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PubMed code 10346925

Compile data set for download or QSAR
Found 40 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
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50077162
PNG
((R)-3-(1H-Indol-3-yl)-2-[4-(4-methoxy-phenylethyny...)
Show SMILES COc1ccc(cc1)C#Cc1ccc(cc1)S(=O)(=O)N[C@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C26H22N2O5S/c1-33-21-12-8-18(9-13-21)6-7-19-10-14-22(15-11-19)34(31,32)28-25(26(29)30)16-20-17-27-24-5-3-2-4-23(20)24/h2-5,8-15,17,25,27-28H,16H2,1H3,(H,29,30)/t25-/m1/s1
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n/an/a 0.650n/an/an/an/an/an/a



Shionogi & Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against Matrix metalloproteinase-2 (concentration required for 50% inhibition of enzyme activity)

J Med Chem 42: 1723-38 (1999)


Article DOI: 10.1021/jm980514x
BindingDB Entry DOI: 10.7270/Q2KP81BQ
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50077157
PNG
((R)-2-[5-(4-Ethyl-phenylethynyl)-thiophene-2-sulfo...)
Show SMILES CCc1ccc(cc1)C#Cc1ccc(s1)S(=O)(=O)N[C@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C25H22N2O4S2/c1-2-17-7-9-18(10-8-17)11-12-20-13-14-24(32-20)33(30,31)27-23(25(28)29)15-19-16-26-22-6-4-3-5-21(19)22/h3-10,13-14,16,23,26-27H,2,15H2,1H3,(H,28,29)/t23-/m1/s1
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n/an/a 1.5n/an/an/an/an/an/a



Shionogi & Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against Matrix metalloproteinase-2 (concentration required for 50% inhibition of enzyme activity)

J Med Chem 42: 1723-38 (1999)


Article DOI: 10.1021/jm980514x
BindingDB Entry DOI: 10.7270/Q2KP81BQ
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50063129
PNG
((R)-3-(1H-Indol-3-yl)-2-(5-p-tolylethynyl-thiophen...)
Show SMILES Cc1ccc(cc1)C#Cc1ccc(s1)S(=O)(=O)N[C@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C24H20N2O4S2/c1-16-6-8-17(9-7-16)10-11-19-12-13-23(31-19)32(29,30)26-22(24(27)28)14-18-15-25-21-5-3-2-4-20(18)21/h2-9,12-13,15,22,25-26H,14H2,1H3,(H,27,28)/t22-/m1/s1
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n/an/a 1.70n/an/an/an/an/an/a



Shionogi & Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against Matrix metalloproteinase-2 (concentration required for 50% inhibition of enzyme activity)

J Med Chem 42: 1723-38 (1999)


Article DOI: 10.1021/jm980514x
BindingDB Entry DOI: 10.7270/Q2KP81BQ
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50077161
PNG
((R)-2-[5-(4-Butoxy-phenylethynyl)-thiophene-2-sulf...)
Show SMILES CCCCOc1ccc(cc1)C#Cc1ccc(s1)S(=O)(=O)N[C@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C27H26N2O5S2/c1-2-3-16-34-21-11-8-19(9-12-21)10-13-22-14-15-26(35-22)36(32,33)29-25(27(30)31)17-20-18-28-24-7-5-4-6-23(20)24/h4-9,11-12,14-15,18,25,28-29H,2-3,16-17H2,1H3,(H,30,31)/t25-/m1/s1
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n/an/a 3.90n/an/an/an/an/an/a



Shionogi & Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against Matrix metalloproteinase-2 (concentration required for 50% inhibition of enzyme activity)

J Med Chem 42: 1723-38 (1999)


Article DOI: 10.1021/jm980514x
BindingDB Entry DOI: 10.7270/Q2KP81BQ
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM50077151
PNG
((R)-2-[5-(4-Ethyl-phenylethynyl)-thiophene-2-sulfo...)
Show SMILES CCc1ccc(cc1)C#Cc1ccc(s1)S(=O)(=O)N[C@H](C(C)C)C(O)=O
Show InChI InChI=1S/C19H21NO4S2/c1-4-14-5-7-15(8-6-14)9-10-16-11-12-17(25-16)26(23,24)20-18(13(2)3)19(21)22/h5-8,11-13,18,20H,4H2,1-3H3,(H,21,22)/t18-/m1/s1
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n/an/a 4.40n/an/an/an/an/an/a



