Found 129 hits Enz. Inhib. hit(s) with Target = 'Angiotensin-converting enzyme' AND taxid = 9823 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/Ribosomal RNA small subunit methyltransferase NEP1
(Human-Homo sapiens (Human)) | BDBM471705
(US10829438, Example 1G | US11174219, Example 1G)Show SMILES CC(=O)OCOn1nnc2ccc(cc12)C(=O)N[C@@H](C[C@@H](O)C(O)=O)Cc1ccc(cc1)-c1cccc(Cl)c1 |r| Show InChI InChI=1S/C27H25ClN4O7/c1-16(33)38-15-39-32-24-13-20(9-10-23(24)30-31-32)26(35)29-22(14-25(34)27(36)37)11-17-5-7-18(8-6-17)19-3-2-4-21(28)12-19/h2-10,12-13,22,25,34H,11,14-15H2,1H3,(H,29,35)(H,36,37)/t22-,25-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| KEGG
PC cid
PC sid
UniChem
| US Patent
| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance Biopharma R&D IP, LLC
US Patent
| Assay Description
The assays were performed in 384-well white opaque plates at 37° C. using the fluorogenic peptide substrates at a concentration of 10 μM in Assa... |
US Patent US10829438 (2020)
BindingDB Entry DOI: 10.7270/Q29C71H0 |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme/Ribosomal RNA small subunit methyltransferase NEP1
(Human-Homo sapiens (Human)) | BDBM471710
(US10829438, Example 1L | US11174219, Example 1L)Show SMILES CC(C)[C@@H](N)C(=O)OCOn1nnc2ccc(cc12)C(=O)N[C@@H](C[C@@H](O)C(O)=O)Cc1ccc(cc1)-c1cccc(Cl)c1 |r| Show InChI InChI=1S/C30H32ClN5O7/c1-17(2)27(32)30(41)42-16-43-36-25-14-21(10-11-24(25)34-35-36)28(38)33-23(15-26(37)29(39)40)12-18-6-8-19(9-7-18)20-4-3-5-22(31)13-20/h3-11,13-14,17,23,26-27,37H,12,15-16,32H2,1-2H3,(H,33,38)(H,39,40)/t23-,26-,27-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| US Patent
| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The assays were performed in 384-well white opaque plates at 37° C. using the fluorogenic peptide substrates at a concentration of 10 μM in Assa... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20V8H0G |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme/Ribosomal RNA small subunit methyltransferase NEP1
(Human-Homo sapiens (Human)) | BDBM471713
(US10829438, Example 5B | US11174219, Example 5B)Show SMILES CCOC(=O)[C@H](O)C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)c1cc([nH]n1)C(C)=O |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The assays were performed in 384-well white opaque plates at 37° C. using the fluorogenic peptide substrates at a concentration of 10 μM in Assa... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20V8H0G |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme/Ribosomal RNA small subunit methyltransferase NEP1
(Human-Homo sapiens (Human)) | BDBM471712
(US10829438, Example 4B | US11174219, Example 4B)Show SMILES CCOC(=O)[C@H](O)C[C@@H](Cc1ccc(cc1)-c1cc(Cl)ccc1F)NC(=O)c1cc([nH]n1)C(C)=O |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The assays were performed in 384-well white opaque plates at 37° C. using the fluorogenic peptide substrates at a concentration of 10 μM in Assa... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20V8H0G |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme/Ribosomal RNA small subunit methyltransferase NEP1
(Human-Homo sapiens (Human)) | BDBM471705
(US10829438, Example 1G | US11174219, Example 1G)Show SMILES CC(=O)OCOn1nnc2ccc(cc12)C(=O)N[C@@H](C[C@@H](O)C(O)=O)Cc1ccc(cc1)-c1cccc(Cl)c1 |r| Show InChI InChI=1S/C27H25ClN4O7/c1-16(33)38-15-39-32-24-13-20(9-10-23(24)30-31-32)26(35)29-22(14-25(34)27(36)37)11-17-5-7-18(8-6-17)19-3-2-4-21(28)12-19/h2-10,12-13,22,25,34H,11,14-15H2,1H3,(H,29,35)(H,36,37)/t22-,25-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| US Patent
| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The assays were performed in 384-well white opaque plates at 37° C. using the fluorogenic peptide substrates at a concentration of 10 μM in Assa... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20V8H0G |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme/Ribosomal RNA small subunit methyltransferase NEP1
(Human-Homo sapiens (Human)) | BDBM471714
(US10829438, Example 6A | US11174219, Example 6A)Show SMILES O[C@H](C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)c1cc(no1)-c1ccccc1F)C(O)=O |r| Show InChI InChI=1S/C27H22ClFN2O5/c28-19-5-3-4-18(13-19)17-10-8-16(9-11-17)12-20(14-24(32)27(34)35)30-26(33)25-15-23(31-36-25)21-6-1-2-7-22(21)29/h1-11,13,15,20,24,32H,12,14H2,(H,30,33)(H,34,35)/t20-,24-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| US Patent
| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The assays were performed in 384-well white opaque plates at 37° C. using the fluorogenic peptide substrates at a concentration of 10 μM in Assa... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20V8H0G |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme/Ribosomal RNA small subunit methyltransferase NEP1
