BDBM50386023 CHEMBL2042862

SMILES: COc1cccc(CN(C)C(=O)c2cc3c(Cc4ccccc4)n[nH]c3cc2O)c1OC

InChI Key: InChIKey=JSCREBVYSIQJTI-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 = 50386023   

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))	BDBM50386023 (CHEMBL2042862) Show SMILES COc1cccc(CN(C)C(=O)c2cc3c(Cc4ccccc4)n[nH]c3cc2O)c1OC Show InChI InChI=1S/C25H25N3O4/c1-28(15-17-10-7-11-23(31-2)24(17)32-3)25(30)19-13-18-20(12-16-8-5-4-6-9-16)26-27-21(18)14-22(19)29/h4-11,13-14,29H,12,15H2,1-3H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	470	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