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 = 'BDBM50485826'   

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))	BDBM50485826 (CHEMBL2170452) Show SMILES Nc1ncnc2n(CCC3CCOCC3)c(Sc3cc4OCOc4cc3Br)nc12 Show InChI InChI=1S/C19H20BrN5O3S/c20-12-7-13-14(28-10-27-13)8-15(12)29-19-24-16-17(21)22-9-23-18(16)25(19)4-1-11-2-5-26-6-3-11/h7-9,11H,1-6,10H2,(H2,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Myrexis Inc. Curated by ChEMBL					Assay Description Inhibition of human HSP90 using BODIPY labelled geldanamycin as substrate by fluorescence polarization assay				J Med Chem 55: 7480-501 (2012) Article DOI: 10.1021/jm3004619 BindingDB Entry DOI: 10.7270/Q2CC13JM
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM50485826 (CHEMBL2170452) Show SMILES Nc1ncnc2n(CCC3CCOCC3)c(Sc3cc4OCOc4cc3Br)nc12 Show InChI InChI=1S/C19H20BrN5O3S/c20-12-7-13-14(28-10-27-13)8-15(12)29-19-24-16-17(21)22-9-23-18(16)25(19)4-1-11-2-5-26-6-3-11/h7-9,11H,1-6,10H2,(H2,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Myrexis Inc. Curated by ChEMBL					Assay Description Inhibition of human HSP90 in HCT116 cells expressing Her2 gene assessed as degradation of Her2 after 4 hrs by luciferase reporter gene assay				J Med Chem 55: 7480-501 (2012) Article DOI: 10.1021/jm3004619 BindingDB Entry DOI: 10.7270/Q2CC13JM
					More data for this Ligand-Target Pair