BDBM50361727 CHEMBL1941076

SMILES: CCNC(=O)c1noc(c1NC(=O)c1ccc2ncoc2c1)-c1cc(C(C)C)c(O)cc1O

InChI Key: InChIKey=JYBQWXLFLUGABE-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 = 50361727   

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-beta (Homo sapiens (Human))	BDBM50361727 (CHEMBL1941076) Show SMILES CCNC(=O)c1noc(c1NC(=O)c1ccc2ncoc2c1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C23H22N4O6/c1-4-24-23(31)20-19(26-22(30)12-5-6-15-18(7-12)32-10-25-15)21(33-27-20)14-8-13(11(2)3)16(28)9-17(14)29/h5-11,28-29H,4H2,1-3H3,(H,24,31)(H,26,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Ferrara Curated by ChEMBL					Assay Description Binding affinity to Hsp90 after 4 hrs by fluorescence polarization assay				J Med Chem 54: 8592-604 (2011) Article DOI: 10.1021/jm201155e BindingDB Entry DOI: 10.7270/Q2QF8T9M
					More data for this Ligand-Target Pair