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 = 'BDBM50485846'   

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))	BDBM50485846 (CHEMBL2170489) Show SMILES CN1CCOc2cc(Sc3nc4c(N)ncnc4n3CCC3CCN(CC3)C=O)c(Br)cc12 Show InChI InChI=1S/C22H26BrN7O2S/c1-28-8-9-32-17-11-18(15(23)10-16(17)28)33-22-27-19-20(24)25-12-26-21(19)30(22)7-4-14-2-5-29(13-31)6-3-14/h10-14H,2-9H2,1H3,(H2,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	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
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM50485846 (CHEMBL2170489) Show SMILES CN1CCOc2cc(Sc3nc4c(N)ncnc4n3CCC3CCN(CC3)C=O)c(Br)cc12 Show InChI InChI=1S/C22H26BrN7O2S/c1-28-8-9-32-17-11-18(15(23)10-16(17)28)33-22-27-19-20(24)25-12-26-21(19)30(22)7-4-14-2-5-29(13-31)6-3-14/h10-14H,2-9H2,1H3,(H2,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	65	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