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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50048308   
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


(Rattus norvegicus (Rat))
BDBM50048308
PNG
((S)-3-(4-Hydroxy-phenyl)-2-{[1-((S)-2-mercapto-3-m...)
Show SMILES CC(C)[C@H](S)C(=O)NC1(CC1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C18H24N2O5S/c1-10(2)14(26)15(22)20-18(7-8-18)17(25)19-13(16(23)24)9-11-3-5-12(21)6-4-11/h3-6,10,13-14,21,26H,7-9H2,1-2H3,(H,19,25)(H,20,22)(H,23,24)/t13-,14-/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 5n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Evaluation of in vitro inhibitory activity against Neutral endopeptidase


J Med Chem 38: 5023-30 (1996)


BindingDB Entry DOI: 10.7270/Q26D5TMH
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50048308
PNG
((S)-3-(4-Hydroxy-phenyl)-2-{[1-((S)-2-mercapto-3-m...)
Show SMILES CC(C)[C@H](S)C(=O)NC1(CC1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C18H24N2O5S/c1-10(2)14(26)15(22)20-18(7-8-18)17(25)19-13(16(23)24)9-11-3-5-12(21)6-4-11/h3-6,10,13-14,21,26H,7-9H2,1-2H3,(H,19,25)(H,20,22)(H,23,24)/t13-,14-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 15n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Evaluation of in vitro inhibitory activity against Angiotensin I converting enzyme


J Med Chem 38: 5023-30 (1996)


BindingDB Entry DOI: 10.7270/Q26D5TMH
More data for this
Ligand-Target Pair