BDBM50104697 (4-Hexadecanoyl-3-hydroxy-5-oxo-2,5-dihydro-furan-2-yl)-acetic acid methyl ester::CHEMBL109672

SMILES: CCCCCCCCCCCCCCCC(=O)c1c(O)oc(CC(=O)OC)c1O

InChI Key: InChIKey=YCKPCOMGFKMPNZ-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50104697   

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
Dual specificity phosphatase Cdc25B (Mus musculus)	BDBM50104697 ((4-Hexadecanoyl-3-hydroxy-5-oxo-2,5-dihydro-furan-...) Show SMILES CCCCCCCCCCCCCCCC(=O)c1c(O)oc(CC(=O)OC)c1O Show InChI InChI=1S/C23H38O6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(24)21-22(26)19(29-23(21)27)17-20(25)28-2/h26-27H,3-17H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku University Curated by ChEMBL					Assay Description Inhibitory activity against cell division cycle 25B				J Med Chem 44: 3216-22 (2001) BindingDB Entry DOI: 10.7270/Q2WD3ZVR
					More data for this Ligand-Target Pair
Dual specificity protein phosphatase (VHR) (Homo sapiens (Human))	BDBM50104697 ((4-Hexadecanoyl-3-hydroxy-5-oxo-2,5-dihydro-furan-...) Show SMILES CCCCCCCCCCCCCCCC(=O)c1c(O)oc(CC(=O)OC)c1O Show InChI InChI=1S/C23H38O6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(24)21-22(26)19(29-23(21)27)17-20(25)28-2/h26-27H,3-17H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.28E+4	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku University Curated by ChEMBL					Assay Description Inhibitory activity against vaccinia VH1-related phosphatase(VHR)				J Med Chem 44: 3216-22 (2001) BindingDB Entry DOI: 10.7270/Q2WD3ZVR
					More data for this Ligand-Target Pair