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PubMed code 15449728

Compile data set for download or QSAR
Found 11 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
Chymase


(Homo sapiens (human))
BDBM85670
PNG
(Tetrahydroisoquinoline hydantoin derivative, 5d)
Show SMILES Oc1c2Cc3ccccc3Cn2c(=O)n1S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C21H16N2O4S/c24-20-19-12-16-7-3-4-8-17(16)13-22(19)21(25)23(20)28(26,27)18-10-9-14-5-1-2-6-15(14)11-18/h1-11,24H,12-13H2
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Article
PubMed
n/an/a 1.75E+4n/an/an/an/an/an/a



Université de Tours



Assay Description
Enzyme inhibitory activity using recombinant human chymase.


J Enzyme Inhib Med Chem 19: 137-43 (2004)


Article DOI: 10.1080/14756360310001650200
BindingDB Entry DOI: 10.7270/Q2VM49TK
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM85669
PNG
(Tetrahydroisoquinoline hydantoin derivative, 5b)
Show SMILES Cc1ccc(cc1C)S(=O)(=O)n1c(O)c2Cc3ccccc3Cn2c1=O
Show InChI InChI=1S/C19H18N2O4S/c1-12-7-8-16(9-13(12)2)26(24,25)21-18(22)17-10-14-5-3-4-6-15(14)11-20(17)19(21)23/h3-9,22H,10-11H2,1-2H3
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PubMed
n/an/a 4.28E+4n/an/an/an/an/an/a



Université de Tours



Assay Description
Enzyme inhibitory activity using recombinant human chymase.


J Enzyme Inhib Med Chem 19: 137-43 (2004)


Article DOI: 10.1080/14756360310001650200
BindingDB Entry DOI: 10.7270/Q2VM49TK
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM77842
PNG
(Tetrahydroisoquinoline hydantoin derivative, 5a)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1C(=O)[C@@H]2Cc3ccccc3CN2C1=O
Show InChI InChI=1S/C18H16N2O4S/c1-12-6-8-15(9-7-12)25(23,24)20-17(21)16-10-13-4-2-3-5-14(13)11-19(16)18(20)22/h2-9,16H,10-11H2,1H3/t16-/m0/s1
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n/an/a 4.90E+4n/an/an/an/an/an/a



Université de Tours



Assay Description
Enzyme inhibitory activity using recombinant human chymase.


J Enzyme Inhib Med Chem 19: 137-43 (2004)


Article DOI: 10.1080/14756360310001650200
BindingDB Entry DOI: 10.7270/Q2VM49TK
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM85664
PNG
(Tetrahydroisoquinoline hydantoin derivative, 3d)
Show SMILES Oc1c2Cc3ccccc3-n2c(=O)n1S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C20H14N2O4S/c23-19-18-12-15-7-3-4-8-17(15)21(18)20(24)22(19)27(25,26)16-10-9-13-5-1-2-6-14(13)11-16/h1-11,23H,12H2
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n/an/a 8.68E+4n/an/an/an/an/an/a



Université de Tours



Assay Description
Enzyme inhibitory activity using recombinant human chymase.


J Enzyme Inhib Med Chem 19: 137-43 (2004)


Article DOI: 10.1080/14756360310001650200
BindingDB Entry DOI: 10.7270/Q2VM49TK
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM85668
PNG
(Tetrahydroisoquinoline hydantoin derivative, 4d)
Show SMILES O=C1N(C(=O)n2c1cc1ccccc21)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C20H12N2O4S/c23-19-18-12-15-7-3-4-8-17(15)21(18)20(24)22(19)27(25,26)16-10-9-13-5-1-2-6-14(13)11-16/h1-12H
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PubMed
n/an/a 1.23E+5n/an/an/an/an/an/a



Université de Tours



Assay Description
Enzyme inhibitory activity using recombinant human chymase.


J Enzyme Inhib Med Chem 19: 137-43 (2004)


Article DOI: 10.1080/14756360310001650200
BindingDB Entry DOI: 10.7270/Q2VM49TK
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM85661
PNG
(Tetrahydroisoquinoline hydantoin derivative, 3a)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1c(O)c2Cc3ccccc3-n2c1=O
Show InChI InChI=1S/C17H14N2O4S/c1-11-6-8-13(9-7-11)24(22,23)19-16(20)15-10-12-4-2-3-5-14(12)18(15)17(19)21/h2-9,20H,10H2,1H3
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n/an/a 1.72E+5n/an/an/an/an/an/a



Université de Tours



Assay Description
Enzyme inhibitory activity using recombinant human chymase.


