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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Angiotensin-converting enzyme' and Ligand = 'BDBM50021119'   
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


(Oryctolagus cuniculus)
BDBM50021119
PNG
(CHEMBL34389 | disodium (2S)-1-((2S)-2-{[(2-phenyle...)
Show SMILES C[C@H](NP([O-])(=O)CCc1ccccc1)C(=O)N1CCC[C@H]1C([O-])=O
Show InChI InChI=1S/C16H23N2O5P/c1-12(15(19)18-10-5-8-14(18)16(20)21)17-24(22,23)11-9-13-6-3-2-4-7-13/h2-4,6-7,12,14H,5,8-11H2,1H3,(H,20,21)(H2,17,22,23)/p-2/t12-,14-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
0.5n/an/an/an/an/an/a7.5n/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Angiotensin I converting enzyme from rabbit lungs at pH 7.5


J Med Chem 28: 1422-7 (1985)


BindingDB Entry DOI: 10.7270/Q2Z60N24
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50021119
PNG
(CHEMBL34389 | disodium (2S)-1-((2S)-2-{[(2-phenyle...)
Show SMILES C[C@H](NP([O-])(=O)CCc1ccccc1)C(=O)N1CCC[C@H]1C([O-])=O
Show InChI InChI=1S/C16H23N2O5P/c1-12(15(19)18-10-5-8-14(18)16(20)21)17-24(22,23)11-9-13-6-3-2-4-7-13/h2-4,6-7,12,14H,5,8-11H2,1H3,(H,20,21)(H2,17,22,23)/p-2/t12-,14-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 7n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Angiotensin I converting enzyme from rabbit lungs at pH 7.5


J Med Chem 28: 1422-7 (1985)


BindingDB Entry DOI: 10.7270/Q2Z60N24
More data for this
Ligand-Target Pair