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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 = 'BDBM50021269'   
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


(Homo sapiens (Human))
BDBM50021269
PNG
(2-(1-Carboxymethyl-2-oxo-azepan-3-ylamino)-4-pheny...)
Show SMILES OC(=O)CN1CCCCC(NC(CCc2ccccc2)C(O)=O)C1=O
Show InChI InChI=1S/C18H24N2O5/c21-16(22)12-20-11-5-4-8-14(17(20)23)19-15(18(24)25)10-9-13-6-2-1-3-7-13/h1-3,6-7,14-15,19H,4-5,8-12H2,(H,21,22)(H,24,25)
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PC cid
PC sid
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Similars

PubMed
n/an/a 19n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration (isomer B) against Angiotensin I converting enzyme


J Med Chem 29: 251-60 (1986)


BindingDB Entry DOI: 10.7270/Q2J67HH7
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50021269
PNG
(2-(1-Carboxymethyl-2-oxo-azepan-3-ylamino)-4-pheny...)
Show SMILES OC(=O)CN1CCCCC(NC(CCc2ccccc2)C(O)=O)C1=O
Show InChI InChI=1S/C18H24N2O5/c21-16(22)12-20-11-5-4-8-14(17(20)23)19-15(18(24)25)10-9-13-6-2-1-3-7-13/h1-3,6-7,14-15,19H,4-5,8-12H2,(H,21,22)(H,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

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



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration (isomer A) against Angiotensin I converting enzyme


J Med Chem 29: 251-60 (1986)


BindingDB Entry DOI: 10.7270/Q2J67HH7
More data for this
Ligand-Target Pair