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Target
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Compile Data Set for Download or QSAR
Found
7
hits Enz. Inhib. hit(s) with Target = 'Angiotensin-converting enzyme 2' and Ligand = 'BDBM50233798'
Target/Host
(Institution)
Ligand
Target/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
k
off
s
-1
k
on
M
-1
s
-1
pH
Temp
°C
Angiotensin-converting enzyme 2
(Homo sapiens (Human))
BDBM50233798
(CHEMBL398940 | N-(2-aminoethyl)-1-aziridine-ethana...)
Show SMILES
NCCNCCN1CC1
Show InChI
InChI=1S/C6H15N3/c7-1-2-8-3-4-9-5-6-9/h8H,1-7H2
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
Article
PubMed
4.59E+5
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
University of Bonn
Assay Description
This is a review article.
Med Res Rev
(2020)
Article DOI:
10.1002/med.21724
BindingDB Entry DOI:
10.7270/Q2JS9ST6
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme 2
(Homo sapiens (Human))
BDBM50233798
(CHEMBL398940 | N-(2-aminoethyl)-1-aziridine-ethana...)
Show SMILES
NCCNCCN1CC1
Show InChI
InChI=1S/C6H15N3/c7-1-2-8-3-4-9-5-6-9/h8H,1-7H2
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
4.59E+5
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme 2
(Homo sapiens (Human))
BDBM50233798
(CHEMBL398940 | N-(2-aminoethyl)-1-aziridine-ethana...)
Show SMILES
NCCNCCN1CC1
Show InChI
InChI=1S/C6H15N3/c7-1-2-8-3-4-9-5-6-9/h8H,1-7H2
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
4.59E+5
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Functional Histamine H1 receptor antagonistic activity in vitro assay on guinea pig ileum
Citation and Details
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme 2
(Homo sapiens (Human))
BDBM50233798
(CHEMBL398940 | N-(2-aminoethyl)-1-aziridine-ethana...)
Show SMILES
NCCNCCN1CC1
Show InChI
InChI=1S/C6H15N3/c7-1-2-8-3-4-9-5-6-9/h8H,1-7H2
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
n/a
n/a
5.70E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Functional H2 receptor antagonistic activity in vitro assay on the isolated spontaneously beating guinea-pig right atrium
Citation and Details
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme 2
(Homo sapiens (Human))
BDBM50233798
(CHEMBL398940 | N-(2-aminoethyl)-1-aziridine-ethana...)
Show SMILES
NCCNCCN1CC1
Show InChI
InChI=1S/C6H15N3/c7-1-2-8-3-4-9-5-6-9/h8H,1-7H2
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
Article
PubMed
n/a
n/a
5.70E+4
n/a
n/a
n/a
n/a
n/a
n/a
University of Bonn
Assay Description
This is a review article.
Med Res Rev
(2020)
Article DOI:
10.1002/med.21724
BindingDB Entry DOI:
10.7270/Q2JS9ST6
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme 2
(Homo sapiens (Human))
BDBM50233798
(CHEMBL398940 | N-(2-aminoethyl)-1-aziridine-ethana...)
Show SMILES
NCCNCCN1CC1
Show InChI
InChI=1S/C6H15N3/c7-1-2-8-3-4-9-5-6-9/h8H,1-7H2
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
Article
PubMed
n/a
n/a
5.70E+4
n/a
n/a
n/a
n/a
n/a
n/a
GlaxoSmithKline
Curated by
ChEMBL
Assay Description
Inhibition of ACE2
Bioorg Med Chem Lett
18:
1681
-
7
(2008)
Article DOI:
10.1016/j.bmcl.2008.01.046
BindingDB Entry DOI:
10.7270/Q29K49Z2
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme 2
(Homo sapiens (Human))
BDBM50233798
(CHEMBL398940 | N-(2-aminoethyl)-1-aziridine-ethana...)
Show SMILES
NCCNCCN1CC1
Show InChI
InChI=1S/C6H15N3/c7-1-2-8-3-4-9-5-6-9/h8H,1-7H2
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
n/a
n/a
5.70E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
More data for this
Ligand-Target Pair
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