Found 8 hits of Enzyme Inhibition Constant Data 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)) | BDBM50017125
(1-[6-Amino-2-(1-carboxy-3-phenyl-propylamino)-hexa...)Show SMILES NCCCC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CC2(C[C@H]1C(O)=O)SCCS2 Show InChI InChI=1S/C23H33N3O5S2/c24-11-5-4-8-17(25-18(21(28)29)10-9-16-6-2-1-3-7-16)20(27)26-15-23(32-12-13-33-23)14-19(26)22(30)31/h1-3,6-7,17-19,25H,4-5,8-15,24H2,(H,28,29)(H,30,31)/t17-,18-,19-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by ChEMBL
| Assay Description Compound tested in vitro for inhibition of Angiotensin I converting enzyme |
J Med Chem 32: 1600-6 (1989)
BindingDB Entry DOI: 10.7270/Q2M61KVW |
More data for this Ligand-Target Pair | |
Angiotensin-converting enzyme
(Homo sapiens (Human)) | BDBM50017122
(7-[2-(1-Carboxy-3-phenyl-propylamino)-propionyl]-1...)Show SMILES C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CC2(C[C@H]1C(O)=O)SCCS2 Show InChI InChI=1S/C20H26N2O5S2/c1-13(21-15(18(24)25)8-7-14-5-3-2-4-6-14)17(23)22-12-20(28-9-10-29-20)11-16(22)19(26)27/h2-6,13,15-16,21H,7-12H2,1H3,(H,24,25)(H,26,27)/t13-,15-,16-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by ChEMBL
| Assay Description Compound tested in vitro for inhibition of Angiotensin I converting enzyme |
J Med Chem 32: 1600-6 (1989)
BindingDB Entry DOI: 10.7270/Q2M61KVW |
More data for this Ligand-Target Pair | |
Angiotensin-converting enzyme
(Rattus norvegicus) | BDBM50017122
(7-[2-(1-Carboxy-3-phenyl-propylamino)-propionyl]-1...)Show SMILES C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CC2(C[C@H]1C(O)=O)SCCS2 Show InChI InChI=1S/C20H26N2O5S2/c1-13(21-15(18(24)25)8-7-14-5-3-2-4-6-14)17(23)22-12-20(28-9-10-29-20)11-16(22)19(26)27/h2-6,13,15-16,21H,7-12H2,1H3,(H,24,25)(H,26,27)/t13-,15-,16-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by ChEMBL
| Assay Description Compound tested in vivo for inhibition of Angiotensin I converting enzyme in rat |
J Med Chem 32: 1600-6 (1989)
BindingDB Entry DOI: 10.7270/Q2M61KVW |
More data for this Ligand-Target Pair | |
Angiotensin-converting enzyme
(Homo sapiens (Human)) | BDBM50367254
(ENALAPRILAT)Show SMILES C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O |r| Show InChI InChI=1S/C18H24N2O5/c1-12(16(21)20-11-5-8-15(20)18(24)25)19-14(17(22)23)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,19H,5,8-11H2,1H3,(H,22,23)(H,24,25)/t12-,14-,15-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE KEGG MMDB PC cid PC sid PDB UniChem
Similars
| PDB PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by ChEMBL
| Assay Description Compound tested in vitro for inhibition of Angiotensin I converting enzyme |
J Med Chem 32: 1600-6 (1989)
BindingDB Entry DOI: 10.7270/Q2M61KVW |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Angiotensin-converting enzyme
(Homo sapiens (Human)) | BDBM21642
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by ChEMBL
| Assay Description Compound tested in vitro for inhibition of Angiotensin I converting enzyme |
J Med Chem 32: 1600-6 (1989)
BindingDB Entry DOI: 10.7270/Q2M61KVW |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Angiotensin-converting enzyme
(Rattus norvegicus) | BDBM50017124
(7-[2-(1-Ethoxycarbonyl-3-phenyl-propylamino)-propi...)Show SMILES CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CC2(C[C@H]1C(O)=O)SCCS2 Show InChI InChI=1S/C22H30N2O5S2/c1-3-29-21(28)17(10-9-16-7-5-4-6-8-16)23-15(2)19(25)24-14-22(30-11-12-31-22)13-18(24)20(26)27/h4-8,15,17-18,23H,3,9-14H2,1-2H3,(H,26,27)/t15-,17-,18-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 67 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by ChEMBL
| Assay Description Compound tested in vitro for inhibition of Angiotensin I converting enzyme |
J Med Chem 32: 1600-6 (1989)
BindingDB Entry DOI: 10.7270/Q2M61KVW |
More data for this Ligand-Target Pair | |
Angiotensin-converting enzyme
(Homo sapiens (Human)) | BDBM50017126
(7-[6-Amino-2-(1-ethoxycarbonyl-3-phenyl-propylamin...)Show SMILES CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](CCCCN)C(=O)N1CC2(C[C@H]1C(O)=O)SCCS2 Show InChI InChI=1S/C25H37N3O5S2/c1-2-33-24(32)20(12-11-18-8-4-3-5-9-18)27-19(10-6-7-13-26)22(29)28-17-25(34-14-15-35-25)16-21(28)23(30)31/h3-5,8-9,19-21,27H,2,6-7,10-17,26H2,1H3,(H,30,31)/t19-,20-,21-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by ChEMBL
| Assay Description Compound tested in vitro for inhibition of Angiotensin I converting enzyme |
J Med Chem 32: 1600-6 (1989)
BindingDB Entry DOI: 10.7270/Q2M61KVW |
More data for this Ligand-Target Pair | |
Angiotensin-converting enzyme
(Homo sapiens (Human)) | BDBM50017129
((S)-1-((S)-2-((R)-1-ethoxy-1-oxo-4-phenylbutan-2-y...)Show SMILES CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCC[C@H]1C(O)=O |r| Show InChI InChI=1S/C20H28N2O5/c1-3-27-20(26)16(12-11-15-8-5-4-6-9-15)21-14(2)18(23)22-13-7-10-17(22)19(24)25/h4-6,8-9,14,16-17,21H,3,7,10-13H2,1-2H3,(H,24,25)/t14-,16-,17-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem
Patents
Similars
| DrugBank PubMed
| n/a | n/a | 1.27E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by ChEMBL
| Assay Description Compound tested in vitro for inhibition of Angiotensin I converting enzyme |
J Med Chem 32: 1600-6 (1989)
BindingDB Entry DOI: 10.7270/Q2M61KVW |
More data for this Ligand-Target Pair | |