BDBM50403252 CHEMBL54036
SMILES: OC(=O)CN1c2ccccc2OC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C1=O
InChI Key: InChIKey=YQDOHAUNEYURLH-YOEHRIQHSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50403252 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Neprilysin
(Homo sapiens (Human)) | BDBM50403252
(CHEMBL54036)Show SMILES OC(=O)CN1c2ccccc2OC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C1=O Show InChI InChI=1S/C20H20N2O5S/c23-18(24)11-22-15-8-4-5-9-16(15)27-12-14(20(22)26)21-19(25)17(28)10-13-6-2-1-3-7-13/h1-9,14,17,28H,10-12H2,(H,21,25)(H,23,24)/t14-,17-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested in vitro for inhibition of neutral endopeptidase (NEP) |
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)) | BDBM50403252
(CHEMBL54036)Show SMILES OC(=O)CN1c2ccccc2OC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C1=O Show InChI InChI=1S/C20H20N2O5S/c23-18(24)11-22-15-8-4-5-9-16(15)27-12-14(20(22)26)21-19(25)17(28)10-13-6-2-1-3-7-13/h1-9,14,17,28H,10-12H2,(H,21,25)(H,23,24)/t14-,17-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 28 | 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 | |
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