J Enzyme Inhib Med Chem 19: 137-43 (2004)


Article DOI: 10.1080/14756360310001650200
BindingDB Entry DOI: 10.7270/Q2VM49TK
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM85662
PNG
(Tetrahydroisoquinoline hydantoin derivative, 3b)
Show SMILES Cc1ccc(cc1C)S(=O)(=O)n1c(O)c2Cc3ccccc3-n2c1=O
Show InChI InChI=1S/C18H16N2O4S/c1-11-7-8-14(9-12(11)2)25(23,24)20-17(21)16-10-13-5-3-4-6-15(13)19(16)18(20)22/h3-9,21H,10H2,1-2H3
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n/an/a 2.06E+5n/an/an/an/an/an/a



Université de Tours



Assay Description
Enzyme inhibitory activity using recombinant human chymase.


J Enzyme Inhib Med Chem 19: 137-43 (2004)


Article DOI: 10.1080/14756360310001650200
BindingDB Entry DOI: 10.7270/Q2VM49TK
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM85667
PNG
(Tetrahydroisoquinoline hydantoin derivative, 4c)
Show SMILES Clc1ccc(cc1Cl)S(=O)(=O)N1C(=O)c2cc3ccccc3n2C1=O
Show InChI InChI=1S/C16H8Cl2N2O4S/c17-11-6-5-10(8-12(11)18)25(23,24)20-15(21)14-7-9-3-1-2-4-13(9)19(14)16(20)22/h1-8H
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n/an/a 3.08E+5n/an/an/an/an/an/a



Université de Tours



Assay Description
Enzyme inhibitory activity using recombinant human chymase.


J Enzyme Inhib Med Chem 19: 137-43 (2004)


Article DOI: 10.1080/14756360310001650200
BindingDB Entry DOI: 10.7270/Q2VM49TK
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM85663
PNG
(Tetrahydroisoquinoline hydantoin derivative, 3c)
Show SMILES Oc1c2Cc3ccccc3-n2c(=O)n1S(=O)(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H10Cl2N2O4S/c17-11-6-5-10(8-12(11)18)25(23,24)20-15(21)14-7-9-3-1-2-4-13(9)19(14)16(20)22/h1-6,8,21H,7H2
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n/an/a 3.74E+5n/an/an/an/an/an/a



Université de Tours



Assay Description
Enzyme inhibitory activity using recombinant human chymase.


J Enzyme Inhib Med Chem 19: 137-43 (2004)


Article DOI: 10.1080/14756360310001650200
BindingDB Entry DOI: 10.7270/Q2VM49TK
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM85666
PNG
(Tetrahydroisoquinoline hydantoin derivative, 4b)
Show SMILES Cc1ccc(cc1C)S(=O)(=O)N1C(=O)c2cc3ccccc3n2C1=O
Show InChI InChI=1S/C18H14N2O4S/c1-11-7-8-14(9-12(11)2)25(23,24)20-17(21)16-10-13-5-3-4-6-15(13)19(16)18(20)22/h3-10H,1-2H3
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n/an/a>1.00E+6n/an/an/an/an/an/a



Université de Tours



Assay Description
Enzyme inhibitory activity using recombinant human chymase.


J Enzyme Inhib Med Chem 19: 137-43 (2004)


Article DOI: 10.1080/14756360310001650200
BindingDB Entry DOI: 10.7270/Q2VM49TK
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM85665
PNG
(Tetrahydroisoquinoline hydantoin derivative, 4a)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1C(=O)c2cc3ccccc3n2C1=O
Show InChI InChI=1S/C17H12N2O4S/c1-11-6-8-13(9-7-11)24(22,23)19-16(20)15-10-12-4-2-3-5-14(12)18(15)17(19)21/h2-10H,1H3
PDB
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n/an/a>1.00E+6n/an/an/an/an/an/a



Université de Tours



Assay Description
Enzyme inhibitory activity using recombinant human chymase.


J Enzyme Inhib Med Chem 19: 137-43 (2004)


Article DOI: 10.1080/14756360310001650200
BindingDB Entry DOI: 10.7270/Q2VM49TK
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%