(Human-Homo sapiens (Human)) | BDBM471710
(US10829438, Example 1L | US11174219, Example 1L)Show SMILES CC(C)[C@@H](N)C(=O)OCOn1nnc2ccc(cc12)C(=O)N[C@@H](C[C@@H](O)C(O)=O)Cc1ccc(cc1)-c1cccc(Cl)c1 |r| Show InChI InChI=1S/C30H32ClN5O7/c1-17(2)27(32)30(41)42-16-43-36-25-14-21(10-11-24(25)34-35-36)28(38)33-23(15-26(37)29(39)40)12-18-6-8-19(9-7-18)20-4-3-5-22(31)13-20/h3-11,13-14,17,23,26-27,37H,12,15-16,32H2,1-2H3,(H,33,38)(H,39,40)/t23-,26-,27-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| US Patent
| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance Biopharma R&D IP, LLC
US Patent
| Assay Description
The assays were performed in 384-well white opaque plates at 37° C. using the fluorogenic peptide substrates at a concentration of 10 μM in Assa... |
US Patent US10829438 (2020)
BindingDB Entry DOI: 10.7270/Q29C71H0 |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme/Ribosomal RNA small subunit methyltransferase NEP1
(Human-Homo sapiens (Human)) | BDBM471712
(US10829438, Example 4B | US11174219, Example 4B)Show SMILES CCOC(=O)[C@H](O)C[C@@H](Cc1ccc(cc1)-c1cc(Cl)ccc1F)NC(=O)c1cc([nH]n1)C(C)=O |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance Biopharma R&D IP, LLC
US Patent
| Assay Description
The assays were performed in 384-well white opaque plates at 37° C. using the fluorogenic peptide substrates at a concentration of 10 μM in Assa... |
US Patent US10829438 (2020)
BindingDB Entry DOI: 10.7270/Q29C71H0 |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme/Ribosomal RNA small subunit methyltransferase NEP1
(Human-Homo sapiens (Human)) | BDBM471713
(US10829438, Example 5B | US11174219, Example 5B)Show SMILES CCOC(=O)[C@H](O)C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)c1cc([nH]n1)C(C)=O |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance Biopharma R&D IP, LLC
US Patent
| Assay Description
The assays were performed in 384-well white opaque plates at 37° C. using the fluorogenic peptide substrates at a concentration of 10 μM in Assa... |
US Patent US10829438 (2020)
BindingDB Entry DOI: 10.7270/Q29C71H0 |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme/Ribosomal RNA small subunit methyltransferase NEP1
(Human-Homo sapiens (Human)) | BDBM471714
(US10829438, Example 6A | US11174219, Example 6A)Show SMILES O[C@H](C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)c1cc(no1)-c1ccccc1F)C(O)=O |r| Show InChI InChI=1S/C27H22ClFN2O5/c28-19-5-3-4-18(13-19)17-10-8-16(9-11-17)12-20(14-24(32)27(34)35)30-26(33)25-15-23(31-36-25)21-6-1-2-7-22(21)29/h1-11,13,15,20,24,32H,12,14H2,(H,30,33)(H,34,35)/t20-,24-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| US Patent
| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance Biopharma R&D IP, LLC
US Patent
| Assay Description
The assays were performed in 384-well white opaque plates at 37° C. using the fluorogenic peptide substrates at a concentration of 10 μM in Assa... |
US Patent US10829438 (2020)
BindingDB Entry DOI: 10.7270/Q29C71H0 |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme/Ribosomal RNA small subunit methyltransferase NEP1
(Human-Homo sapiens (Human)) | BDBM471711
(US10829438, Example 1M | US11174219, Example 1M)Show SMILES CCCC(=O)OCOn1nnc2ccc(cc12)C(=O)N[C@@H](C[C@@H](O)C(O)=O)Cc1ccc(cc1)-c1cccc(Cl)c1 |r| Show InChI InChI=1S/C29H29ClN4O7/c1-2-4-27(36)40-17-41-34-25-15-21(11-12-24(25)32-33-34)28(37)31-23(16-26(35)29(38)39)13-18-7-9-19(10-8-18)20-5-3-6-22(30)14-20/h3,5-12,14-15,23,26,35H,2,4,13,16-17H2,1H3,(H,31,37)(H,38,39)/t23-,26-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| US Patent
| 3.55 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance Biopharma R&D IP, LLC
US Patent
| Assay Description
The assays were performed in 384-well white opaque plates at 37° C. using the fluorogenic peptide substrates at a concentration of 10 μM in Assa... |
US Patent US10829438 (2020)
BindingDB Entry DOI: 10.7270/Q29C71H0 |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme/Ribosomal RNA small subunit methyltransferase NEP1
(Human-Homo sapiens (Human)) | BDBM471711
(US10829438, Example 1M | US11174219, Example 1M)Show SMILES CCCC(=O)OCOn1nnc2ccc(cc12)C(=O)N[C@@H](C[C@@H](O)C(O)=O)Cc1ccc(cc1)-c1cccc(Cl)c1 |r| Show InChI InChI=1S/C29H29ClN4O7/c1-2-4-27(36)40-17-41-34-25-15-21(11-12-24(25)32-33-34)28(37)31-23(16-26(35)29(38)39)13-18-7-9-19(10-8-18)20-5-3-6-22(30)14-20/h3,5-12,14-15,23,26,35H,2,4,13,16-17H2,1H3,(H,31,37)(H,38,39)/t23-,26-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| US Patent
