BDBM50030871 CHEMBL3342586

SMILES: COc1ccc(cc1)-c1c(NC(=O)CC(C)C)onc1-c1cc(Cl)c(O)cc1O

InChI Key: InChIKey=MFKOZLZVTYQGHU-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 = 50030871   

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))	BDBM50030871 (CHEMBL3342586) Show SMILES COc1ccc(cc1)-c1c(NC(=O)CC(C)C)onc1-c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C21H21ClN2O5/c1-11(2)8-18(27)23-21-19(12-4-6-13(28-3)7-5-12)20(24-29-21)14-9-15(22)17(26)10-16(14)25/h4-7,9-11,25-26H,8H2,1-3H3,(H,23,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	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