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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 = 'BDBM50406906'   
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))
BDBM50406906
PNG
(CHEMBL80939)
Show SMILES OC(=O)[C@@H]1C=CCn2n1c(=O)n(CS)c2=O |c:4|
Show InChI InChI=1S/C8H9N3O4S/c12-6(13)5-2-1-3-10-7(14)9(4-16)8(15)11(5)10/h1-2,5,16H,3-4H2,(H,12,13)/t5-/m0/s1
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PC cid
PC sid
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Similars

PubMed
n/an/a 708n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Inhibitory activity against angiotensin converting enzyme (ACE)


J Med Chem 36: 2390-403 (1993)


BindingDB Entry DOI: 10.7270/Q2Z320V9
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50406906
PNG
(CHEMBL80939)
Show SMILES OC(=O)[C@@H]1C=CCn2n1c(=O)n(CS)c2=O |c:4|
Show InChI InChI=1S/C8H9N3O4S/c12-6(13)5-2-1-3-10-7(14)9(4-16)8(15)11(5)10/h1-2,5,16H,3-4H2,(H,12,13)/t5-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 2.51E+3n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of angiotensin I converting enzyme in silico


J Med Chem 40: 3161-72 (1997)


Article DOI: 10.1021/jm970211n
BindingDB Entry DOI: 10.7270/Q2MG7QPB
More data for this
Ligand-Target Pair