Shionogi & Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against Matrix metalloproteinase-9 (concentration required for 50% inhibition of enzyme activity)

J Med Chem 42: 1723-38 (1999)


Article DOI: 10.1021/jm980514x
BindingDB Entry DOI: 10.7270/Q2KP81BQ
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50077155
PNG
((R)-2-[5-(4-Butyl-phenylethynyl)-thiophene-2-sulfo...)
Show SMILES CCCCc1ccc(cc1)C#Cc1ccc(s1)S(=O)(=O)N[C@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C27H26N2O4S2/c1-2-3-6-19-9-11-20(12-10-19)13-14-22-15-16-26(34-22)35(32,33)29-25(27(30)31)17-21-18-28-24-8-5-4-7-23(21)24/h4-5,7-12,15-16,18,25,28-29H,2-3,6,17H2,1H3,(H,30,31)/t25-/m1/s1
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n/an/a 4.40n/an/an/an/an/an/a



Shionogi & Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against Matrix metalloproteinase-2 (concentration required for 50% inhibition of enzyme activity)

J Med Chem 42: 1723-38 (1999)


Article DOI: 10.1021/jm980514x
BindingDB Entry DOI: 10.7270/Q2KP81BQ
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50077152
PNG
((R)-3-Phenyl-2-([1,1';4',1'']terphenyl-4-sulfonyla...)
Show SMILES OC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C27H23NO4S/c29-27(30)26(19-20-7-3-1-4-8-20)28-33(31,32)25-17-15-24(16-18-25)23-13-11-22(12-14-23)21-9-5-2-6-10-21/h1-18,26,28H,19H2,(H,29,30)/t26-/m1/s1
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n/an/a 4.40n/an/an/an/an/an/a



Shionogi & Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against Matrix metalloproteinase-2 (concentration required for 50% inhibition of enzyme activity)

J Med Chem 42: 1723-38 (1999)


Article DOI: 10.1021/jm980514x
BindingDB Entry DOI: 10.7270/Q2KP81BQ
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50077163
PNG
((R)-2-[5-(4-Butoxy-phenylethynyl)-thiophene-2-sulf...)
Show SMILES CCCCOc1ccc(cc1)C#Cc1ccc(s1)S(=O)(=O)N[C@H](C(C)C)C(O)=O
Show InChI InChI=1S/C21H25NO5S2/c1-4-5-14-27-17-9-6-16(7-10-17)8-11-18-12-13-19(28-18)29(25,26)22-20(15(2)3)21(23)24/h6-7,9-10,12-13,15,20,22H,4-5,14H2,1-3H3,(H,23,24)/t20-/m1/s1
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n/an/a 4.70n/an/an/an/an/an/a



Shionogi & Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against Matrix metalloproteinase-2 (concentration required for 50% inhibition of enzyme activity)

J Med Chem 42: 1723-38 (1999)


Article DOI: 10.1021/jm980514x
BindingDB Entry DOI: 10.7270/Q2KP81BQ
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50077151
PNG
((R)-2-[5-(4-Ethyl-phenylethynyl)-thiophene-2-sulfo...)
Show SMILES CCc1ccc(cc1)C#Cc1ccc(s1)S(=O)(=O)N[C@H](C(C)C)C(O)=O
Show InChI InChI=1S/C19H21NO4S2/c1-4-14-5-7-15(8-6-14)9-10-16-11-12-17(25-16)26(23,24)20-18(13(2)3)19(21)22/h5-8,11-13,18,20H,4H2,1-3H3,(H,21,22)/t18-/m1/s1
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n/an/a 4.80n/an/an/an/an/an/a



Shionogi & Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against Matrix metalloproteinase-2 (concentration required for 50% inhibition of enzyme activity)

J Med Chem 42: 1723-38 (1999)


Article DOI: 10.1021/jm980514x
BindingDB Entry DOI: 10.7270/Q2KP81BQ
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50077158
PNG
((R)-2-[5-(4-Butyl-phenylethynyl)-thiophene-2-sulfo...)
Show SMILES CCCCc1ccc(cc1)C#Cc1ccc(s1)S(=O)(=O)N[C@H](C(C)C)C(O)=O
Show InChI InChI=1S/C21H25NO4S2/c1-4-5-6-16-7-9-17(10-8-16)11-12-18-13-14-19(27-18)28(25,26)22-20(15(2)3)21(23)24/h7-10,13-15,20,22H,4-6H2,1-3H3,(H,23,24)/t20-/m1/s1
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n/an/a 5.40n/an/an/an/an/an/a



