BDBM50048388 CHEMBL3309982

SMILES: COc1ccc(Cc2nc3ccccc3c3nc(N)nn23)c(OC)c1

InChI Key: InChIKey=LEJYGUKUDQAMDM-UHFFFAOYSA-N

Data: 1 KI

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 = 50048388   

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))	BDBM50048388 (CHEMBL3309982) Show SMILES COc1ccc(Cc2nc3ccccc3c3nc(N)nn23)c(OC)c1 Show InChI InChI=1S/C18H17N5O2/c1-24-12-8-7-11(15(10-12)25-2)9-16-20-14-6-4-3-5-13(14)17-21-18(19)22-23(16)17/h3-8,10H,9H2,1-2H3,(H2,19,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Curated by ChEMBL					Assay Description Inhibition of Hsp90 (unknown origin) by NMR FAXS screening method				Bioorg Med Chem 22: 4135-50 (2014) Article DOI: 10.1016/j.bmc.2014.05.056 BindingDB Entry DOI: 10.7270/Q2S46TMD
					More data for this Ligand-Target Pair