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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 = 'BDBM50021267'   
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))
BDBM50021267
PNG
(2-(1-Carboxymethyl-2-oxo-azocan-3-ylamino)-4-pheny...)
Show SMILES OC(=O)CN1CCCCCC(NC(CCc2ccccc2)C(O)=O)C1=O
Show InChI InChI=1S/C19H26N2O5/c22-17(23)13-21-12-6-2-5-9-15(18(21)24)20-16(19(25)26)11-10-14-7-3-1-4-8-14/h1,3-4,7-8,15-16,20H,2,5-6,9-13H2,(H,22,23)(H,25,26)
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PubMed
n/an/a 4.80n/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))
BDBM50021267
PNG
(2-(1-Carboxymethyl-2-oxo-azocan-3-ylamino)-4-pheny...)
Show SMILES OC(=O)CN1CCCCCC(NC(CCc2ccccc2)C(O)=O)C1=O
Show InChI InChI=1S/C19H26N2O5/c22-17(23)13-21-12-6-2-5-9-15(18(21)24)20-16(19(25)26)11-10-14-7-3-1-4-8-14/h1,3-4,7-8,15-16,20H,2,5-6,9-13H2,(H,22,23)(H,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

PubMed
n/an/a 1.70E+3n/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