BDBM50030860 CHEMBL3342733

SMILES: CC(C)c1cc(-c2noc(NC(=O)C3CC3)c2-c2ccc(CN(C)C3CCCCC3)cc2)c(O)cc1O

InChI Key: InChIKey=VOHTVEKGONPVHC-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50030860   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50030860 (CHEMBL3342733) Show SMILES CC(C)c1cc(-c2noc(NC(=O)C3CC3)c2-c2ccc(CN(C)C3CCCCC3)cc2)c(O)cc1O Show InChI InChI=1S/C30H37N3O4/c1-18(2)23-15-24(26(35)16-25(23)34)28-27(30(37-32-28)31-29(36)21-13-14-21)20-11-9-19(10-12-20)17-33(3)22-7-5-4-6-8-22/h9-12,15-16,18,21-22,34-35H,4-8,13-14,17H2,1-3H3,(H,31,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of HSP90alpha (unknown origin) after 16 hrs by FP enzymatic assay				Eur J Med Chem 87: 765-81 (2014) Article DOI: 10.1016/j.ejmech.2014.09.065 BindingDB Entry DOI: 10.7270/Q2TX3GZV
					More data for this Ligand-Target Pair