Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Heat shock protein HSP 90-alpha' and Ligand = 'BDBM50345161'   

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))	BDBM50345161 (CHEMBL1779541) Show SMILES Cc1c2CCCN3C[C@H](C[C@@H]3CNc3cc(ccc3C(N)=O)-n2c2CC(C)(C)CC(=O)c12)N1CCCC1 |r| Show InChI InChI=1S/C30H41N5O2/c1-19-25-7-6-12-34-18-22(33-10-4-5-11-33)13-21(34)17-32-24-14-20(8-9-23(24)29(31)37)35(25)26-15-30(2,3)16-27(36)28(19)26/h8-9,14,21-22,32H,4-7,10-13,15-18H2,1-3H3,(H2,31,37)/t21-,22+/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	496	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of HSP90alpha after 3 hrs by fluorescence polarization binding assay				Bioorg Med Chem Lett 21: 3627-31 (2011) Article DOI: 10.1016/j.bmcl.2011.04.102 BindingDB Entry DOI: 10.7270/Q2VX0GVP
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