| 3.55 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The assays were performed in 384-well white opaque plates at 37° C. using the fluorogenic peptide substrates at a concentration of 10 μM in Assa... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20V8H0G |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme/Ribosomal RNA small subunit methyltransferase NEP1
(Human-Homo sapiens (Human)) | BDBM471709
(US10829438, Example 1I | US11174219, Example 1I)Show SMILES O[C@H](C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)c1ccc2nnn(OCc3ccccc3)c2c1)C(O)=O |r| Show InChI InChI=1S/C31H27ClN4O5/c32-25-8-4-7-23(16-25)22-11-9-20(10-12-22)15-26(18-29(37)31(39)40)33-30(38)24-13-14-27-28(17-24)36(35-34-27)41-19-21-5-2-1-3-6-21/h1-14,16-17,26,29,37H,15,18-19H2,(H,33,38)(H,39,40)/t26-,29-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| US Patent
| 35.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance Biopharma R&D IP, LLC
US Patent
| Assay Description
The assays were performed in 384-well white opaque plates at 37° C. using the fluorogenic peptide substrates at a concentration of 10 μM in Assa... |
US Patent US10829438 (2020)
BindingDB Entry DOI: 10.7270/Q29C71H0 |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme/Ribosomal RNA small subunit methyltransferase NEP1
(Human-Homo sapiens (Human)) | BDBM471709
(US10829438, Example 1I | US11174219, Example 1I)Show SMILES O[C@H](C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)c1ccc2nnn(OCc3ccccc3)c2c1)C(O)=O |r| Show InChI InChI=1S/C31H27ClN4O5/c32-25-8-4-7-23(16-25)22-11-9-20(10-12-22)15-26(18-29(37)31(39)40)33-30(38)24-13-14-27-28(17-24)36(35-34-27)41-19-21-5-2-1-3-6-21/h1-14,16-17,26,29,37H,15,18-19H2,(H,33,38)(H,39,40)/t26-,29-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| US Patent
| 35.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The assays were performed in 384-well white opaque plates at 37° C. using the fluorogenic peptide substrates at a concentration of 10 μM in Assa... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20V8H0G |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(Homo sapiens (Human)) | BDBM50001591
((S)-2-[(S)-2-(2-Cyano-acetylamino)-1-oxo-3-phenyl-...)Show SMILES OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CC#N Show InChI InChI=1S/C21H21N3O4/c22-12-11-19(25)23-17(13-15-7-3-1-4-8-15)20(26)24-18(21(27)28)14-16-9-5-2-6-10-16/h1-10,17-18H,11,13-14H2,(H,23,25)(H,24,26)(H,27,28)/t17-,18-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 6.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Baxter Diagnostics Inc.
Curated by ChEMBL
| Assay Description
Inhibition of hydrolysis of N-[3-(2-furyl)acryloyll-Phe-Gly-Gly7 by angiotensin I converting enzyme |
J Med Chem 35: 4175-9 (1992)
BindingDB Entry DOI: 10.7270/Q2416W1P |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(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
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
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MCE
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MMDB
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PDB
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Similars
| PDB
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Rorer Central Research
Curated by ChEMBL
| Assay Description
In vitro inhibition of Angiotensin I converting enzyme in Hog plasma |
J Med Chem 33: 1606-15 (1990)
BindingDB Entry DOI: 10.7270/Q2CF9QPK |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Angiotensin-converting enzyme 2
(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
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
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CHEMBL
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MCE
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PC cid
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UniChem
Patents
Similars
| Article
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibition against angiotensin converting enzyme (ACE) |
Bioorg Med Chem Lett 4: 2673-2676 (1994)
Article DOI: 10.1016/S0960-894X(01)80694-6
BindingDB Entry DOI: 10.7270/Q2X34XXT |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(Homo sapiens (Human)) | BDBM50027142
(1-{5-[(Furan-2-carbonyl)-amino]-4-oxo-6-phenyl-hex...)Show SMILES OC(=O)[C@@H]1CCCN1C(=O)CCC(=O)C(Cc1ccccc1)NC(=O)c1ccco1 Show InChI InChI=1S/C22H24N2O6/c25-18(10-11-20(26)24-12-4-8-17(24)22(28)29)16(14-15-6-2-1-3-7-15)23-21(27)19-9-5-13-30-19/h1-3,5-7,9,13,16-17H,4,8,10-12,14H2,(H,23,27)(H,28,29)/t16?,17-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Concentration required to inhibit the activity of Angiotensin I converting enzyme by 50% |
