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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 = 'BDBM50011192'   
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)
BDBM50011192
PNG
((R)-1-[(S)-2-((S)-1-Carboxy-3-phenyl-propylamino)-...)
Show SMILES CC(NC(CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C18H24N2O5/c1-12(16(21)20-11-5-8-15(20)18(24)25)19-14(17(22)23)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,19H,5,8-11H2,1H3,(H,22,23)(H,24,25)/t12?,14?,15-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 0.950n/an/an/an/an/an/a



Research and Development Laboratories

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against angiotensin I converting enzyme


J Med Chem 34: 439-47 (1991)


BindingDB Entry DOI: 10.7270/Q28P5ZGR
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50011192
PNG
((R)-1-[(S)-2-((S)-1-Carboxy-3-phenyl-propylamino)-...)
Show SMILES CC(NC(CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C18H24N2O5/c1-12(16(21)20-11-5-8-15(20)18(24)25)19-14(17(22)23)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,19H,5,8-11H2,1H3,(H,22,23)(H,24,25)/t12?,14?,15-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 5.70n/an/an/an/an/an/a



Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against rabbit lung Angiotensin I converting enzyme with 5 mM hippurylhistidylleucine as substrate


J Med Chem 30: 1984-91 (1987)


BindingDB Entry DOI: 10.7270/Q2Q52NMJ
More data for this
Ligand-Target Pair