BDBM50490759 CHEMBL2335996

SMILES: CS(=O)(=O)Nc1cccc(c1)-c1cc(-c2cccc(F)c2)c(C#N)c(N)n1

InChI Key: InChIKey=JTRFORKMIGOCFI-UHFFFAOYSA-N

Data: 1 EC50

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 = 50490759   

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/90-beta (Homo sapiens (Human))	BDBM50490759 (CHEMBL2335996) Show SMILES CS(=O)(=O)Nc1cccc(c1)-c1cc(-c2cccc(F)c2)c(C#N)c(N)n1 Show InChI InChI=1S/C19H15FN4O2S/c1-27(25,26)24-15-7-3-5-13(9-15)18-10-16(17(11-21)19(22)23-18)12-4-2-6-14(20)8-12/h2-10,24H,1H3,(H2,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Universit£ di Palermo Curated by ChEMBL					Assay Description Inhibition of biotinylated geldanamycin binding to human recombinant Hsp90 ATP binding domain after 60 mins by fluorescence assay				J Med Chem 56: 3424-8 (2013) Article DOI: 10.1021/jm4002023 BindingDB Entry DOI: 10.7270/Q2RR225V
					More data for this Ligand-Target Pair