Shionogi & Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against Matrix metalloproteinase-2 (concentration required for 50% inhibition of enzyme activity)

J Med Chem 42: 1723-38 (1999)


Article DOI: 10.1021/jm980514x
BindingDB Entry DOI: 10.7270/Q2KP81BQ
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50063164
PNG
((R)-3-Methyl-2-(5-p-tolylethynyl-thiophene-2-sulfo...)
Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(s1)C#Cc1ccc(C)cc1)C(O)=O
Show InChI InChI=1S/C18H19NO4S2/c1-12(2)17(18(20)21)19-25(22,23)16-11-10-15(24-16)9-8-14-6-4-13(3)5-7-14/h4-7,10-12,17,19H,1-3H3,(H,20,21)/t17-/m1/s1
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n/an/a 5.90n/an/an/an/an/an/a



Shionogi & Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against Matrix metalloproteinase-2 (concentration required for 50% inhibition of enzyme activity)

J Med Chem 42: 1723-38 (1999)


Article DOI: 10.1021/jm980514x
BindingDB Entry DOI: 10.7270/Q2KP81BQ
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM50077157
PNG
((R)-2-[5-(4-Ethyl-phenylethynyl)-thiophene-2-sulfo...)
Show SMILES CCc1ccc(cc1)C#Cc1ccc(s1)S(=O)(=O)N[C@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C25H22N2O4S2/c1-2-17-7-9-18(10-8-17)11-12-20-13-14-24(32-20)33(30,31)27-23(25(28)29)15-19-16-26-22-6-4-3-5-21(19)22/h3-10,13-14,16,23,26-27H,2,15H2,1H3,(H,28,29)/t23-/m1/s1
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n/an/a 7.30n/an/an/an/an/an/a



Shionogi & Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against Matrix metalloproteinase-9 (concentration required for 50% inhibition of enzyme activity)

J Med Chem 42: 1723-38 (1999)


Article DOI: 10.1021/jm980514x
BindingDB Entry DOI: 10.7270/Q2KP81BQ
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM50077162
PNG
((R)-3-(1H-Indol-3-yl)-2-[4-(4-methoxy-phenylethyny...)
Show SMILES COc1ccc(cc1)C#Cc1ccc(cc1)S(=O)(=O)N[C@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C26H22N2O5S/c1-33-21-12-8-18(9-13-21)6-7-19-10-14-22(15-11-19)34(31,32)28-25(26(29)30)16-20-17-27-24-5-3-2-4-23(20)24/h2-5,8-15,17,25,27-28H,16H2,1H3,(H,29,30)/t25-/m1/s1
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n/an/a 8.20n/an/an/an/an/an/a



Shionogi & Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against Matrix metalloproteinase-9 (concentration required for 50% inhibition of enzyme activity)

J Med Chem 42: 1723-38 (1999)


Article DOI: 10.1021/jm980514x
BindingDB Entry DOI: 10.7270/Q2KP81BQ
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM50063129
PNG
((R)-3-(1H-Indol-3-yl)-2-(5-p-tolylethynyl-thiophen...)
Show SMILES Cc1ccc(cc1)C#Cc1ccc(s1)S(=O)(=O)N[C@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C24H20N2O4S2/c1-16-6-8-17(9-7-16)10-11-19-12-13-23(31-19)32(29,30)26-22(24(27)28)14-18-15-25-21-5-3-2-4-20(18)21/h2-9,12-13,15,22,25-26H,14H2,1H3,(H,27,28)/t22-/m1/s1
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n/an/a 9.60n/an/an/an/an/an/a



Shionogi & Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against Matrix metalloproteinase-9 (concentration required for 50% inhibition of enzyme activity)

J Med Chem 42: 1723-38 (1999)


Article DOI: 10.1021/jm980514x
BindingDB Entry DOI: 10.7270/Q2KP81BQ
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50077164
PNG
((R)-3-(1H-Indol-3-yl)-2-[5-(4-phenoxy-phenylethyny...)
Show SMILES OC(=O)[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(s1)C#Cc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C29H22N2O5S2/c32-29(33)27(18-21-19-30-26-9-5-4-8-25(21)26)31-38(34,35)28-17-16-24(37-28)15-12-20-10-13-23(14-11-20)36-22-6-2-1-3-7-22/h1-11,13-14,16-17,19,27,30-31H,18H2,(H,32,33)/t27-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Shionogi & Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against Matrix metalloproteinase-2 (concentration required for 50% inhibition of enzyme activity)

