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BDBM50046262 3-(4-Hydroxy-phenyl)-2-(2-isopropyl-3-mercapto-5-phenyl-pentanoylamino)-propionic acid::CHEMBL172787

SMILES: CC(C)C(C(S)CCc1ccccc1)C(=O)NC(Cc1ccc(O)cc1)C(O)=O

InChI Key: InChIKey=MRMCDOJCJDRNSO-UHFFFAOYSA-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 = 50046262   
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))
BDBM50046262
PNG
(3-(4-Hydroxy-phenyl)-2-(2-isopropyl-3-mercapto-5-p...)
Show SMILES CC(C)C(C(S)CCc1ccccc1)C(=O)NC(Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C23H29NO4S/c1-15(2)21(20(29)13-10-16-6-4-3-5-7-16)22(26)24-19(23(27)28)14-17-8-11-18(25)12-9-17/h3-9,11-12,15,19-21,25,29H,10,13-14H2,1-2H3,(H,24,26)(H,27,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
PubMed
n/an/a 4.50E+3n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibitory concentration was evaluated by inhibiting 50% of Angiotensin I Converting Enzyme activity using 50 microM N-Cbz-Phe-His-Leu as substrate


J Med Chem 36: 87-94 (1993)


BindingDB Entry DOI: 10.7270/Q26972NK
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50046262
PNG
(3-(4-Hydroxy-phenyl)-2-(2-isopropyl-3-mercapto-5-p...)
Show SMILES CC(C)C(C(S)CCc1ccccc1)C(=O)NC(Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C23H29NO4S/c1-15(2)21(20(29)13-10-16-6-4-3-5-7-16)22(26)24-19(23(27)28)14-17-8-11-18(25)12-9-17/h3-9,11-12,15,19-21,25,29H,10,13-14H2,1-2H3,(H,24,26)(H,27,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
PubMed
n/an/a 53n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibitory concentration was evaluated by Inhibiting 50% of Neutral endopeptidase enzyme (NEP) activity using 20 nM [3H]-D-Ala2-Leu-enkephalin as sub...


J Med Chem 36: 87-94 (1993)


BindingDB Entry DOI: 10.7270/Q26972NK
More data for this
Ligand-Target Pair