BDBM50386010 CHEMBL2042900

SMILES: COc1ccccc1CN(C)C(=O)c1cc2c(Cc3ccccc3)n[nH]c2cc1O

InChI Key: InChIKey=ALKYMMMXFWINNH-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 = 50386010   

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))	BDBM50386010 (CHEMBL2042900) Show SMILES COc1ccccc1CN(C)C(=O)c1cc2c(Cc3ccccc3)n[nH]c2cc1O Show InChI InChI=1S/C24H23N3O3/c1-27(15-17-10-6-7-11-23(17)30-2)24(29)19-13-18-20(12-16-8-4-3-5-9-16)25-26-21(18)14-22(19)28/h3-11,13-14,28H,12,15H2,1-2H3,(H,25,26)	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	1.70E+3	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