J Med Chem 24: 964-9 (1982)
BindingDB Entry DOI: 10.7270/Q2959J4Z |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(Homo sapiens (Human)) | BDBM50027132
(1-[5-Benzoylamino-6-(3,4-dimethoxy-phenyl)-4-oxo-h...)Show SMILES COc1ccc(CC(NC(=O)c2ccccc2)C(=O)CCC(=O)N2CCC[C@H]2C(O)=O)cc1OC Show InChI InChI=1S/C26H30N2O7/c1-34-22-12-10-17(16-23(22)35-2)15-19(27-25(31)18-7-4-3-5-8-18)21(29)11-13-24(30)28-14-6-9-20(28)26(32)33/h3-5,7-8,10,12,16,19-20H,6,9,11,13-15H2,1-2H3,(H,27,31)(H,32,33)/t19?,20-/m0/s1 | PDB
MMDB
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Reactome pathway
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| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Concentration required to inhibit the activity of Angiotensin I converting enzyme by 50% |
J Med Chem 24: 964-9 (1982)
BindingDB Entry DOI: 10.7270/Q2959J4Z |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(Homo sapiens (Human)) | BDBM50027344
((S)-1-((S)-5-benzamido-4-oxo-6-phenylhexanoyl)pyrr...)Show SMILES OC(=O)[C@@H]1CCCN1C(=O)CCC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 Show InChI InChI=1S/C24H26N2O5/c27-21(13-14-22(28)26-15-7-12-20(26)24(30)31)19(16-17-8-3-1-4-9-17)25-23(29)18-10-5-2-6-11-18/h1-6,8-11,19-20H,7,12-16H2,(H,25,29)(H,30,31)/t19-,20-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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antibodypedia
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| CHEMBL
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| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Concentration required to inhibit the activity of Angiotensin I converting enzyme by 50% |
J Med Chem 24: 964-9 (1982)
BindingDB Entry DOI: 10.7270/Q2959J4Z |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(Homo sapiens (Human)) | BDBM50027344
((S)-1-((S)-5-benzamido-4-oxo-6-phenylhexanoyl)pyrr...)Show SMILES OC(=O)[C@@H]1CCCN1C(=O)CCC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 Show InChI InChI=1S/C24H26N2O5/c27-21(13-14-22(28)26-15-7-12-20(26)24(30)31)19(16-17-8-3-1-4-9-17)25-23(29)18-10-5-2-6-11-18/h1-6,8-11,19-20H,7,12-16H2,(H,25,29)(H,30,31)/t19-,20-/m0/s1 | PDB
MMDB
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| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Concentration required for 50% inhibition of Angiotensin I converting enzyme |
J Med Chem 25: 996-9 (1982)
BindingDB Entry DOI: 10.7270/Q2154G1D |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(Homo sapiens (Human)) | BDBM50027476
(1-[2-(3-Benzoylamino-2-oxo-4-phenyl-butoxy)-acetyl...)Show SMILES OC(=O)[C@H]1CCCN1C(=O)COCC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1 Show InChI InChI=1S/C24H26N2O6/c27-21(15-32-16-22(28)26-13-7-12-20(26)24(30)31)19(14-17-8-3-1-4-9-17)25-23(29)18-10-5-2-6-11-18/h1-6,8-11,19-20H,7,12-16H2,(H,25,29)(H,30,31)/t19?,20-/m1/s1 | PDB
MMDB
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| n/a | n/a | 4.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Concentration required for 50% inhibition of Angiotensin I converting enzyme |
J Med Chem 25: 996-9 (1982)
BindingDB Entry DOI: 10.7270/Q2154G1D |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(Homo sapiens (Human)) | BDBM50027147
(1-[5-Benzoylamino-6-(4-hydroxy-phenyl)-4-oxo-hexan...)Show SMILES OC(=O)[C@@H]1CCCN1C(=O)CCC(=O)C(Cc1ccc(O)cc1)NC(=O)c1ccccc1 Show InChI InChI=1S/C24H26N2O6/c27-18-10-8-16(9-11-18)15-19(25-23(30)17-5-2-1-3-6-17)21(28)12-13-22(29)26-14-4-7-20(26)24(31)32/h1-3,5-6,8-11,19-20,27H,4,7,12-15H2,(H,25,30)(H,31,32)/t19?,20-/m0/s1 | PDB
MMDB
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| n/a | n/a | 4.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Concentration required to inhibit the activity of Angiotensin I converting enzyme by 50% |
J Med Chem 24: 964-9 (1982)
BindingDB Entry DOI: 10.7270/Q2959J4Z |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(Homo sapiens (Human)) | BDBM50027144
(1-(5-Benzoylamino-4-oxo-6-pyridin-3-yl-hexanoyl)-p...)Show SMILES OC(=O)[C@@H]1CCCN1C(=O)CCC(=O)C(Cc1cccnc1)NC(=O)c1ccccc1 Show InChI InChI=1S/C23H25N3O5/c27-20(10-11-21(28)26-13-5-9-19(26)23(30)31)18(14-16-6-4-12-24-15-16)25-22(29)17-7-2-1-3-8-17/h1-4,6-8,12,15,18-19H,5,9-11,13-14H2,(H,25,29)(H,30,31)/t18?,19-/m0/s1 | PDB
MMDB
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Reactome pathway
KEGG
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| n/a | n/a | 5.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Concentration required to inhibit the activity of Angiotensin I converting enzyme by 50% |
J Med Chem 24: 964-9 (1982)
