Compile Data Set for Download or QSAR
Found 8 Enz. Inhib. hit(s) for PDB: 1O86
TargetAngiotensin-converting enzyme(Homo sapiens (Human))
Institute of Biomedical Chemistry of Russian Academy of Medical Sciences

Curated by ChEMBL
LigandPNGBDBM50367879(LISINOPRIL)
Show SMILES NCCCC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C21H31N3O5/c22-13-5-4-9-16(19(25)24-14-6-10-18(24)21(28)29)23-17(20(26)27)12-11-15-7-2-1-3-8-15/h1-3,7-8,16-18,23H,4-6,9-14,22H2,(H,26,27)(H,28,29)/t16-,17-,18-/m0/s1
Affinity DataIC50: 0.100nMAssay Description:Inhibitory activity against Angiotensin I converting enzyme (ACE) from human blood serumMore data for this Ligand-Target Pair
TargetAngiotensin-converting enzyme(Homo sapiens (Human))
Institute of Biomedical Chemistry of Russian Academy of Medical Sciences

Curated by ChEMBL
LigandPNGBDBM50367879(LISINOPRIL)
Show SMILES NCCCC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C21H31N3O5/c22-13-5-4-9-16(19(25)24-14-6-10-18(24)21(28)29)23-17(20(26)27)12-11-15-7-2-1-3-8-15/h1-3,7-8,16-18,23H,4-6,9-14,22H2,(H,26,27)(H,28,29)/t16-,17-,18-/m0/s1
Affinity DataIC50: 0.100nMAssay Description:Inhibition of human serum ACEMore data for this Ligand-Target Pair
TargetAngiotensin-converting enzyme(Homo sapiens (Human))
Institute of Biomedical Chemistry of Russian Academy of Medical Sciences

Curated by ChEMBL
LigandPNGBDBM50367879(LISINOPRIL)
Show SMILES NCCCC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C21H31N3O5/c22-13-5-4-9-16(19(25)24-14-6-10-18(24)21(28)29)23-17(20(26)27)12-11-15-7-2-1-3-8-15/h1-3,7-8,16-18,23H,4-6,9-14,22H2,(H,26,27)(H,28,29)/t16-,17-,18-/m0/s1
Affinity DataIC50: 1.20nMAssay Description:Inhibition of Angiotensin I converting enzyme (ACE) in Bothrops jararaca venomMore data for this Ligand-Target Pair
TargetAngiotensin-converting enzyme(Homo sapiens (Human))
Institute of Biomedical Chemistry of Russian Academy of Medical Sciences

Curated by ChEMBL
LigandPNGBDBM50367879(LISINOPRIL)
Show SMILES NCCCC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C21H31N3O5/c22-13-5-4-9-16(19(25)24-14-6-10-18(24)21(28)29)23-17(20(26)27)12-11-15-7-2-1-3-8-15/h1-3,7-8,16-18,23H,4-6,9-14,22H2,(H,26,27)(H,28,29)/t16-,17-,18-/m0/s1
Affinity DataIC50: 1.20nMAssay Description:Inhibitory activity against angiotensin converting enzyme (ACE)More data for this Ligand-Target Pair
TargetAngiotensin-converting enzyme(Homo sapiens (Human))
Institute of Biomedical Chemistry of Russian Academy of Medical Sciences

Curated by ChEMBL
LigandPNGBDBM50367879(LISINOPRIL)
Show SMILES NCCCC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C21H31N3O5/c22-13-5-4-9-16(19(25)24-14-6-10-18(24)21(28)29)23-17(20(26)27)12-11-15-7-2-1-3-8-15/h1-3,7-8,16-18,23H,4-6,9-14,22H2,(H,26,27)(H,28,29)/t16-,17-,18-/m0/s1
Affinity DataIC50: 1.20nMAssay Description:Inhibition of Angiotensin I converting enzymeMore data for this Ligand-Target Pair
TargetAngiotensin-converting enzyme(Homo sapiens (Human))
Institute of Biomedical Chemistry of Russian Academy of Medical Sciences

Curated by ChEMBL
LigandPNGBDBM50367879(LISINOPRIL)
Show SMILES NCCCC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C21H31N3O5/c22-13-5-4-9-16(19(25)24-14-6-10-18(24)21(28)29)23-17(20(26)27)12-11-15-7-2-1-3-8-15/h1-3,7-8,16-18,23H,4-6,9-14,22H2,(H,26,27)(H,28,29)/t16-,17-,18-/m0/s1
Affinity DataIC50: 3.98nMAssay Description:Inhibition of angiotensin I converting enzyme in silicoMore data for this Ligand-Target Pair
TargetAngiotensin-converting enzyme(Homo sapiens (Human))
Institute of Biomedical Chemistry of Russian Academy of Medical Sciences

Curated by ChEMBL
LigandPNGBDBM50367879(LISINOPRIL)
Show SMILES NCCCC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C21H31N3O5/c22-13-5-4-9-16(19(25)24-14-6-10-18(24)21(28)29)23-17(20(26)27)12-11-15-7-2-1-3-8-15/h1-3,7-8,16-18,23H,4-6,9-14,22H2,(H,26,27)(H,28,29)/t16-,17-,18-/m0/s1
Affinity DataIC50: 4.70nMAssay Description:Inhibitory activity against angiotensin I converting enzyme (ACE)Checked by AuthorMore data for this Ligand-Target Pair
TargetAngiotensin-converting enzyme(Homo sapiens (Human))
Institute of Biomedical Chemistry of Russian Academy of Medical Sciences

Curated by ChEMBL
LigandPNGBDBM50367879(LISINOPRIL)
Show SMILES NCCCC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C21H31N3O5/c22-13-5-4-9-16(19(25)24-14-6-10-18(24)21(28)29)23-17(20(26)27)12-11-15-7-2-1-3-8-15/h1-3,7-8,16-18,23H,4-6,9-14,22H2,(H,26,27)(H,28,29)/t16-,17-,18-/m0/s1
Affinity DataIC50: 7.90nMAssay Description:Inhibition of ACE (unknown origin) using Hippuryl-L-Histidyl-L-Leucine as substrate after 60 mins by colorimetric methodMore data for this Ligand-Target Pair