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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 = 'BDBM50044234'   
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))
BDBM50044234
PNG
(1-[2-(1-Carboxy-ethylamino)-propionyl]-pyrrolidine...)
Show SMILES C[C@@H](NCC(O)=O)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C10H16N2O5/c1-6(11-5-8(13)14)9(15)12-4-2-3-7(12)10(16)17/h6-7,11H,2-5H2,1H3,(H,13,14)(H,16,17)/t6-,7+/m1/s1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.40E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Angiotensin I converting enzyme (ACE) in Bothrops jararaca venom


J Med Chem 45: 5609-16 (2002)


Article DOI: 10.1021/jm020424z
BindingDB Entry DOI: 10.7270/Q270825W
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50044234
PNG
(1-[2-(1-Carboxy-ethylamino)-propionyl]-pyrrolidine...)
Show SMILES C[C@@H](NCC(O)=O)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C10H16N2O5/c1-6(11-5-8(13)14)9(15)12-4-2-3-7(12)10(16)17/h6-7,11H,2-5H2,1H3,(H,13,14)(H,16,17)/t6-,7+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.40E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Angiotensin I converting enzyme


J Med Chem 36: 2051-8 (1993)


Article DOI: 10.1021/jm00067a001
BindingDB Entry DOI: 10.7270/Q2NP2524
More data for this
Ligand-Target Pair