BindingDB Entry DOI: 10.7270/Q2959J4Z |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(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
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| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Concentration required to inhibit the activity of Angiotensin I converting enzyme by 50% |
J Med Chem 24: 964-9 (1982)
BindingDB Entry DOI: 10.7270/Q2959J4Z |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Angiotensin-converting enzyme 2
(Homo sapiens (Human)) | BDBM50027146
(1-[5-Benzoylamino-6-(4-benzyloxy-phenyl)-4-oxo-hex...)Show SMILES OC(=O)[C@@H]1CCCN1C(=O)CCC(=O)C(Cc1ccc(OCc2ccccc2)cc1)NC(=O)c1ccccc1 Show InChI InChI=1S/C31H32N2O6/c34-28(17-18-29(35)33-19-7-12-27(33)31(37)38)26(32-30(36)24-10-5-2-6-11-24)20-22-13-15-25(16-14-22)39-21-23-8-3-1-4-9-23/h1-6,8-11,13-16,26-27H,7,12,17-21H2,(H,32,36)(H,37,38)/t26?,27-/m0/s1 | PDB
MMDB
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Reactome pathway
KEGG
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Concentration required to inhibit the activity of Angiotensin I converting enzyme by 50% |
J Med Chem 24: 964-9 (1982)
BindingDB Entry DOI: 10.7270/Q2959J4Z |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(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
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Article
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against angiotensin-converting enzyme |
Bioorg Med Chem Lett 4: 2715-2720 (1994)
Article DOI: 10.1016/S0960-894X(01)80703-4
BindingDB Entry DOI: 10.7270/Q2SB467B |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Angiotensin-converting enzyme 2
(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
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| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Concentration required for 50% inhibition of Angiotensin I converting enzyme |
J Med Chem 24: 104-9 (1981)
BindingDB Entry DOI: 10.7270/Q2ZW1MGC |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Angiotensin-converting enzyme 2
(Homo sapiens (Human)) | BDBM50027478
(1-[2-(3-Benzoylamino-2-oxo-4-phenyl-butylsulfanyl)...)Show SMILES OC(=O)[C@H]1CCCN1C(=O)CSCC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1 Show InChI InChI=1S/C24H26N2O5S/c27-21(15-32-16-22(28)26-13-7-12-20(26)24(30)31)19(14-17-8-3-1-4-9-17)25-23(29)18-10-5-2-6-11-18/h1-6,8-11,19-20H,7,12-16H2,(H,25,29)(H,30,31)/t19?,20-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
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| PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Concentration required for 50% inhibition of Angiotensin I converting enzyme |
J Med Chem 25: 996-9 (1982)
BindingDB Entry DOI: 10.7270/Q2154G1D |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(Homo sapiens (Human)) | BDBM50286721
((S)-1-[(S)-2-((S)-2-Mercapto-3-phenyl-propionylami...)Show SMILES OC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@@H](S)Cc1ccccc1 Show InChI InChI=1S/C27H28N2O4S/c30-25(24(34)16-18-8-2-1-3-9-18)28-22(26(31)29-15-7-14-23(29)27(32)33)17-20-12-6-11-19-10-4-5-13-21(19)20/h1-6,8-13,22-24,34H,7,14-17H2,(H,28,30)(H,32,33)/t22-,23-,24-/m0/s1 | PDB
MMDB
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Reactome pathway
KEGG
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| CHEMBL
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PC sid
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| Article
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of angiotensin converting enzyme (ACE) |
Bioorg Med Chem Lett 5: 735-738 (1995)
Article DOI: 10.1016/0960-894X(95)00105-3
BindingDB Entry DOI: 10.7270/Q2611097 |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(Homo sapiens (Human)) | BDBM50027154
(1-(5-Benzoylamino-4-oxo-6-pyridin-3-yl-hexanoyl)-p...)Show SMILES O=C(CCC(=O)N1CCC[C@H]1C(=O)OCc1ccccc1)C(Cc1cccnc1)NC(=O)c1ccccc1 Show InChI InChI=1S/C30H31N3O5/c34-27(25(19-23-11-7-17-31-20-23)32-29(36)24-12-5-2-6-13-24)15-16-28(35)33-18-8-14-26(33)30(37)38-21-22-9-3-1-4-10-22/h1-7,9-13,17,20,25-26H,8,14-16,18-19,21H2,(H,32,36)/t25?,26-/m0/s1 | PDB
MMDB
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Reactome pathway
KEGG
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| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Concentration required to inhibit the activity of Angiotensin I converting enzyme by 50% |
J Med Chem 24: 964-9 (1982)
BindingDB Entry DOI: 10.7270/Q2959J4Z |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(Homo sapiens (Human)) | BDBM50286722
