Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Heat shock protein HSP 90-beta' and Ligand = 'BDBM50492754'   

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-beta (Homo sapiens (Human))	BDBM50492754 (CHEMBL2413568) Show SMILES O=C(c1ccccc1)c1ccc(Cn2cc(COCc3cn(Cc4ccc(cc4)C(=O)c4ccccc4)nn3)nn2)cc1 Show InChI InChI=1S/C34H28N6O3/c41-33(27-7-3-1-4-8-27)29-15-11-25(12-16-29)19-39-21-31(35-37-39)23-43-24-32-22-40(38-36-32)20-26-13-17-30(18-14-26)34(42)28-9-5-2-6-10-28/h1-18,21-22H,19-20,23-24H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Inhibition of human Hsp90 ATPase activity assessed as inhibition of ATP hydrolysis after 60 mins by fluorimetric analysis				Eur J Med Chem 65: 464-76 (2013) Article DOI: 10.1016/j.ejmech.2013.05.016 BindingDB Entry DOI: 10.7270/Q2P2721F
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50492754 (CHEMBL2413568) Show SMILES O=C(c1ccccc1)c1ccc(Cn2cc(COCc3cn(Cc4ccc(cc4)C(=O)c4ccccc4)nn3)nn2)cc1 Show InChI InChI=1S/C34H28N6O3/c41-33(27-7-3-1-4-8-27)29-15-11-25(12-16-29)19-39-21-31(35-37-39)23-43-24-32-22-40(38-36-32)20-26-13-17-30(18-14-26)34(42)28-9-5-2-6-10-28/h1-18,21-22H,19-20,23-24H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Binding affinity to human Hsp90 by surface plasmon resonance analysis				Eur J Med Chem 65: 464-76 (2013) Article DOI: 10.1016/j.ejmech.2013.05.016 BindingDB Entry DOI: 10.7270/Q2P2721F
					More data for this Ligand-Target Pair