Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 430.5 BDBM50021782Purchase

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

Found 5 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)	BDBM50021782 ((RSR)1-[2-(1-Ethoxycarbonyl-3-phenyl-propylamino)-...) Show SMILES CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(O)=O Show InChI InChI=1S/C24H34N2O5/c1-3-31-24(30)19(14-13-17-9-5-4-6-10-17)25-16(2)22(27)26-20-12-8-7-11-18(20)15-21(26)23(28)29/h4-6,9-10,16,18-21,25H,3,7-8,11-15H2,1-2H3,(H,28,29)/t16?,18-,19?,20-,21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	170	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)	BDBM50021782 ((RSR)1-[2-(1-Ethoxycarbonyl-3-phenyl-propylamino)-...) Show SMILES CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(O)=O Show InChI InChI=1S/C24H34N2O5/c1-3-31-24(30)19(14-13-17-9-5-4-6-10-17)25-16(2)22(27)26-20-12-8-7-11-18(20)15-21(26)23(28)29/h4-6,9-10,16,18-21,25H,3,7-8,11-15H2,1-2H3,(H,28,29)/t16?,18-,19?,20-,21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	170	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)	BDBM50021782 ((RSR)1-[2-(1-Ethoxycarbonyl-3-phenyl-propylamino)-...) Show SMILES CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(O)=O Show InChI InChI=1S/C24H34N2O5/c1-3-31-24(30)19(14-13-17-9-5-4-6-10-17)25-16(2)22(27)26-20-12-8-7-11-18(20)15-21(26)23(28)29/h4-6,9-10,16,18-21,25H,3,7-8,11-15H2,1-2H3,(H,28,29)/t16?,18-,19?,20-,21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.70E+4	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)	BDBM50021782 ((RSR)1-[2-(1-Ethoxycarbonyl-3-phenyl-propylamino)-...) Show SMILES CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(O)=O Show InChI InChI=1S/C24H34N2O5/c1-3-31-24(30)19(14-13-17-9-5-4-6-10-17)25-16(2)22(27)26-20-12-8-7-11-18(20)15-21(26)23(28)29/h4-6,9-10,16,18-21,25H,3,7-8,11-15H2,1-2H3,(H,28,29)/t16?,18-,19?,20-,21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.70E+4	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)	BDBM50021782 ((RSR)1-[2-(1-Ethoxycarbonyl-3-phenyl-propylamino)-...) Show SMILES CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(O)=O Show InChI InChI=1S/C24H34N2O5/c1-3-31-24(30)19(14-13-17-9-5-4-6-10-17)25-16(2)22(27)26-20-12-8-7-11-18(20)15-21(26)23(28)29/h4-6,9-10,16,18-21,25H,3,7-8,11-15H2,1-2H3,(H,28,29)/t16?,18-,19?,20-,21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	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