Description Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...				US Patent US9206162 (2015) BindingDB Entry DOI: 10.7270/Q2251H0J
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM131822 (US8835464, 6d | US8835464, 7d | US9206162, 7d) Show SMILES CC(C)c1cc(-c2nnc(O)n2-c2ccc(nc2)N(C)C)c(O)cc1O Show InChI InChI=1S/C18H21N5O3/c1-10(2)12-7-13(15(25)8-14(12)24)17-20-21-18(26)23(17)11-5-6-16(19-9-11)22(3)4/h5-10,24-25H,1-4H3,(H,21,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
Synta Pharmaceuticals Corp. US Patent					Assay Description Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...				US Patent US9206162 (2015) BindingDB Entry DOI: 10.7270/Q2251H0J
					More data for this Ligand-Target Pair