BDBM50386046 CHEMBL2042763

SMILES: COc1ccc(CN(C)C(=O)c2cc3c(Cc4cccc(C)c4)n[nH]c3cc2O)cc1

InChI Key: InChIKey=QXYUMAYBJRETAI-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 = 50386046   

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))	BDBM50386046 (CHEMBL2042763) Show SMILES COc1ccc(CN(C)C(=O)c2cc3c(Cc4cccc(C)c4)n[nH]c3cc2O)cc1 Show InChI InChI=1S/C25H25N3O3/c1-16-5-4-6-18(11-16)12-22-20-13-21(24(29)14-23(20)27-26-22)25(30)28(2)15-17-7-9-19(31-3)10-8-17/h4-11,13-14,29H,12,15H2,1-3H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono Research Curated by ChEMBL					Assay Description Displacement of [3H]17AAG from human recombinant Hsp90 after 30 mins by beta scintillation counting				Bioorg Med Chem Lett 22: 4396-403 (2012) Article DOI: 10.1016/j.bmcl.2012.04.121 BindingDB Entry DOI: 10.7270/Q2T154QC
					More data for this Ligand-Target Pair