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BDBM50085453 (S)-2-{(S)-2-[2-(Formyl-hydroxy-amino)-3-phenyl-propionylamino]-4-methyl-pentanoylamino}-3-phenyl-propionic acid::CHEMBL2370089

SMILES: CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)N(O)C=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O

InChI Key: InChIKey=UNZLRPMTWSYJOJ-FKBYEOEOSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50085453   
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
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50085453
PNG
((S)-2-{(S)-2-[2-(Formyl-hydroxy-amino)-3-phenyl-pr...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)N(O)C=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C25H31N3O6/c1-17(2)13-20(23(30)27-21(25(32)33)14-18-9-5-3-6-10-18)26-24(31)22(28(34)16-29)15-19-11-7-4-8-12-19/h3-12,16-17,20-22,34H,13-15H2,1-2H3,(H,26,31)(H,27,30)(H,32,33)/t20-,21-,22-/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 9.30E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Neutral endopeptidase


Bioorg Med Chem Lett 10: 257-60 (2000)


BindingDB Entry DOI: 10.7270/Q2BK1BJ8
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50085453
PNG
((S)-2-{(S)-2-[2-(Formyl-hydroxy-amino)-3-phenyl-pr...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)N(O)C=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C25H31N3O6/c1-17(2)13-20(23(30)27-21(25(32)33)14-18-9-5-3-6-10-18)26-24(31)22(28(34)16-29)15-19-11-7-4-8-12-19/h3-12,16-17,20-22,34H,13-15H2,1-2H3,(H,26,31)(H,27,30)(H,32,33)/t20-,21-,22-/m0/s1
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 2.28E+5n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Angiotensin I converting enzyme


Bioorg Med Chem Lett 10: 257-60 (2000)


BindingDB Entry DOI: 10.7270/Q2BK1BJ8
More data for this
Ligand-Target Pair