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Articleid 50028887

Compile data set for download or QSAR
Found 7 hits of Enzyme Inhibition Constant Data   
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


(Bos taurus (bovine))
BDBM50109593
PNG
(2-Benzyl-3-mercapto-propionic acid | 2-Mercaptomet...)
Show SMILES OC(=O)C(CS)Cc1ccccc1
Show InChI InChI=1S/C10H12O2S/c11-10(12)9(7-13)6-8-4-2-1-3-5-8/h1-5,9,13H,6-7H2,(H,11,12)
PDB
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
11n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against carboxypeptidase A (CPA), expressed as inhibitory constant (Ki)


Bioorg Med Chem Lett 1: 323-326 (1991)


Article DOI: 10.1016/S0960-894X(01)80817-9
BindingDB Entry DOI: 10.7270/Q2QR4X1V
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Bos taurus (bovine))
BDBM50279947
PNG
(3-(4-Fluoro-phenyl)-2-mercaptomethyl-propionic aci...)
Show SMILES OC(=O)C(CS)Cc1ccc(F)cc1
Show InChI InChI=1S/C10H11FO2S/c11-9-3-1-7(2-4-9)5-8(6-14)10(12)13/h1-4,8,14H,5-6H2,(H,12,13)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
37n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against carboxypeptidase A (CPA), expressed as inhibitory constant (Ki)


Bioorg Med Chem Lett 1: 323-326 (1991)


Article DOI: 10.1016/S0960-894X(01)80817-9
BindingDB Entry DOI: 10.7270/Q2QR4X1V
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Bos taurus (bovine))
BDBM50279960
PNG
(2-Mercaptomethyl-3-phenyl-butyric acid | CHEMBL109...)
Show SMILES CC(C(CS)C(O)=O)c1ccccc1
Show InChI InChI=1S/C11H14O2S/c1-8(10(7-14)11(12)13)9-5-3-2-4-6-9/h2-6,8,10,14H,7H2,1H3,(H,12,13)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
105n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against carboxypeptidase A (CPA), expressed as inhibitory constant (Ki)


Bioorg Med Chem Lett 1: 323-326 (1991)


Article DOI: 10.1016/S0960-894X(01)80817-9
BindingDB Entry DOI: 10.7270/Q2QR4X1V
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Bos taurus (bovine))
BDBM50279955
PNG
(2-Mercaptomethyl-3-p-tolyl-propionic acid | CHEMBL...)
Show SMILES Cc1ccc(CC(CS)C(O)=O)cc1
Show InChI InChI=1S/C11H14O2S/c1-8-2-4-9(5-3-8)6-10(7-14)11(12)13/h2-5,10,14H,6-7H2,1H3,(H,12,13)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
112n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against carboxypeptidase A (CPA), expressed as inhibitory constant (Ki)


Bioorg Med Chem Lett 1: 323-326 (1991)


Article DOI: 10.1016/S0960-894X(01)80817-9
BindingDB Entry DOI: 10.7270/Q2QR4X1V
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Bos taurus (bovine))
BDBM50279961
PNG
(3-(4-Bromo-phenyl)-2-mercaptomethyl-propionic acid...)
Show SMILES OC(=O)C(CS)Cc1ccc(Br)cc1
Show InChI InChI=1S/C10H11BrO2S/c11-9-3-1-7(2-4-9)5-8(6-14)10(12)13/h1-4,8,14H,5-6H2,(H,12,13)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
150n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against carboxypeptidase A (CPA), expressed as inhibitory constant (Ki)


Bioorg Med Chem Lett 1: 323-326 (1991)


Article DOI: 10.1016/S0960-894X(01)80817-9
BindingDB Entry DOI: 10.7270/Q2QR4X1V
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Bos taurus (bovine))
BDBM50279963
PNG
(3-(4-Chloro-phenyl)-2-mercaptomethyl-propionic aci...)
Show SMILES OC(=O)C(CS)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C10H11ClO2S/c11-9-3-1-7(2-4-9)5-8(6-14)10(12)13/h1-4,8,14H,5-6H2,(H,12,13)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
160n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against carboxypeptidase A (CPA), expressed as inhibitory constant (Ki)


Bioorg Med Chem Lett 1: 323-326 (1991)


Article DOI: 10.1016/S0960-894X(01)80817-9
BindingDB Entry DOI: 10.7270/Q2QR4X1V
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Bos taurus (bovine))
BDBM50279962
PNG
(2-Mercaptomethyl-3-phenyl-pentanoic acid | CHEMBL1...)
Show SMILES CCC(C(CS)C(O)=O)c1ccccc1
Show InChI InChI=1S/C12H16O2S/c1-2-10(11(8-15)12(13)14)9-6-4-3-5-7-9/h3-7,10-11,15H,2,8H2,1H3,(H,13,14)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
1.50E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against carboxypeptidase A (CPA), expressed as inhibitory constant (Ki)


Bioorg Med Chem Lett 1: 323-326 (1991)


Article DOI: 10.1016/S0960-894X(01)80817-9
BindingDB Entry DOI: 10.7270/Q2QR4X1V
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%