Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 410.4 BDBM50406337

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Aldehyde dehydrogenase family 1 member A3 (Homo sapiens (Human))	BDBM50406337 (CHEMBL5271934) Show SMILES CC(C)(C)C(=O)Oc1ccc2oc(cc2c1)S(N)(=O)=O Show InChI InChI=1S/C13H15NO5S/c1-13(2,3)12(15)18-9-4-5-10-8(6-9)7-11(19-10)20(14,16)17/h4-7H,1-3H3,(H2,14,16,17)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of squalene synthase				Citation and Details
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase family 1 member A3 (Homo sapiens (Human))	BDBM50406337 (CHEMBL5271934) Show SMILES CC(C)(C)C(=O)Oc1ccc2oc(cc2c1)S(N)(=O)=O Show InChI InChI=1S/C13H15NO5S/c1-13(2,3)12(15)18-9-4-5-10-8(6-9)7-11(19-10)20(14,16)17/h4-7H,1-3H3,(H2,14,16,17)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In vitro inhibition of human dihydrofolate reductase				Citation and Details
					More data for this Ligand-Target Pair
Retinal dehydrogenase 2 (Homo sapiens (Human))	BDBM50406337 (CHEMBL5271934) Show SMILES CC(C)(C)C(=O)Oc1ccc2oc(cc2c1)S(N)(=O)=O Show InChI InChI=1S/C13H15NO5S/c1-13(2,3)12(15)18-9-4-5-10-8(6-9)7-11(19-10)20(14,16)17/h4-7H,1-3H3,(H2,14,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In vitro inhibition of human dihydrofolate reductase				Citation and Details
					More data for this Ligand-Target Pair