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SMILES: Cc1ccc(cc1)[C@H]1CC[C@H](N1C(=O)CN[C@@H](CCc1ccccc1)C(O)=O)C(O)=O

InChI Key:

PDB links: 2 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50583451   
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
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50583451
PNG
(CHEMBL5075686)
Show SMILES Cc1ccc(cc1)[C@H]1CC[C@H](N1C(=O)CN[C@@H](CCc1ccccc1)C(O)=O)C(O)=O |r|
PDB
MMDB

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MCE
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
440n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human ACE C-domain expressed in CHO cells using Cbz-Phe-His-Leu as substrate preincubated for 15 mins followed by substrate...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01924
BindingDB Entry DOI: 10.7270/Q2FT8QZ6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50583451
PNG
(CHEMBL5075686)
Show SMILES Cc1ccc(cc1)[C@H]1CC[C@H](N1C(=O)CN[C@@H](CCc1ccccc1)C(O)=O)C(O)=O |r|
PDB
MMDB

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MCE
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
3.40E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human ACE N-domain expressed in CHO cells using Cbz-Phe-His-Leu as substrate preincubated for 15 mins followed by substrate...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01924
BindingDB Entry DOI: 10.7270/Q2FT8QZ6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neprilysin


(Homo sapiens (Human))
BDBM50583451
PNG
(CHEMBL5075686)
Show SMILES Cc1ccc(cc1)[C@H]1CC[C@H](N1C(=O)CN[C@@H](CCc1ccccc1)C(O)=O)C(O)=O |r|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
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MCE
PC cid
PC sid
PDB
UniChem
Article
PubMed
>5.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of hGH-8His-NEP expressed in CHO cells preincubated for 15 mins followed by MCA-RPPGFDAFK-(Dnp)-OH peptide substrate addition by fluoresce...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01924
BindingDB Entry DOI: 10.7270/Q2FT8QZ6
More data for this
Ligand-Target Pair