((S)-1-[(S)-2-((S)-2-Mercapto-3-phenyl-propionylami...)Show SMILES OC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H](S)Cc1ccccc1 Show InChI InChI=1S/C27H28N2O4S/c30-25(24(34)17-18-7-2-1-3-8-18)28-22(26(31)29-14-6-11-23(29)27(32)33)16-19-12-13-20-9-4-5-10-21(20)15-19/h1-5,7-10,12-13,15,22-24,34H,6,11,14,16-17H2,(H,28,30)(H,32,33)/t22-,23-,24-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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GoogleScholar
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| CHEMBL
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PC sid
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Similars
| Article
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of angiotensin converting enzyme (ACE) |
Bioorg Med Chem Lett 5: 735-738 (1995)
Article DOI: 10.1016/0960-894X(95)00105-3
BindingDB Entry DOI: 10.7270/Q2611097 |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(Homo sapiens (Human)) | BDBM50027133
(1-{4-Oxo-6-phenyl-5-[(tetrahydro-furan-2-carbonyl)...)Show SMILES OC(=O)[C@@H]1CCCN1C(=O)CCC(=O)C(Cc1ccccc1)NC(=O)C1CCCO1 Show InChI InChI=1S/C22H28N2O6/c25-18(10-11-20(26)24-12-4-8-17(24)22(28)29)16(14-15-6-2-1-3-7-15)23-21(27)19-9-5-13-30-19/h1-3,6-7,16-17,19H,4-5,8-14H2,(H,23,27)(H,28,29)/t16?,17-,19?/m0/s1 | PDB
MMDB
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| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Concentration required to inhibit the activity of Angiotensin I converting enzyme by 50% |
J Med Chem 24: 964-9 (1982)
BindingDB Entry DOI: 10.7270/Q2959J4Z |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(Homo sapiens (Human)) | BDBM50283658
((S)-3-Biphenyl-4-yl-2-[(S)-2-((S)-1-carboxy-ethyla...)Show SMILES CC[C@H](C)C(N[C@@H](C)C(O)=O)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O Show InChI InChI=1S/C24H30N2O5/c1-4-15(2)21(25-16(3)23(28)29)22(27)26-20(24(30)31)14-17-10-12-19(13-11-17)18-8-6-5-7-9-18/h5-13,15-16,20-21,25H,4,14H2,1-3H3,(H,26,27)(H,28,29)(H,30,31)/t15-,16-,20-,21?/m0/s1 | PDB
MMDB
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Reactome pathway
KEGG
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| CHEMBL
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| Article
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against angiotensin-converting enzyme |
Bioorg Med Chem Lett 4: 2715-2720 (1994)
Article DOI: 10.1016/S0960-894X(01)80703-4
BindingDB Entry DOI: 10.7270/Q2SB467B |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(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
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Article
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibition against angiotensin converting enzyme (ACE) |
Bioorg Med Chem Lett 4: 2673-2676 (1994)
Article DOI: 10.1016/S0960-894X(01)80694-6
BindingDB Entry DOI: 10.7270/Q2X34XXT |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Angiotensin-converting enzyme 2
(Homo sapiens (Human)) | BDBM50283656
((S)-3-Biphenyl-4-yl-2-[(S)-2-((S)-1-carboxy-ethyla...)Show SMILES CC(C)[C@H](N[C@@H](C)C(O)=O)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O Show InChI InChI=1S/C23H28N2O5/c1-14(2)20(24-15(3)22(27)28)21(26)25-19(23(29)30)13-16-9-11-18(12-10-16)17-7-5-4-6-8-17/h4-12,14-15,19-20,24H,13H2,1-3H3,(H,25,26)(H,27,28)(H,29,30)/t15-,19-,20-/m0/s1 | PDB
MMDB
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Reactome pathway
KEGG
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B.MOAD
antibodypedia
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| CHEMBL
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PC sid
UniChem
Similars
| Article
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against angiotensin-converting enzyme |
Bioorg Med Chem Lett 4: 2715-2720 (1994)
Article DOI: 10.1016/S0960-894X(01)80703-4
BindingDB Entry DOI: 10.7270/Q2SB467B |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(Homo sapiens (Human)) | BDBM50085459
((S)-3-Biphenyl-4-yl-2-[(S)-3-methyl-2-(phosphonome...)Show SMILES CC(C)[C@H](NCP(O)(O)=O)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O Show InChI InChI=1S/C21H27N2O6P/c1-14(2)19(22-13-30(27,28)29)20(24)23-18(21(25)26)12-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-11,14,18-19,22H,12-13H2,1-2H3,(H,23,24)(H,25,26)(H2,27,28,29)/t18-,19-/m0/s1 | PDB
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| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against angiotensin-converting enzyme |
Bioorg Med Chem Lett 4: 2715-2720 (1994)
Article DOI: 10.1016/S0960-894X(01)80703-4
BindingDB Entry DOI: 10.7270/Q2SB467B |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(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
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| PDB
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Rorer Central Research
Curated by ChEMBL
