Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 265.3 BDBM50027701

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

Found 1 hit 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
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50027701 (2-(3-Mercapto-propionyl)-1,2,3,4-tetrahydro-isoqui...) Show SMILES OC(=O)C1Cc2ccccc2CN1C(=O)CCS Show InChI InChI=1S/C13H15NO3S/c15-12(5-6-18)14-8-10-4-2-1-3-9(10)7-11(14)13(16)17/h1-4,11,18H,5-8H2,(H,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of Angiotensin I converting enzyme				J Med Chem 26: 1267-77 (1983) BindingDB Entry DOI: 10.7270/Q29024B9
					More data for this Ligand-Target Pair