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SMILES: CC[C@@H](C)[C@H](NC(=O)[C@H](S)[C@H]([NH3+])CCC([O-])=O)C(=O)N[C@@H](CC(O)=O)C(O)=O

InChI Key: InChIKey=DVQGHYMQIXFLEX-FPNDJTSKSA-N

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50083376   
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
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50083376
PNG
(3-Carboxy-1-{[1-(1,2-dicarboxy-ethylcarbamoyl)-2-m...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](S)[C@H]([NH3+])CCC([O-])=O)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C16H27N3O8S/c1-3-7(2)12(14(24)18-9(16(26)27)6-11(22)23)19-15(25)13(28)8(17)4-5-10(20)21/h7-9,12-13,28H,3-6,17H2,1-2H3,(H,18,24)(H,19,25)(H,20,21)(H,22,23)(H,26,27)/t7-,8-,9+,12+,13-/m1/s1
PDB

UniProtKB/SwissProt

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CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against aminopeptidase N from pig kidney


J Med Chem 42: 5197-211 (2000)


BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Glutamyl aminopeptidase


(Homo sapiens (Human))
BDBM50083376
PNG
(3-Carboxy-1-{[1-(1,2-dicarboxy-ethylcarbamoyl)-2-m...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](S)[C@H]([NH3+])CCC([O-])=O)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C16H27N3O8S/c1-3-7(2)12(14(24)18-9(16(26)27)6-11(22)23)19-15(25)13(28)8(17)4-5-10(20)21/h7-9,12-13,28H,3-6,17H2,1-2H3,(H,18,24)(H,19,25)(H,20,21)(H,22,23)(H,26,27)/t7-,8-,9+,12+,13-/m1/s1
PDB

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antibodypedia
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KEGG
PC cid
PC sid
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Similars

PubMed
3.60n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against recombinant Aminopeptidase A


J Med Chem 42: 5197-211 (2000)


BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)
BDBM50083376
PNG
(3-Carboxy-1-{[1-(1,2-dicarboxy-ethylcarbamoyl)-2-m...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](S)[C@H]([NH3+])CCC([O-])=O)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C16H27N3O8S/c1-3-7(2)12(14(24)18-9(16(26)27)6-11(22)23)19-15(25)13(28)8(17)4-5-10(20)21/h7-9,12-13,28H,3-6,17H2,1-2H3,(H,18,24)(H,19,25)(H,20,21)(H,22,23)(H,26,27)/t7-,8-,9+,12+,13-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
1.80E+3n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against Angiotensin I converting enzyme from rat testis


J Med Chem 42: 5197-211 (2000)


BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50083376
PNG
(3-Carboxy-1-{[1-(1,2-dicarboxy-ethylcarbamoyl)-2-m...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](S)[C@H]([NH3+])CCC([O-])=O)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C16H27N3O8S/c1-3-7(2)12(14(24)18-9(16(26)27)6-11(22)23)19-15(25)13(28)8(17)4-5-10(20)21/h7-9,12-13,28H,3-6,17H2,1-2H3,(H,18,24)(H,19,25)(H,20,21)(H,22,23)(H,26,27)/t7-,8-,9+,12+,13-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
4n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against NEP from rabbit kidney(neutral endopeptidase)


J Med Chem 42: 5197-211 (2000)


BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair