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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 = 'BDBM50406897'   
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))
BDBM50406897
PNG
(CHEMBL79190)
Show SMILES OC(=O)[C@@H]1CCCN2N1C(=O)[C@H](CS)CC2=O
Show InChI InChI=1S/C10H14N2O4S/c13-8-4-6(5-17)9(14)12-7(10(15)16)2-1-3-11(8)12/h6-7,17H,1-5H2,(H,15,16)/t6-,7-/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 71n/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))
BDBM50406897
PNG
(CHEMBL79190)
Show SMILES OC(=O)[C@@H]1CCCN2N1C(=O)[C@H](CS)CC2=O
Show InChI InChI=1S/C10H14N2O4S/c13-8-4-6(5-17)9(14)12-7(10(15)16)2-1-3-11(8)12/h6-7,17H,1-5H2,(H,15,16)/t6-,7-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 126n/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