| Assay Description
In vitro inhibition of Angiotensin I converting enzyme in Hog plasma |
J Med Chem 33: 1606-15 (1990)
BindingDB Entry DOI: 10.7270/Q2CF9QPK |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Angiotensin-converting enzyme 2
(Homo sapiens (Human)) | BDBM50286723
((S)-1-[(S)-2-((R)-2-Mercapto-3-phenyl-propionylami...)Show SMILES OC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@H](S)Cc1ccccc1 Show InChI InChI=1S/C27H28N2O4S/c30-25(24(34)16-18-8-2-1-3-9-18)28-22(26(31)29-15-7-14-23(29)27(32)33)17-20-12-6-11-19-10-4-5-13-21(19)20/h1-6,8-13,22-24,34H,7,14-17H2,(H,28,30)(H,32,33)/t22-,23-,24+/m0/s1 | PDB
MMDB
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Reactome pathway
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| Article
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of angiotensin converting enzyme (ACE) |
Bioorg Med Chem Lett 5: 735-738 (1995)
Article DOI: 10.1016/0960-894X(95)00105-3
BindingDB Entry DOI: 10.7270/Q2611097 |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(Homo sapiens (Human)) | BDBM50027152
(2-(5-Benzoylamino-4-oxo-6-phenyl-hexanoylamino)-3-...)Show SMILES OC(=O)[C@@H](Cc1ccccc1)NC(=O)CCC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1 Show InChI InChI=1S/C28H28N2O5/c31-25(16-17-26(32)29-24(28(34)35)19-21-12-6-2-7-13-21)23(18-20-10-4-1-5-11-20)30-27(33)22-14-8-3-9-15-22/h1-15,23-24H,16-19H2,(H,29,32)(H,30,33)(H,34,35)/t23?,24-/m1/s1 | PDB
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| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Concentration required to inhibit the activity of Angiotensin I converting enzyme by 50% |
J Med Chem 24: 964-9 (1982)
BindingDB Entry DOI: 10.7270/Q2959J4Z |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(Homo sapiens (Human)) | BDBM50288346
((S)-5-((S)-2-Mercapto-3-methyl-butyrylamino)-4-oxo...)Show SMILES CC(C)[C@H](S)C(=O)NC1CCc2cccc3C[C@H](N(c23)C1=O)C(O)=O Show InChI InChI=1S/C18H22N2O4S/c1-9(2)15(25)16(21)19-12-7-6-10-4-3-5-11-8-13(18(23)24)20(14(10)11)17(12)22/h3-5,9,12-13,15,25H,6-8H2,1-2H3,(H,19,21)(H,23,24)/t12?,13-,15-/m0/s1 | PDB
MMDB
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KEGG
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| Article
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Angiotensin I converting enzyme |
Bioorg Med Chem Lett 6: 2875-2880 (1996)
Article DOI: 10.1016/S0960-894X(96)00529-X
BindingDB Entry DOI: 10.7270/Q27D2V3C |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(Homo sapiens (Human)) | BDBM50403594
(CHEMBL2112403)Show SMILES OC(=O)[C@@H]1Cc2cccc3CC[C@H](NC(=O)[C@@H](S)Cc4ccccc4)C(=O)N1c23 Show InChI InChI=1S/C22H22N2O4S/c25-20(18(29)11-13-5-2-1-3-6-13)23-16-10-9-14-7-4-8-15-12-17(22(27)28)24(19(14)15)21(16)26/h1-8,16-18,29H,9-12H2,(H,23,25)(H,27,28)/t16-,17-,18-/m0/s1 | PDB
MMDB
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Reactome pathway
KEGG
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| CHEMBL
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PC sid
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| Article
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Angiotensin I converting enzyme |
Bioorg Med Chem Lett 6: 2875-2880 (1996)
Article DOI: 10.1016/S0960-894X(96)00529-X
BindingDB Entry DOI: 10.7270/Q27D2V3C |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(Homo sapiens (Human)) | BDBM50288349
((S)-5-((2S,3R)-2-Mercapto-3-methyl-pentanoylamino)...)Show SMILES CC[C@@H](C)[C@H](S)C(=O)NC1CCc2cccc3C[C@H](N(c23)C1=O)C(O)=O Show InChI InChI=1S/C19H24N2O4S/c1-3-10(2)16(26)17(22)20-13-8-7-11-5-4-6-12-9-14(19(24)25)21(15(11)12)18(13)23/h4-6,10,13-14,16,26H,3,7-9H2,1-2H3,(H,20,22)(H,24,25)/t10-,13?,14+,16+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
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| CHEMBL
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PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Angiotensin I converting enzyme |
Bioorg Med Chem Lett 6: 2875-2880 (1996)
Article DOI: 10.1016/S0960-894X(96)00529-X
BindingDB Entry DOI: 10.7270/Q27D2V3C |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(Homo sapiens (Human)) | BDBM50027480
(1-(6-Benzoylamino-5-oxo-7-phenyl-heptanoyl)-pyrrol...)Show SMILES OC(=O)[C@H]1CCCN1C(=O)CCCC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1 Show InChI InChI=1S/C25H28N2O5/c28-22(14-7-15-23(29)27-16-8-13-21(27)25(31)32)20(17-18-9-3-1-4-10-18)26-24(30)19-11-5-2-6-12-19/h1-6,9-12,20-21H,7-8,13-17H2,(H,26,30)(H,31,32)/t20?,21-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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antibodypedia
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| CHEMBL
