BDBM50114357 CHEMBL3604082

SMILES: COc1cccc2C(=O)C=C(Oc3ccc(F)cc3)C(=O)c12

InChI Key: InChIKey=ZSCAJHOYNMMGGS-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 = 50114357   

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 liver (Homo sapiens (Human))	BDBM50114357 (CHEMBL3604082) Show SMILES COc1cccc2C(=O)C=C(Oc3ccc(F)cc3)C(=O)c12 |t:9| Show InChI InChI=1S/C17H11FO4/c1-21-14-4-2-3-12-13(19)9-15(17(20)16(12)14)22-11-7-5-10(18)6-8-11/h2-9H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.34E+3	n/a	n/a	n/a	n/a	n/a	n/a
Alma Mater Studiorum - University of Bologna Curated by ChEMBL					Assay Description Inhibition of recombinant human GAPDH assessed as oxidative phosphorylation of D-glyceraldehyde-3-phosphate to 1,3-bisphosphoglycerate by spectrophot...				J Med Chem 58: 6422-34 (2015) BindingDB Entry DOI: 10.7270/Q29K4D2N
					More data for this Ligand-Target Pair