Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Heat shock protein HSP 90-alpha' and Ligand = 'BDBM81729'   

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))	BDBM81729 (HSP90 Inhibitor, 1 | hsp90_125) Show SMILES Nc1nc(N)nc(n1)-c1cc2ccccc2cc1Br Show InChI InChI=1S/C13H10BrN5/c14-10-6-8-4-2-1-3-7(8)5-9(10)11-17-12(15)19-13(16)18-11/h1-6H,(H4,15,16,17,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents	MMDB PDB Article PubMed	320	-37.1	n/a	n/a	n/a	n/a	n/a	7.5	25
Abbott Laboratories					Assay Description HSP90 inhibitors identified using Fluorescence resonance energy transfer assay.				Chem Biol Drug Des 70: 1-12 (2007) Article DOI: 10.1111/j.1747-0285.2007.00535.x BindingDB Entry DOI: 10.7270/Q25X27DH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM81729 (HSP90 Inhibitor, 1 | hsp90_125) Show SMILES Nc1nc(N)nc(n1)-c1cc2ccccc2cc1Br Show InChI InChI=1S/C13H10BrN5/c14-10-6-8-4-2-1-3-7(8)5-9(10)11-17-12(15)19-13(16)18-11/h1-6H,(H4,15,16,17,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents	MMDB PDB Article PubMed	n/a	n/a	n/a	<1.00E+4	n/a	n/a	n/a	7.5	25
Abbott Laboratories					Assay Description HSP90 inhibitors identified using NMR fragment-based screening assay.				Chem Biol Drug Des 70: 1-12 (2007) Article DOI: 10.1111/j.1747-0285.2007.00535.x BindingDB Entry DOI: 10.7270/Q25X27DH
					More data for this Ligand-Target Pair				3D Structure (crystal)