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BDBM50403277 CHEMBL61566

SMILES: CCCN1CCC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C(=O)N1CC(O)=O

InChI Key: InChIKey=HLQMBZAFWTZNAX-HOTGVXAUSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50403277   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Neprilysin


(Homo sapiens (Human))
BDBM50403277
PNG
(CHEMBL61566)
Show SMILES CCCN1CCC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C(=O)N1CC(O)=O
Show InChI InChI=1S/C19H27N3O4S/c1-2-10-21-11-6-9-15(19(26)22(21)13-17(23)24)20-18(25)16(27)12-14-7-4-3-5-8-14/h3-5,7-8,15-16,27H,2,6,9-13H2,1H3,(H,20,25)(H,23,24)/t15-,16-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
n/an/a 1.49E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against neutral endopeptidase (NEP) 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))
BDBM50403277
PNG
(CHEMBL61566)
Show SMILES CCCN1CCC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C(=O)N1CC(O)=O
Show InChI InChI=1S/C19H27N3O4S/c1-2-10-21-11-6-9-15(19(26)22(21)13-17(23)24)20-18(25)16(27)12-14-7-4-3-5-8-14/h3-5,7-8,15-16,27H,2,6,9-13H2,1H3,(H,20,25)(H,23,24)/t15-,16-/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/an/a 6n/an/an/an/an/an/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