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Compile Data Set for Download or QSAR

Found 12 hits with Last Name = 'jin' and Initial = 'jy'   
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
Carboxypeptidase A1


(Homo sapiens (Human))
BDBM50373038
PNG
(CHEMBL407567)
Show SMILES OC(=O)[C@H](Cc1ccccc1)C[N+]([O-])=O |r|
Show InChI InChI=1S/C10H11NO4/c12-10(13)9(7-11(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)/t9-/m1/s1
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Article
PubMed
150n/an/an/an/an/an/an/an/a



Yanbian University

Curated by ChEMBL


Assay Description
Inhibition of CPA


Bioorg Med Chem 16: 3596-601 (2008)


Article DOI: 10.1016/j.bmc.2008.02.010
BindingDB Entry DOI: 10.7270/Q25Q4WZ7
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Homo sapiens (Human))
BDBM50301283
PNG
((R)-2-benzyl-5-nitro-4-oxopentanoic acid | CHEMBL5...)
Show SMILES OC(=O)[C@@H](CC(=O)C[N+]([O-])=O)Cc1ccccc1 |r|
Show InChI InChI=1S/C12H13NO5/c14-11(8-13(17)18)7-10(12(15)16)6-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,15,16)/t10-/m1/s1
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Article
PubMed
160n/an/an/an/an/an/an/an/a



Yanbian University

Curated by ChEMBL


Assay Description
Inhibition of Carboxypeptidase A assessed as amount of Cl-CPL consumed by UV spectrometer


Bioorg Med Chem Lett 19: 5009-11 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.060
BindingDB Entry DOI: 10.7270/Q2F47P73
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Homo sapiens (Human))
BDBM50301281
PNG
((+/-)-2-benzyl-5,5,5-trifluoro-4-oxopentanoic acid...)
Show SMILES OC(=O)C(CC(=O)C(F)(F)F)Cc1ccccc1
Show InChI InChI=1S/C12H11F3O3/c13-12(14,15)10(16)7-9(11(17)18)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,17,18)
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200n/an/an/an/an/an/an/an/a



Yanbian University

Curated by ChEMBL


Assay Description
Inhibition of Carboxypeptidase A assessed as amount of Cl-CPL consumed by UV spectrometer


Bioorg Med Chem Lett 19: 5009-11 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.060
BindingDB Entry DOI: 10.7270/Q2F47P73
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Homo sapiens (Human))
BDBM50301282
PNG
((+/-)-2-benzyl-5-nitro-4-oxopentanoic acid | CHEMB...)
Show SMILES OC(=O)C(CC(=O)C[N+]([O-])=O)Cc1ccccc1
Show InChI InChI=1S/C12H13NO5/c14-11(8-13(17)18)7-10(12(15)16)6-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,15,16)
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430n/an/an/an/an/an/an/an/a



Yanbian University

Curated by ChEMBL


Assay Description
Inhibition of Carboxypeptidase A assessed as amount of Cl-CPL consumed by UV spectrometer


Bioorg Med Chem Lett 19: 5009-11 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.060
BindingDB Entry DOI: 10.7270/Q2F47P73
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Homo sapiens (Human))
BDBM50373036
PNG
(CHEMBL259621)
Show SMILES OC(=O)C[C@@H](Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C11H12O4/c12-10(13)7-9(11(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)(H,14,15)/t9-/m1/s1
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Article
PubMed
450n/an/an/an/an/an/an/an/a



Yanbian University

Curated by ChEMBL


Assay Description
Inhibition of CPA


Bioorg Med Chem 16: 3596-601 (2008)


Article DOI: 10.1016/j.bmc.2008.02.010
BindingDB Entry DOI: 10.7270/Q25Q4WZ7
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Homo sapiens (Human))
BDBM50373037
PNG
(CHEMBL261332)
Show SMILES OC(=O)[C@@H](Cc1ccccc1)C[N+]([O-])=O
Show InChI InChI=1S/C10H11NO4/c12-10(13)9(7-11(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)/t9-/m0/s1
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PubMed
790n/an/an/an/an/an/an/an/a



Yanbian University

Curated by ChEMBL


Assay Description
Inhibition of CPA


Bioorg Med Chem 16: 3596-601 (2008)


