BDBM50490760 CHEMBL2335997

SMILES: COc1ccccc1-c1cc(nc(N)c1C#N)-c1cccc(NS(C)(=O)=O)c1

InChI Key: InChIKey=RZPPQSXTFBHRHH-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 = 50490760   

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))	BDBM50490760 (CHEMBL2335997) Show SMILES COc1ccccc1-c1cc(nc(N)c1C#N)-c1cccc(NS(C)(=O)=O)c1 Show InChI InChI=1S/C20H18N4O3S/c1-27-19-9-4-3-8-15(19)16-11-18(23-20(22)17(16)12-21)13-6-5-7-14(10-13)24-28(2,25)26/h3-11,24H,1-2H3,(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	634	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