Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Heat shock protein HSP 90-alpha' and Ligand = 'BDBM50349033'   

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))	BDBM50349033 (CHEMBL1807792) Show SMILES C[C@@H]1Nc2cc(ccc2C(N)=O)-n2c3CC(C)(C)CC(=O)c3c(C)c2CCCN(C)[C@H]1C |r| Show InChI InChI=1S/C26H36N4O2/c1-15-21-8-7-11-29(6)17(3)16(2)28-20-12-18(9-10-19(20)25(27)32)30(21)22-13-26(4,5)14-23(31)24(15)22/h9-10,12,16-17,28H,7-8,11,13-14H2,1-6H3,(H2,27,32)/t16-,17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	116	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to HSP90alpha after 3 hrs by fluorescence polarization assay				Bioorg Med Chem Lett 21: 4602-7 (2011) Article DOI: 10.1016/j.bmcl.2011.05.102 BindingDB Entry DOI: 10.7270/Q2833SD5
					More data for this Ligand-Target Pair