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Compile Data Set for Download or QSAR

Found 3 hits of ec50 data for polymerid = 2161   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM21642
PNG
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Show SMILES C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1
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PubMed
n/an/an/an/a 1.85E+4n/an/an/an/a



MRC Laboratory of Molecular Biology, Hills Road, Cambridge, CB2 2QH, UK.

Curated by ChEMBL


Assay Description
Inhibition of human ACE K1087A mutant


Bioorg Med Chem Lett 16: 5084-7 (2006)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM21642
PNG
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Show SMILES C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1
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CHEBI
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PDB
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PDB
PubMed
n/an/an/an/a 2.12E+4n/an/an/an/a



MRC Laboratory of Molecular Biology, Hills Road, Cambridge, CB2 2QH, UK.

Curated by ChEMBL


Assay Description
Inhibition of human ACE C domain


Bioorg Med Chem Lett 16: 5084-7 (2006)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM21642
PNG
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Show SMILES C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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CHEBI
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
PubMed
n/an/an/an/a 1.42E+6n/an/an/an/a



MRC Laboratory of Molecular Biology, Hills Road, Cambridge, CB2 2QH, UK.

Curated by ChEMBL


Assay Description
Inhibition of human ACE Y1096F mutant


Bioorg Med Chem Lett 16: 5084-7 (2006)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)