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PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Concentration required for 50% inhibition of Angiotensin I converting enzyme |
J Med Chem 25: 996-9 (1982)
BindingDB Entry DOI: 10.7270/Q2154G1D |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(Homo sapiens (Human)) | BDBM50027153
(1-(6-Benzoylamino-5-oxo-7-phenyl-heptanoyl)-pyrrol...)Show SMILES OC(=O)[C@@H]1CCCN1C(=O)CCCC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1 Show InChI InChI=1S/C25H28N2O5/c28-22(14-7-15-23(29)27-16-8-13-21(27)25(31)32)20(17-18-9-3-1-4-10-18)26-24(30)19-11-5-2-6-12-19/h1-6,9-12,20-21H,7-8,13-17H2,(H,26,30)(H,31,32)/t20?,21-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
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| PubMed
| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Concentration required to inhibit the activity of Angiotensin I converting enzyme by 50% |
J Med Chem 24: 964-9 (1982)
BindingDB Entry DOI: 10.7270/Q2959J4Z |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(Homo sapiens (Human)) | BDBM50283644
((S)-3-Biphenyl-4-yl-2-[(S)-3-phenyl-2-((R)-1-phosp...)Show SMILES C[C@H](N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O)P(O)(O)=O Show InChI InChI=1S/C26H29N2O6P/c1-18(35(32,33)34)27-23(16-19-8-4-2-5-9-19)25(29)28-24(26(30)31)17-20-12-14-22(15-13-20)21-10-6-3-7-11-21/h2-15,18,23-24,27H,16-17H2,1H3,(H,28,29)(H,30,31)(H2,32,33,34)/t18-,23+,24+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
GoogleScholar
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| CHEMBL
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PC sid
UniChem
Similars
| Article
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against angiotensin-converting enzyme |
Bioorg Med Chem Lett 4: 2715-2720 (1994)
Article DOI: 10.1016/S0960-894X(01)80703-4
BindingDB Entry DOI: 10.7270/Q2SB467B |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(Homo sapiens (Human)) | BDBM50027150
(1-[5-(2-Methyl-benzoylamino)-4-oxo-6-phenyl-hexano...)Show SMILES Cc1ccccc1C(=O)NC(Cc1ccccc1)C(=O)CCC(=O)N1CCC[C@H]1C(O)=O Show InChI InChI=1S/C25H28N2O5/c1-17-8-5-6-11-19(17)24(30)26-20(16-18-9-3-2-4-10-18)22(28)13-14-23(29)27-15-7-12-21(27)25(31)32/h2-6,8-11,20-21H,7,12-16H2,1H3,(H,26,30)(H,31,32)/t20?,21-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Concentration required to inhibit the activity of Angiotensin I converting enzyme by 50% |
J Med Chem 24: 964-9 (1982)
BindingDB Entry DOI: 10.7270/Q2959J4Z |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(Homo sapiens (Human)) | BDBM50283642
((S)-3-Biphenyl-4-yl-2-{(S)-3-methyl-2-[((R)-phosph...)Show SMILES CC[C@@H](C)[C@H](NCP(O)(O)=O)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O Show InChI InChI=1S/C22H29N2O6P/c1-3-15(2)20(23-14-31(28,29)30)21(25)24-19(22(26)27)13-16-9-11-18(12-10-16)17-7-5-4-6-8-17/h4-12,15,19-20,23H,3,13-14H2,1-2H3,(H,24,25)(H,26,27)(H2,28,29,30)/t15-,19+,20+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against angiotensin-converting enzyme |
Bioorg Med Chem Lett 4: 2715-2720 (1994)
Article DOI: 10.1016/S0960-894X(01)80703-4
BindingDB Entry DOI: 10.7270/Q2SB467B |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(Homo sapiens (Human)) | BDBM50283639
((S)-3-Biphenyl-4-yl-2-[(S)-3-naphthalen-2-yl-2-(ph...)Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@H](Cc1ccc2ccccc2c1)NCP(O)(O)=O Show InChI InChI=1S/C29H29N2O6P/c32-28(26(30-19-38(35,36)37)18-21-12-15-23-8-4-5-9-25(23)16-21)31-27(29(33)34)17-20-10-13-24(14-11-20)22-6-2-1-3-7-22/h1-16,26-27,30H,17-19H2,(H,31,32)(H,33,34)(H2,35,36,37)/t26-,27-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against angiotensin-converting enzyme |
Bioorg Med Chem Lett 4: 2715-2720 (1994)
Article DOI: 10.1016/S0960-894X(01)80703-4
BindingDB Entry DOI: 10.7270/Q2SB467B |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(Homo sapiens (Human)) | BDBM50286720
((S)-1-[(S)-3-Biphenyl-4-yl-2-((S)-2-mercapto-3-phe...)Show SMILES OC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@@H](S)Cc1ccccc1 Show InChI InChI=1S/C29H30N2O4S/c32-27(26(36)19-20-8-3-1-4-9-20)30-24(28(33)31-17-7-12-25(31)29(34)35)18-21-13-15-23(16-14-21)22-10-5-2-6-11-22/h1-6,8-11,13-16,24-26,36H,7,12,17-19H2,(H,30,32)(H,34,35)/t24-,25-,26-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 57 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of angiotensin converting enzyme (ACE) |
Bioorg Med Chem Lett 5: 735-738 (1995)
Article DOI: 10.1016/0960-894X(95)00105-3
BindingDB Entry DOI: 10.7270/Q2611097 |
More data for this
Ligand-Target Pair | |
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