BDBM50480385 CHEMBL561498

SMILES: Cc1nn(c2CC(C)(C)CC(=O)c12)-c1ccc(C(N)=O)c(NCc2ccco2)c1

InChI Key: InChIKey=JCZAKUYITGDIHK-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 = 50480385   

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))	BDBM50480385 (CHEMBL561498) Show SMILES Cc1nn(c2CC(C)(C)CC(=O)c12)-c1ccc(C(N)=O)c(NCc2ccco2)c1 Show InChI InChI=1S/C22H24N4O3/c1-13-20-18(10-22(2,3)11-19(20)27)26(25-13)14-6-7-16(21(23)28)17(9-14)24-12-15-5-4-8-29-15/h4-9,24H,10-12H2,1-3H3,(H2,23,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Serenex Inc Curated by ChEMBL					Assay Description Inhibition of Hsp90 in human AU565 cells assessed as Her2 degradation after 24 hrs by high content screening				J Med Chem 52: 4288-305 (2009) Article DOI: 10.1021/jm900230j BindingDB Entry DOI: 10.7270/Q2MK6GQJ
					More data for this Ligand-Target Pair