BDBM50404360 CHEMBL69085

SMILES: Oc1cccc2cc(-c3ccc4OCOc4c3)c(=O)oc12

InChI Key: InChIKey=GKIIRDUXGPBBLX-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 = 50404360   

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
Glyceraldehyde-3-phosphate dehydrogenase (Homo sapiens (Human))	BDBM50404360 (CHEMBL69085) Show SMILES Oc1cccc2cc(-c3ccc4OCOc4c3)c(=O)oc12 Show InChI InChI=1S/C16H10O5/c17-12-3-1-2-10-6-11(16(18)21-15(10)12)9-4-5-13-14(7-9)20-8-19-13/h1-7,17H,8H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.09E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Minas Gerais Curated by ChEMBL					Assay Description Inhibitory concentration against glyceraldehyde-3-phosphate dehydrogenase was determined as log 1/IC50				Bioorg Med Chem Lett 14: 2199-204 (2004) Article DOI: 10.1016/j.bmcl.2004.02.025 BindingDB Entry DOI: 10.7270/Q20K2810
					More data for this Ligand-Target Pair