BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 414.4
BDBM50016764

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
Angiotensin-converting enzyme


(Rattus norvegicus)
BDBM50016764
PNG
(2-[1-(1-Carboxy-2-hydroxy-ethylcarbamoyl)-2-phenyl...)
Show SMILES OC[C@H](NC(=O)[C@H](Cc1ccccc1)N[C@@H](CCc1ccccc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C22H26N2O6/c25-14-19(22(29)30)24-20(26)18(13-16-9-5-2-6-10-16)23-17(21(27)28)12-11-15-7-3-1-4-8-15/h1-10,17-19,23,25H,11-14H2,(H,24,26)(H,27,28)(H,29,30)/t17-,18-,19-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 320n/an/an/an/an/an/a



Schering-Plough Research

Curated by ChEMBL


Assay Description
Compound was evaluated for the ability to inhibit Angiotensin I converting enzyme in rat


J Med Chem 32: 737-9 (1989)


BindingDB Entry DOI: 10.7270/Q2BV7FMF
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50016764
PNG
(2-[1-(1-Carboxy-2-hydroxy-ethylcarbamoyl)-2-phenyl...)
Show SMILES OC[C@H](NC(=O)[C@H](Cc1ccccc1)N[C@@H](CCc1ccccc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C22H26N2O6/c25-14-19(22(29)30)24-20(26)18(13-16-9-5-2-6-10-16)23-17(21(27)28)12-11-15-7-3-1-4-8-15/h1-10,17-19,23,25H,11-14H2,(H,24,26)(H,27,28)(H,29,30)/t17-,18-,19-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 393n/an/an/an/an/an/a



Schering-Plough Research

Curated by ChEMBL


Assay Description
Compound was evaluated for the ability to inhibit neutral endopeptidase purified from rabbit kidney


J Med Chem 32: 737-9 (1989)


BindingDB Entry DOI: 10.7270/Q2BV7FMF
More data for this
Ligand-Target Pair