Found 5 hits Enz. Inhib. hit(s) with Target = 'Angiotensin-converting enzyme' and Ligand = 'BDBM50048512' 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
(Oryctolagus cuniculus) | BDBM50048512
(CHEMBL299639 | [(S)-3-((S)-2-Mercapto-3-phenyl-pro...)Show SMILES OC(=O)CN1c2ccccc2CC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C1=O Show InChI InChI=1S/C21H22N2O4S/c24-19(25)13-23-17-9-5-4-8-15(17)10-11-16(21(23)27)22-20(26)18(28)12-14-6-2-1-3-7-14/h1-9,16,18,28H,10-13H2,(H,22,26)(H,24,25)/t16-,18-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro inhibition of Angiotensin I converting enzyme isolated from rabbit lung extract. |
J Med Chem 39: 494-502 (1996)
Article DOI: 10.1021/jm950677a
BindingDB Entry DOI: 10.7270/Q2GF0SM1 |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme
(Homo sapiens (Human)) | BDBM50048512
(CHEMBL299639 | [(S)-3-((S)-2-Mercapto-3-phenyl-pro...)Show SMILES OC(=O)CN1c2ccccc2CC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C1=O Show InChI InChI=1S/C21H22N2O4S/c24-19(25)13-23-17-9-5-4-8-15(17)10-11-16(21(23)27)22-20(26)18(28)12-14-6-2-1-3-7-14/h1-9,16,18,28H,10-13H2,(H,22,26)(H,24,25)/t16-,18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested in vitro for inhibition of Angiotensin converting enzyme (ACE) |
Bioorg Med Chem Lett 4: 1789-1794 (1994)
Article DOI: 10.1016/S0960-894X(01)80372-3
BindingDB Entry DOI: 10.7270/Q22Z16PQ |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme
(Homo sapiens (Human)) | BDBM50048512
(CHEMBL299639 | [(S)-3-((S)-2-Mercapto-3-phenyl-pro...)Show SMILES OC(=O)CN1c2ccccc2CC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C1=O Show InChI InChI=1S/C21H22N2O4S/c24-19(25)13-23-17-9-5-4-8-15(17)10-11-16(21(23)27)22-20(26)18(28)12-14-6-2-1-3-7-14/h1-9,16,18,28H,10-13H2,(H,22,26)(H,24,25)/t16-,18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| | n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme
(Homo sapiens (Human)) | BDBM50048512
(CHEMBL299639 | [(S)-3-((S)-2-Mercapto-3-phenyl-pro...)Show SMILES OC(=O)CN1c2ccccc2CC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C1=O Show InChI InChI=1S/C21H22N2O4S/c24-19(25)13-23-17-9-5-4-8-15(17)10-11-16(21(23)27)22-20(26)18(28)12-14-6-2-1-3-7-14/h1-9,16,18,28H,10-13H2,(H,22,26)(H,24,25)/t16-,18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against angiotensin converting enzyme (ACE) in rat was determined |
Bioorg Med Chem Lett 4: 2055-2060 (1994)
Article DOI: 10.1016/S0960-894X(01)80562-X
BindingDB Entry DOI: 10.7270/Q2PN96SK |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme
(Homo sapiens (Human)) | BDBM50048512
(CHEMBL299639 | [(S)-3-((S)-2-Mercapto-3-phenyl-pro...)Show SMILES OC(=O)CN1c2ccccc2CC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C1=O Show InChI InChI=1S/C21H22N2O4S/c24-19(25)13-23-17-9-5-4-8-15(17)10-11-16(21(23)27)22-20(26)18(28)12-14-6-2-1-3-7-14/h1-9,16,18,28H,10-13H2,(H,22,26)(H,24,25)/t16-,18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 12 | 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 4: 1795-1800 (1994)
Article DOI: 10.1016/S0960-894X(01)80373-5
BindingDB Entry DOI: 10.7270/Q2Z60Q76 |
More data for this
Ligand-Target Pair | |
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