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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 446.4
BDBM50021029

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   
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))
BDBM50021029
PNG
(CHEMBL19443 | N-[[(Benzoylamino)methyl]hydroxyphos...)
Show SMILES CC(C)CC(NC(Cc1ccccc1)NP([O-])(=O)CNC(=O)c1ccccc1)C(O)=O
Show InChI InChI=1S/C22H30N3O5P/c1-16(2)13-19(22(27)28)24-20(14-17-9-5-3-6-10-17)25-31(29,30)15-23-21(26)18-11-7-4-8-12-18/h3-12,16,19-20,24H,13-15H2,1-2H3,(H,23,26)(H,27,28)(H2,25,29,30)/p-1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
1.06E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards enkephalinase (metalloendopeptidase, E.C.3.4.24.11) of rat kidney


J Med Chem 28: 1208-16 (1985)


BindingDB Entry DOI: 10.7270/Q2VM4CVV
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme 2


(Rattus norvegicus)
BDBM50021029
PNG
(CHEMBL19443 | N-[[(Benzoylamino)methyl]hydroxyphos...)
Show SMILES CC(C)CC(NC(Cc1ccccc1)NP([O-])(=O)CNC(=O)c1ccccc1)C(O)=O
Show InChI InChI=1S/C22H30N3O5P/c1-16(2)13-19(22(27)28)24-20(14-17-9-5-3-6-10-17)25-31(29,30)15-23-21(26)18-11-7-4-8-12-18/h3-12,16,19-20,24H,13-15H2,1-2H3,(H,23,26)(H,27,28)(H2,25,29,30)/p-1
PDB

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UniProtKB/SwissProt

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
8.50E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Angiotensin I converting enzyme of rat brain IgG immobilized enzyme.


J Med Chem 28: 1208-16 (1985)


BindingDB Entry DOI: 10.7270/Q2VM4CVV
More data for this
Ligand-Target Pair