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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 = 'BDBM50021114'   
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)
BDBM50021114
PNG
(CHEMBL282987 | tripotassium (2S)-1-[(2S)-2-(phosph...)
Show SMILES C[C@H](NP([O-])([O-])=O)C(=O)N1CCC[C@H]1C([O-])=O
Show InChI InChI=1S/C8H15N2O6P/c1-5(9-17(14,15)16)7(11)10-4-2-3-6(10)8(12)13/h5-6H,2-4H2,1H3,(H,12,13)(H3,9,14,15,16)/p-3/t5-,6-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
1.40n/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)
BDBM50021114
PNG
(CHEMBL282987 | tripotassium (2S)-1-[(2S)-2-(phosph...)
Show SMILES C[C@H](NP([O-])([O-])=O)C(=O)N1CCC[C@H]1C([O-])=O
Show InChI InChI=1S/C8H15N2O6P/c1-5(9-17(14,15)16)7(11)10-4-2-3-6(10)8(12)13/h5-6H,2-4H2,1H3,(H,12,13)(H3,9,14,15,16)/p-3/t5-,6-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 700n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Angiotensin I converting enzyme was evaluated


J Med Chem 28: 1422-7 (1985)


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