Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 414.4 BDBM50021134

Wt: 414.4 BDBM50405179

Wt: 414.4 BDBM50225358

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)	BDBM50405179 (CHEMBL2114418) Show SMILES OC(=O)CN1c2ccccc2SC[C@H](N[C@@H](CCc2ccccc2)C(O)=O)C1=O Show InChI InChI=1S/C21H22N2O5S/c24-19(25)12-23-17-8-4-5-9-18(17)29-13-16(20(23)26)22-15(21(27)28)11-10-14-6-2-1-3-7-14/h1-9,15-16,22H,10-13H2,(H,24,25)(H,27,28)/t15-,16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Angiotensin I converting enzyme in rat				J Med Chem 28: 1517-21 (1985) BindingDB Entry DOI: 10.7270/Q2736RGG
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Rattus norvegicus)	BDBM50021134 (2-(5-Carboxymethyl-4-oxo-2,3,4,5-tetrahydro-benzo[...) Show SMILES OC(=O)CN1c2ccccc2SC[C@H](NC(CCc2ccccc2)C(O)=O)C1=O Show InChI InChI=1S/C21H22N2O5S/c24-19(25)12-23-17-8-4-5-9-18(17)29-13-16(20(23)26)22-15(21(27)28)11-10-14-6-2-1-3-7-14/h1-9,15-16,22H,10-13H2,(H,24,25)(H,27,28)/t15?,16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	9.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Angiotensin I converting enzyme in rat				J Med Chem 28: 1517-21 (1985) BindingDB Entry DOI: 10.7270/Q2736RGG
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Rattus norvegicus)	BDBM50225358 (CHEMBL3350310) Show SMILES OC(=O)CN1c2ccccc2SC[C@H](N[C@H](CCc2ccccc2)C(O)=O)C1=O Show InChI InChI=1S/C21H22N2O5S/c24-19(25)12-23-17-8-4-5-9-18(17)29-13-16(20(23)26)22-15(21(27)28)11-10-14-6-2-1-3-7-14/h1-9,15-16,22H,10-13H2,(H,24,25)(H,27,28)/t15-,16+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Angiotensin I converting enzyme in rat				J Med Chem 28: 1517-21 (1985) BindingDB Entry DOI: 10.7270/Q2736RGG
					More data for this Ligand-Target Pair