J Med Chem 42: 1723-38 (1999)


Article DOI: 10.1021/jm980514x
BindingDB Entry DOI: 10.7270/Q2KP81BQ
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM50077152
PNG
((R)-3-Phenyl-2-([1,1';4',1'']terphenyl-4-sulfonyla...)
Show SMILES OC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C27H23NO4S/c29-27(30)26(19-20-7-3-1-4-8-20)28-33(31,32)25-17-15-24(16-18-25)23-13-11-22(12-14-23)21-9-5-2-6-10-21/h1-18,26,28H,19H2,(H,29,30)/t26-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Shionogi & Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against Matrix metalloproteinase-9 (concentration required for 50% inhibition of enzyme activity)

J Med Chem 42: 1723-38 (1999)


Article DOI: 10.1021/jm980514x
BindingDB Entry DOI: 10.7270/Q2KP81BQ
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50077149
PNG
((R)-3-Methyl-2-[5-(4-phenoxy-phenylethynyl)-thioph...)
Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(s1)C#Cc1ccc(Oc2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C23H21NO5S2/c1-16(2)22(23(25)26)24-31(27,28)21-15-14-20(30-21)13-10-17-8-11-19(12-9-17)29-18-6-4-3-5-7-18/h3-9,11-12,14-16,22,24H,1-2H3,(H,25,26)/t22-/m1/s1
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n/an/a 18n/an/an/an/an/an/a



Shionogi & Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against Matrix metalloproteinase-2 (concentration required for 50% inhibition of enzyme activity)

J Med Chem 42: 1723-38 (1999)


Article DOI: 10.1021/jm980514x
BindingDB Entry DOI: 10.7270/Q2KP81BQ
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50077153
PNG
((R)-3-Phenyl-2-(4-phenylethynyl-benzenesulfonylami...)
Show SMILES OC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(cc1)C#Cc1ccccc1
Show InChI InChI=1S/C23H19NO4S/c25-23(26)22(17-20-9-5-2-6-10-20)24-29(27,28)21-15-13-19(14-16-21)12-11-18-7-3-1-4-8-18/h1-10,13-16,22,24H,17H2,(H,25,26)/t22-/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Shionogi & Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against Matrix metalloproteinase-2 (concentration required for 50% inhibition of enzyme activity)

J Med Chem 42: 1723-38 (1999)


Article DOI: 10.1021/jm980514x
BindingDB Entry DOI: 10.7270/Q2KP81BQ
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM50063164
PNG
((R)-3-Methyl-2-(5-p-tolylethynyl-thiophene-2-sulfo...)
Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(s1)C#Cc1ccc(C)cc1)C(O)=O
Show InChI InChI=1S/C18H19NO4S2/c1-12(2)17(18(20)21)19-25(22,23)16-11-10-15(24-16)9-8-14-6-4-13(3)5-7-14/h4-7,10-12,17,19H,1-3H3,(H,20,21)/t17-/m1/s1
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n/an/a 24n/an/an/an/an/an/a



Shionogi & Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against Matrix metalloproteinase-9 (concentration required for 50% inhibition of enzyme activity)

J Med Chem 42: 1723-38 (1999)


Article DOI: 10.1021/jm980514x
BindingDB Entry DOI: 10.7270/Q2KP81BQ
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50077150
PNG
((R)-3-(1H-Indol-3-yl)-2-[4-(4-methoxy-phenylethyny...)
Show SMILES COc1ccc(cc1)C#Cc1ccc(cc1[N+]([O-])=O)S(=O)(=O)N[C@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C26H21N3O7S/c1-36-20-11-7-17(8-12-20)6-9-18-10-13-21(15-25(18)29(32)33)37(34,35)28-24(26(30)31)14-19-16-27-23-5-3-2-4-22(19)23/h2-5,7-8,10-13,15-16,24,27-28H,14H2,1H3,(H,30,31)/t24-/m1/s1
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n/an/a 33n/an/an/an/an/an/a



Shionogi & Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against Matrix metalloproteinase-2 (concentration required for 50% inhibition of enzyme activity)

J Med Chem 42: 1723-38 (1999)


