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PubMed code 12431056

Compile data set for download or QSAR
Found 9 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))
BDBM50121272
PNG
((2S)-2-[(aminosulfonyl)amino]-3-phenylpropanoic ac...)
Show SMILES NS(=O)(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C9H12N2O4S/c10-16(14,15)11-8(9(12)13)6-7-4-2-1-3-5-7/h1-5,8,11H,6H2,(H,12,13)(H2,10,14,15)/t8-/m0/s1
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Article
PubMed
650n/an/an/an/an/an/an/an/a



Pohang University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against Carboxypeptidase A


J Med Chem 45: 5295-302 (2002)


Article DOI: 10.1021/jm020258v
BindingDB Entry DOI: 10.7270/Q2BR8RJM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carboxypeptidase A1


(Bos taurus (bovine))
BDBM50121270
PNG
((2S)-2-({[(phenylmethyl)amino]sulfonyl}amino)-3-ph...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)NCc1ccccc1
Show InChI InChI=1S/C16H18N2O4S/c19-16(20)15(11-13-7-3-1-4-8-13)18-23(21,22)17-12-14-9-5-2-6-10-14/h1-10,15,17-18H,11-12H2,(H,19,20)/t15-/m0/s1
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PubMed
3.50E+4n/an/an/an/an/an/an/an/a



Pohang University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against Carboxypeptidase A


J Med Chem 45: 5295-302 (2002)


Article DOI: 10.1021/jm020258v
BindingDB Entry DOI: 10.7270/Q2BR8RJM
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Bos taurus (bovine))
BDBM50121275
PNG
((2S)-2-{[(methylamino)sulfonyl]amino}-3-phenylprop...)
Show SMILES CNS(=O)(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C10H14N2O4S/c1-11-17(15,16)12-9(10(13)14)7-8-5-3-2-4-6-8/h2-6,9,11-12H,7H2,1H3,(H,13,14)/t9-/m0/s1
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1.80E+5n/an/an/an/an/an/an/an/a



Pohang University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against Carboxypeptidase A


J Med Chem 45: 5295-302 (2002)


Article DOI: 10.1021/jm020258v
BindingDB Entry DOI: 10.7270/Q2BR8RJM
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Bos taurus (bovine))
BDBM50121276
PNG
((2S)-2-({[(2-phenylethyl)amino]sulfonyl}amino)-3-p...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)NCCc1ccccc1
Show InChI InChI=1S/C17H20N2O4S/c20-17(21)16(13-15-9-5-2-6-10-15)19-24(22,23)18-12-11-14-7-3-1-4-8-14/h1-10,16,18-19H,11-13H2,(H,20,21)/t16-/m0/s1
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1.80E+5n/an/an/an/an/an/an/an/a



Pohang University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against Carboxypeptidase A


J Med Chem 45: 5295-302 (2002)


Article DOI: 10.1021/jm020258v
BindingDB Entry DOI: 10.7270/Q2BR8RJM
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Bos taurus (bovine))
BDBM50121269
PNG
((2R)-2-[(aminosulfonyl)amino]-3-phenylpropanoic ac...)
Show SMILES NS(=O)(=O)N[C@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C9H12N2O4S/c10-16(14,15)11-8(9(12)13)6-7-4-2-1-3-5-7/h1-5,8,11H,6H2,(H,12,13)(H2,10,14,15)/t8-/m1/s1
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PubMed
4.70E+5n/an/an/an/an/an/an/an/a



Pohang University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against Carboxypeptidase A


J Med Chem 45: 5295-302 (2002)


Article DOI: 10.1021/jm020258v
BindingDB Entry DOI: 10.7270/Q2BR8RJM
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Bos taurus (bovine))
BDBM50121273
PNG
((2S)-2-{[(isopropylamino)sulfonyl]amino}-3-phenylp...)
Show SMILES CC(C)NS(=O)(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C12H18N2O4S/c1-9(2)13-19(17,18)14-11(12(15)16)8-10-6-4-3-5-7-10/h3-7,9,11,13-14H,8H2,1-2H3,(H,15,16)/t11-/m0/s1
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6.10E+5n/an/an/an/an/an/an/an/a



Pohang University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against Carboxypeptidase A


J Med Chem 45: 5295-302 (2002)


Article DOI: 10.1021/jm020258v
BindingDB Entry DOI: 10.7270/Q2BR8RJM
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Bos taurus (bovine))
BDBM50121274
PNG
((2R)-2-benzyl-3-{[(methyl-lambda~5~-azanyl)sulfony...)
Show SMILES NS(=O)(=O)NC[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C10H14N2O4S/c11-17(15,16)12-7-9(10(13)14)6-8-4-2-1-3-5-8/h1-5,9,12H,6-7H2,(H,13,14)(H2,11,15,16)/t9-/m1/s1
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1.40E+6n/an/an/an/an/an/an/an/a



Pohang University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against Carboxypeptidase A


J Med Chem 45: 5295-302 (2002)


Article DOI: 10.1021/jm020258v
BindingDB Entry DOI: 10.7270/Q2BR8RJM
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Bos taurus (bovine))
BDBM50121277
PNG
(2-benzyl-3-{[(methyl-lambda~5~-azanyl)sulfonyl]ami...)
Show SMILES NS(=O)(=O)NCC(Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C10H14N2O4S/c11-17(15,16)12-7-9(10(13)14)6-8-4-2-1-3-5-8/h1-5,9,12H,6-7H2,(H,13,14)(H2,11,15,16)
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2.90E+6n/an/an/an/an/an/an/an/a



Pohang University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against Carboxypeptidase A


J Med Chem 45: 5295-302 (2002)


Article DOI: 10.1021/jm020258v
BindingDB Entry DOI: 10.7270/Q2BR8RJM
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Bos taurus (bovine))
BDBM50121271
PNG
((2S)-2-[(aminosulfonyl)(methyl)amino]-3-phenylprop...)
Show SMILES CN([C@@H](Cc1ccccc1)C(O)=O)S(N)(=O)=O
Show InChI InChI=1S/C10H14N2O4S/c1-12(17(11,15)16)9(10(13)14)7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,13,14)(H2,11,15,16)/t9-/m0/s1
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Article
PubMed
3.50E+6n/an/an/an/an/an/an/an/a



Pohang University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against Carboxypeptidase A


J Med Chem 45: 5295-302 (2002)


Article DOI: 10.1021/jm020258v
BindingDB Entry DOI: 10.7270/Q2BR8RJM
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%