BDBM50361679 CHEMBL1940922

SMILES: COc1ccc(cc1)C(=O)Nc1c(noc1-c1cc(Cl)c(O)cc1O)C(=O)NCC(F)(F)F

InChI Key: InChIKey=HRPBHBHGGWTKSC-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 = 50361679   

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-beta (Homo sapiens (Human))	BDBM50361679 (CHEMBL1940922) Show SMILES COc1ccc(cc1)C(=O)Nc1c(noc1-c1cc(Cl)c(O)cc1O)C(=O)NCC(F)(F)F Show InChI InChI=1S/C20H15ClF3N3O6/c1-32-10-4-2-9(3-5-10)18(30)26-15-16(19(31)25-8-20(22,23)24)27-33-17(15)11-6-12(21)14(29)7-13(11)28/h2-7,28-29H,8H2,1H3,(H,25,31)(H,26,30)	PDB MMDB 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	160	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Ferrara Curated by ChEMBL					Assay Description Binding affinity to Hsp90 after 4 hrs by fluorescence polarization assay				J Med Chem 54: 8592-604 (2011) Article DOI: 10.1021/jm201155e BindingDB Entry DOI: 10.7270/Q2QF8T9M
					More data for this Ligand-Target Pair