Article DOI: 10.1021/jm980514x
BindingDB Entry DOI: 10.7270/Q2KP81BQ
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM50063133
PNG
((R)-3-Methyl-2-[4-(2-phenyl-2H-tetrazol-5-yl)-benz...)
Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1nnn(n1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C18H19N5O4S/c1-12(2)16(18(24)25)21-28(26,27)15-10-8-13(9-11-15)17-19-22-23(20-17)14-6-4-3-5-7-14/h3-12,16,21H,1-2H3,(H,24,25)/t16-/m1/s1
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n/an/a 72n/an/an/an/an/an/a



Shionogi & Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against Matrix metalloproteinase-9 (concentration required for 50% inhibition of enzyme activity)

J Med Chem 42: 1723-38 (1999)


Article DOI: 10.1021/jm980514x
BindingDB Entry DOI: 10.7270/Q2KP81BQ
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50077159
PNG
((R)-3-(1H-Indol-3-yl)-2-(5-o-tolylethynyl-thiophen...)
Show SMILES Cc1ccccc1C#Cc1ccc(s1)S(=O)(=O)N[C@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C24H20N2O4S2/c1-16-6-2-3-7-17(16)10-11-19-12-13-23(31-19)32(29,30)26-22(24(27)28)14-18-15-25-21-9-5-4-8-20(18)21/h2-9,12-13,15,22,25-26H,14H2,1H3,(H,27,28)/t22-/m1/s1
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n/an/a 81n/an/an/an/an/an/a



Shionogi & Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against Matrix metalloproteinase-2 (concentration required for 50% inhibition of enzyme activity)

J Med Chem 42: 1723-38 (1999)


Article DOI: 10.1021/jm980514x
BindingDB Entry DOI: 10.7270/Q2KP81BQ
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM50077163
PNG
((R)-2-[5-(4-Butoxy-phenylethynyl)-thiophene-2-sulf...)
Show SMILES CCCCOc1ccc(cc1)C#Cc1ccc(s1)S(=O)(=O)N[C@H](C(C)C)C(O)=O
Show InChI InChI=1S/C21H25NO5S2/c1-4-5-14-27-17-9-6-16(7-10-17)8-11-18-12-13-19(28-18)29(25,26)22-20(15(2)3)21(23)24/h6-7,9-10,12-13,15,20,22H,4-5,14H2,1-3H3,(H,23,24)/t20-/m1/s1
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n/an/a 210n/an/an/an/an/an/a



Shionogi & Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against Matrix metalloproteinase-9 (concentration required for 50% inhibition of enzyme activity)

J Med Chem 42: 1723-38 (1999)


Article DOI: 10.1021/jm980514x
BindingDB Entry DOI: 10.7270/Q2KP81BQ
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM50077158
PNG
((R)-2-[5-(4-Butyl-phenylethynyl)-thiophene-2-sulfo...)
Show SMILES CCCCc1ccc(cc1)C#Cc1ccc(s1)S(=O)(=O)N[C@H](C(C)C)C(O)=O
Show InChI InChI=1S/C21H25NO4S2/c1-4-5-6-16-7-9-17(10-8-16)11-12-18-13-14-19(27-18)28(25,26)22-20(15(2)3)21(23)24/h7-10,13-15,20,22H,4-6H2,1-3H3,(H,23,24)/t20-/m1/s1
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n/an/a 210n/an/an/an/an/an/a



Shionogi & Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against Matrix metalloproteinase-9 (concentration required for 50% inhibition of enzyme activity)

J Med Chem 42: 1723-38 (1999)


Article DOI: 10.1021/jm980514x
BindingDB Entry DOI: 10.7270/Q2KP81BQ
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM50077149
PNG
((R)-3-Methyl-2-[5-(4-phenoxy-phenylethynyl)-thioph...)
Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(s1)C#Cc1ccc(Oc2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C23H21NO5S2/c1-16(2)22(23(25)26)24-31(27,28)21-15-14-20(30-21)13-10-17-8-11-19(12-9-17)29-18-6-4-3-5-7-18/h3-9,11-12,14-16,22,24H,1-2H3,(H,25,26)/t22-/m1/s1
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n/an/a 260n/an/an/an/an/an/a



Shionogi & Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against Matrix metalloproteinase-9 (concentration required for 50% inhibition of enzyme activity)

J Med Chem 42: 1723-38 (1999)


