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SMILES: CC(C)(S)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O

InChI Key: InChIKey=GQQVAGJSBUXNTK-INIZCTEOSA-N

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 4 hits for monomerid = 50411732   
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
Carboxypeptidase A1


(Homo sapiens (Human))
BDBM50411732
PNG
(CHEMBL404044)
Show SMILES CC(C)(S)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C19H21NO3S/c1-19(2,24)18(23)20-16(17(21)22)12-13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-11,16,24H,12H2,1-2H3,(H,20,23)(H,21,22)/t16-/m0/s1
PDB
MMDB

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Article
PubMed
>5.00E+4n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carboxy peptidase A1 by fluorescence assay


Bioorg Med Chem Lett 18: 732-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.048
BindingDB Entry DOI: 10.7270/Q2GT5PCB
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50411732
PNG
(CHEMBL404044)
Show SMILES CC(C)(S)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C19H21NO3S/c1-19(2,24)18(23)20-16(17(21)22)12-13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-11,16,24H,12H2,1-2H3,(H,20,23)(H,21,22)/t16-/m0/s1
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3.40E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACE by fluorescence assay


Bioorg Med Chem Lett 18: 732-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.048
BindingDB Entry DOI: 10.7270/Q2GT5PCB
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme 2


(Homo sapiens (Human))
BDBM50411732
PNG
(CHEMBL404044)
Show SMILES CC(C)(S)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C19H21NO3S/c1-19(2,24)18(23)20-16(17(21)22)12-13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-11,16,24H,12H2,1-2H3,(H,20,23)(H,21,22)/t16-/m0/s1
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PubMed
2.30E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACE2 by fluorescence assay


Bioorg Med Chem Lett 18: 732-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.048
BindingDB Entry DOI: 10.7270/Q2GT5PCB
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50411732
PNG
(CHEMBL404044)
Show SMILES CC(C)(S)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C19H21NO3S/c1-19(2,24)18(23)20-16(17(21)22)12-13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-11,16,24H,12H2,1-2H3,(H,20,23)(H,21,22)/t16-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
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Similars

Article
PubMed
730n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NEP by fluorescence assay


Bioorg Med Chem Lett 18: 732-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.048
BindingDB Entry DOI: 10.7270/Q2GT5PCB
More data for this
Ligand-Target Pair