Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Heat shock protein HSP 90-alpha' and Ligand = 'BDBM50031736'   

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))	BDBM50031736 (CHEMBL3360304) Show SMILES COc1cccc(n1)-c1ccccc1[C@H]1Cc2nc(N)nc(C)c2C(=O)N1 |r| Show InChI InChI=1S/C20H19N5O2/c1-11-18-16(25-20(21)22-11)10-15(24-19(18)26)13-7-4-3-6-12(13)14-8-5-9-17(23-14)27-2/h3-9,15H,10H2,1-2H3,(H,24,26)(H2,21,22,25)/t15-/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	19	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged HSP90-alpha (unknown origin) after 2 hrs by spectrophotometry				J Med Chem 57: 9124-9 (2014) Article DOI: 10.1021/jm501107q BindingDB Entry DOI: 10.7270/Q2M90B81
					More data for this Ligand-Target Pair