BDBM50480396 CHEMBL551699

SMILES: CSCCNc1cc(ccc1C(N)=O)-n1nc(C)c2c1CC(C)(C)CC2=O

InChI Key: InChIKey=YSRPGILIUALYFU-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 = 50480396   

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))	BDBM50480396 (CHEMBL551699) Show SMILES CSCCNc1cc(ccc1C(N)=O)-n1nc(C)c2c1CC(C)(C)CC2=O Show InChI InChI=1S/C20H26N4O2S/c1-12-18-16(10-20(2,3)11-17(18)25)24(23-12)13-5-6-14(19(21)26)15(9-13)22-7-8-27-4/h5-6,9,22H,7-8,10-11H2,1-4H3,(H2,21,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.26E+5	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