Article DOI: 10.1016/j.bmc.2008.02.010
BindingDB Entry DOI: 10.7270/Q25Q4WZ7
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Homo sapiens (Human))
BDBM50373039
PNG
(CHEMBL407566)
Show SMILES CC(C)CC(C[N+]([O-])=O)C(O)=O |w:4.4|
Show InChI InChI=1S/C7H13NO4/c1-5(2)3-6(7(9)10)4-8(11)12/h5-6H,3-4H2,1-2H3,(H,9,10)
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2.08E+3n/an/an/an/an/an/an/an/a



Yanbian University

Curated by ChEMBL


Assay Description
Inhibition of CPA


Bioorg Med Chem 16: 3596-601 (2008)


Article DOI: 10.1016/j.bmc.2008.02.010
BindingDB Entry DOI: 10.7270/Q25Q4WZ7
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Homo sapiens (Human))
BDBM50301280
PNG
((+/-)-2-benzyl-5-bromo-4-oxopentanoic acid | CHEMB...)
Show SMILES OC(=O)C(CC(=O)CBr)Cc1ccccc1
Show InChI InChI=1S/C12H13BrO3/c13-8-11(14)7-10(12(15)16)6-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,15,16)
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1.50E+4n/an/an/an/an/an/an/an/a



Yanbian University

Curated by ChEMBL


Assay Description
Inhibition of Carboxypeptidase A assessed as amount of Cl-CPL consumed by UV spectrometer


Bioorg Med Chem Lett 19: 5009-11 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.060
BindingDB Entry DOI: 10.7270/Q2F47P73
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Homo sapiens (Human))
BDBM50301284
PNG
((S)-2-benzyl-5-nitro-4-oxopentanoic acid | CHEMBL5...)
Show SMILES OC(=O)[C@H](CC(=O)C[N+]([O-])=O)Cc1ccccc1 |r|
Show InChI InChI=1S/C12H13NO5/c14-11(8-13(17)18)7-10(12(15)16)6-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,15,16)/t10-/m0/s1
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PubMed
3.10E+4n/an/an/an/an/an/an/an/a



Yanbian University

Curated by ChEMBL


Assay Description
Inhibition of Carboxypeptidase A assessed as amount of Cl-CPL consumed by UV spectrometer


Bioorg Med Chem Lett 19: 5009-11 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.060
BindingDB Entry DOI: 10.7270/Q2F47P73
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Homo sapiens (Human))
BDBM50373035
PNG
(CHEMBL259221)
Show SMILES OC(=O)C(CC=C)C[N+]([O-])=O |w:3.6|
Show InChI InChI=1S/C6H9NO4/c1-2-3-5(6(8)9)4-7(10)11/h2,5H,1,3-4H2,(H,8,9)
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PubMed
6.26E+4n/an/an/an/an/an/an/an/a



Yanbian University

Curated by ChEMBL


Assay Description
Inhibition of CPA


Bioorg Med Chem 16: 3596-601 (2008)


Article DOI: 10.1016/j.bmc.2008.02.010
BindingDB Entry DOI: 10.7270/Q25Q4WZ7
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Homo sapiens (Human))
BDBM50373037
PNG
(CHEMBL261332)
Show SMILES OC(=O)[C@@H](Cc1ccccc1)C[N+]([O-])=O
Show InChI InChI=1S/C10H11NO4/c12-10(13)9(7-11(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)/t9-/m0/s1
PDB
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KEGG

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GoogleScholar
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CHEMBL
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PC sid
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Similars

Article
PubMed
6.80E+4n/an/an/an/an/an/an/an/a



Yanbian University

Curated by ChEMBL


Assay Description
Inhibition of CPA


Bioorg Med Chem 16: 3596-601 (2008)


Article DOI: 10.1016/j.bmc.2008.02.010
BindingDB Entry DOI: 10.7270/Q25Q4WZ7
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Homo sapiens (Human))
BDBM50301279
PNG
((+/-)-2-benzyl-4-oxopentanoic acid | CHEMBL568460)
Show SMILES CC(=O)CC(Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C12H14O3/c1-9(13)7-11(12(14)15)8-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H,14,15)
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Article
PubMed
2.07E+5n/an/an/an/an/an/an/an/a



Yanbian University

Curated by ChEMBL


Assay Description
Inhibition of Carboxypeptidase A assessed as amount of Cl-CPL consumed by UV spectrometer


Bioorg Med Chem Lett 19: 5009-11 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.060
BindingDB Entry DOI: 10.7270/Q2F47P73
More data for this
Ligand-Target Pair