new BindingDB logo
myBDB logout

BDBM50041070 3-(4-Hydroxy-phenyl)-2-(2-mercaptomethyl-3-phenyl-pentanoylamino)-propionic acid::CHEMBL267766

SMILES: CCC(C(CS)C(=O)NC(Cc1ccc(O)cc1)C(O)=O)c1ccccc1

InChI Key: InChIKey=VSQPNZDSQUXZGW-UHFFFAOYSA-N

Data: 2 IC50

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 2 hits for monomerid = 50041070   
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


(Mus musculus)
BDBM50041070
PNG
(3-(4-Hydroxy-phenyl)-2-(2-mercaptomethyl-3-phenyl-...)
Show SMILES CCC(C(CS)C(=O)NC(Cc1ccc(O)cc1)C(O)=O)c1ccccc1
Show InChI InChI=1S/C21H25NO4S/c1-2-17(15-6-4-3-5-7-15)18(13-27)20(24)22-19(21(25)26)12-14-8-10-16(23)11-9-14/h3-11,17-19,23,27H,2,12-13H2,1H3,(H,22,24)(H,25,26)
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 110n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibitory potency against angiotensin converting enzyme by displacement of [3H]-trandolaprilate binding in mouse lung


J Med Chem 37: 1070-83 (1994)


BindingDB Entry DOI: 10.7270/Q26W995T
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50041070
PNG
(3-(4-Hydroxy-phenyl)-2-(2-mercaptomethyl-3-phenyl-...)
Show SMILES CCC(C(CS)C(=O)NC(Cc1ccc(O)cc1)C(O)=O)c1ccccc1
Show InChI InChI=1S/C21H25NO4S/c1-2-17(15-6-4-3-5-7-15)18(13-27)20(24)22-19(21(25)26)12-14-8-10-16(23)11-9-14/h3-11,17-19,23,27H,2,12-13H2,1H3,(H,22,24)(H,25,26)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 2.40n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
In vivo inhibitory potency against neutral endopeptidase by displacement of [3H]-HACBOGly binding in mouse kidney


J Med Chem 37: 1070-83 (1994)


BindingDB Entry DOI: 10.7270/Q26W995T
More data for this
Ligand-Target Pair