Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 271.3 BDBM50021795

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
Angiotensin-converting enzyme (Rattus norvegicus)	BDBM50021795 ((R,R+S,S) 1-(3-Mercapto-2-methyl-propionyl)-octahy...) Show SMILES CC(CS)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(O)=O Show InChI InChI=1S/C13H21NO3S/c1-8(7-18)12(15)14-10-5-3-2-4-9(10)6-11(14)13(16)17/h8-11,18H,2-7H2,1H3,(H,16,17)/t8?,9-,10-,11-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of rat Angiotensin I converting enzyme (ACE), using Hip-Gly-Gly as synthetic substrate.				J Med Chem 30: 992-8 (1987) BindingDB Entry DOI: 10.7270/Q29C6Z02
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Rattus norvegicus)	BDBM50021795 ((R,R+S,S) 1-(3-Mercapto-2-methyl-propionyl)-octahy...) Show SMILES CC(CS)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(O)=O Show InChI InChI=1S/C13H21NO3S/c1-8(7-18)12(15)14-10-5-3-2-4-9(10)6-11(14)13(16)17/h8-11,18H,2-7H2,1H3,(H,16,17)/t8?,9-,10-,11-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of rat Angiotensin I converting enzyme (ACE), using Hip-Gly-Gly as synthetic substrate.				J Med Chem 30: 992-8 (1987) BindingDB Entry DOI: 10.7270/Q29C6Z02
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Rattus norvegicus)	BDBM50021795 ((R,R+S,S) 1-(3-Mercapto-2-methyl-propionyl)-octahy...) Show SMILES CC(CS)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(O)=O Show InChI InChI=1S/C13H21NO3S/c1-8(7-18)12(15)14-10-5-3-2-4-9(10)6-11(14)13(16)17/h8-11,18H,2-7H2,1H3,(H,16,17)/t8?,9-,10-,11-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of rat Angiotensin I converting enzyme (ACE), using Hip-Gly-Gly as synthetic substrate.				J Med Chem 30: 992-8 (1987) BindingDB Entry DOI: 10.7270/Q29C6Z02
					More data for this Ligand-Target Pair