Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Heat shock protein HSP 90-alpha' and Ligand = 'BDBM50349042'   

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))	BDBM50349042 (CHEMBL1807801) Show SMILES C[C@@H]1CN(CCc2c(C)c3c(CC(C)(C)CC3=O)n2-c2ccc(C(N)=O)c(N[C@H]1C)c2)C(=O)CO |r| Show InChI InChI=1S/C27H36N4O4/c1-15-13-30(24(34)14-32)9-8-21-16(2)25-22(11-27(4,5)12-23(25)33)31(21)18-6-7-19(26(28)35)20(10-18)29-17(15)3/h6-7,10,15,17,29,32H,8-9,11-14H2,1-5H3,(H2,28,35)/t15-,17+/m1/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	66	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
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