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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50046259   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50046259
PNG
(2-[2-(2-Benzyl-3-mercapto-butyrylamino)-3-methyl-b...)
Show SMILES CC(C)C(NC(=O)C(Cc1ccccc1)C(C)S)C(=O)NC(Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C25H32N2O5S/c1-15(2)22(27-23(29)20(16(3)33)13-17-7-5-4-6-8-17)24(30)26-21(25(31)32)14-18-9-11-19(28)12-10-18/h4-12,15-16,20-22,28,33H,13-14H2,1-3H3,(H,26,30)(H,27,29)(H,31,32)
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MMDB

KEGG

UniProtKB/SwissProt

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GoogleScholar
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CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 320n/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
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50046259
PNG
(2-[2-(2-Benzyl-3-mercapto-butyrylamino)-3-methyl-b...)
Show SMILES CC(C)C(NC(=O)C(Cc1ccccc1)C(C)S)C(=O)NC(Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C25H32N2O5S/c1-15(2)22(27-23(29)20(16(3)33)13-17-7-5-4-6-8-17)24(30)26-21(25(31)32)14-18-9-11-19(28)12-10-18/h4-12,15-16,20-22,28,33H,13-14H2,1-3H3,(H,26,30)(H,27,29)(H,31,32)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 1.30E+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