Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 243.3 BDBM50021297

Wt: 243.3 BDBM50021319

Wt: 243.3 BDBM50021301

Wt: 243.3 BDBM50021303

Wt: 243.3 BDBM50021308

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

Found 7 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 (Homo sapiens (Human))	BDBM50021308 (1-(2-Mercapto-cyclopentanecarbonyl)-pyrrolidine-2-...) Show SMILES OC(=O)[C@@H]1CCCN1C(=O)C1CCCC1S Show InChI InChI=1S/C11H17NO3S/c13-10(7-3-1-5-9(7)16)12-6-2-4-8(12)11(14)15/h7-9,16H,1-6H2,(H,14,15)/t7?,8-,9?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by ChEMBL					Assay Description Inhibitory activity against angiotensin converting enzyme (ACE)				J Med Chem 36: 2390-403 (1993) BindingDB Entry DOI: 10.7270/Q2Z320V9
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50021297 (1-(2-Mercapto-cyclopentanecarbonyl)-pyrrolidine-2-...) Show SMILES OC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC[C@@H]1S Show InChI InChI=1S/C11H17NO3S/c13-10(7-3-1-5-9(7)16)12-6-2-4-8(12)11(14)15/h7-9,16H,1-6H2,(H,14,15)/t7-,8+,9+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of angiotensin I converting enzyme in silico				J Med Chem 40: 3161-72 (1997) Article DOI: 10.1021/jm970211n BindingDB Entry DOI: 10.7270/Q2MG7QPB
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Rattus norvegicus)	BDBM50021303 (1-(2-Mercapto-cyclopentanecarbonyl)-pyrrolidine-2-...) Show SMILES OC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC[C@H]1S Show InChI InChI=1S/C11H17NO3S/c13-10(7-3-1-5-9(7)16)12-6-2-4-8(12)11(14)15/h7-9,16H,1-6H2,(H,14,15)/t7-,8+,9-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.11E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against Angiotensin I converting enzyme				J Med Chem 29: 411-7 (1986) BindingDB Entry DOI: 10.7270/Q218372M
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Rattus norvegicus)	BDBM50021308 (1-(2-Mercapto-cyclopentanecarbonyl)-pyrrolidine-2-...) Show SMILES OC(=O)[C@@H]1CCCN1C(=O)C1CCCC1S Show InChI InChI=1S/C11H17NO3S/c13-10(7-3-1-5-9(7)16)12-6-2-4-8(12)11(14)15/h7-9,16H,1-6H2,(H,14,15)/t7?,8-,9?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.64E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against Angiotensin I converting enzyme				J Med Chem 29: 411-7 (1986) BindingDB Entry DOI: 10.7270/Q218372M
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Rattus norvegicus)	BDBM50021297 (1-(2-Mercapto-cyclopentanecarbonyl)-pyrrolidine-2-...) Show SMILES OC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC[C@@H]1S Show InChI InChI=1S/C11H17NO3S/c13-10(7-3-1-5-9(7)16)12-6-2-4-8(12)11(14)15/h7-9,16H,1-6H2,(H,14,15)/t7-,8+,9+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.95E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against Angiotensin I converting enzyme				J Med Chem 29: 411-7 (1986) BindingDB Entry DOI: 10.7270/Q218372M
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Rattus norvegicus)	BDBM50021319 (1-(2-Mercapto-cyclopentanecarbonyl)-pyrrolidine-2-...) Show SMILES OC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCC[C@@H]1S Show InChI InChI=1S/C11H17NO3S/c13-10(7-3-1-5-9(7)16)12-6-2-4-8(12)11(14)15/h7-9,16H,1-6H2,(H,14,15)/t7-,8-,9-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.43E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against Angiotensin I converting enzyme				J Med Chem 29: 411-7 (1986) BindingDB Entry DOI: 10.7270/Q218372M
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Rattus norvegicus)	BDBM50021301 (1-(2-Mercapto-cyclopentanecarbonyl)-pyrrolidine-2-...) Show SMILES OC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCC[C@H]1S Show InChI InChI=1S/C11H17NO3S/c13-10(7-3-1-5-9(7)16)12-6-2-4-8(12)11(14)15/h7-9,16H,1-6H2,(H,14,15)/t7-,8-,9+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.06E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against Angiotensin I converting enzyme				J Med Chem 29: 411-7 (1986) BindingDB Entry DOI: 10.7270/Q218372M
					More data for this Ligand-Target Pair