BDBM50490764 CHEMBL2336003

SMILES: CCN(CC)c1ccc(cc1)-c1cc(nc(N)c1C#N)-c1cccc(NS(C)(=O)=O)c1

InChI Key: InChIKey=BXBAIGQBEQKOFS-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 = 50490764   

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))	BDBM50490764 (CHEMBL2336003) Show SMILES CCN(CC)c1ccc(cc1)-c1cc(nc(N)c1C#N)-c1cccc(NS(C)(=O)=O)c1 Show InChI InChI=1S/C23H25N5O2S/c1-4-28(5-2)19-11-9-16(10-12-19)20-14-22(26-23(25)21(20)15-24)17-7-6-8-18(13-17)27-31(3,29)30/h6-14,27H,4-5H2,1-3H3,(H2,25,26)	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	783	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