Article DOI: 10.1021/jm980514x
BindingDB Entry DOI: 10.7270/Q2KP81BQ
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM50077153
PNG
((R)-3-Phenyl-2-(4-phenylethynyl-benzenesulfonylami...)
Show SMILES OC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(cc1)C#Cc1ccccc1
Show InChI InChI=1S/C23H19NO4S/c25-23(26)22(17-20-9-5-2-6-10-20)24-29(27,28)21-15-13-19(14-16-21)12-11-18-7-3-1-4-8-18/h1-10,13-16,22,24H,17H2,(H,25,26)/t22-/m1/s1
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n/an/a 340n/an/an/an/an/an/a



Shionogi & Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against Matrix metalloproteinase-9 (concentration required for 50% inhibition of enzyme activity)

J Med Chem 42: 1723-38 (1999)


Article DOI: 10.1021/jm980514x
BindingDB Entry DOI: 10.7270/Q2KP81BQ
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50063157
PNG
((R)-3-(1H-Indol-3-yl)-2-(naphthalene-2-sulfonylami...)
Show SMILES OC(=O)[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C21H18N2O4S/c24-21(25)20(12-16-13-22-19-8-4-3-7-18(16)19)23-28(26,27)17-10-9-14-5-1-2-6-15(14)11-17/h1-11,13,20,22-23H,12H2,(H,24,25)/t20-/m1/s1
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n/an/a 500n/an/an/an/an/an/a



Shionogi & Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against Matrix metalloproteinase-2 (concentration required for 50% inhibition of enzyme activity)

J Med Chem 42: 1723-38 (1999)


Article DOI: 10.1021/jm980514x
BindingDB Entry DOI: 10.7270/Q2KP81BQ
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM50077160
PNG
((R)-3-Methyl-2-{methyl-[4-(2-phenyl-2H-tetrazol-5-...)
Show SMILES CC(C)[C@@H](N(C)S(=O)(=O)c1ccc(cc1)-c1nnn(n1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C19H21N5O4S/c1-13(2)17(19(25)26)23(3)29(27,28)16-11-9-14(10-12-16)18-20-22-24(21-18)15-7-5-4-6-8-15/h4-13,17H,1-3H3,(H,25,26)/t17-/m1/s1
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n/an/a 870n/an/an/an/an/an/a



Shionogi & Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against Matrix metalloproteinase-9 (concentration required for 50% inhibition of enzyme activity)

J Med Chem 42: 1723-38 (1999)


Article DOI: 10.1021/jm980514x
BindingDB Entry DOI: 10.7270/Q2KP81BQ
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM50077159
PNG
((R)-3-(1H-Indol-3-yl)-2-(5-o-tolylethynyl-thiophen...)
Show SMILES Cc1ccccc1C#Cc1ccc(s1)S(=O)(=O)N[C@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C24H20N2O4S2/c1-16-6-2-3-7-17(16)10-11-19-12-13-23(31-19)32(29,30)26-22(24(27)28)14-18-15-25-21-9-5-4-8-20(18)21/h2-9,12-13,15,22,25-26H,14H2,1H3,(H,27,28)/t22-/m1/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



Shionogi & Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against Matrix metalloproteinase-9 (concentration required for 50% inhibition of enzyme activity)

J Med Chem 42: 1723-38 (1999)


Article DOI: 10.1021/jm980514x
BindingDB Entry DOI: 10.7270/Q2KP81BQ
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM50077150
PNG
((R)-3-(1H-Indol-3-yl)-2-[4-(4-methoxy-phenylethyny...)
Show SMILES COc1ccc(cc1)C#Cc1ccc(cc1[N+]([O-])=O)S(=O)(=O)N[C@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C26H21N3O7S/c1-36-20-11-7-17(8-12-20)6-9-18-10-13-21(15-25(18)29(32)33)37(34,35)28-24(26(30)31)14-19-16-27-23-5-3-2-4-22(19)23/h2-5,7-8,10-13,15-16,24,27-28H,14H2,1H3,(H,30,31)/t24-/m1/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



Shionogi & Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against Matrix metalloproteinase-9 (concentration required for 50% inhibition of enzyme activity)

J Med Chem 42: 1723-38 (1999)


Article DOI: 10.1021/jm980514x
BindingDB Entry DOI: 10.7270/Q2KP81BQ
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM50077161
PNG
((R)-2-[5-(4-Butoxy-phenylethynyl)-thiophene-2-sulf...)
Show SMILES CCCCOc1ccc(cc1)C#Cc1ccc(s1)S(=O)(=O)N[C@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C27H26N2O5S2/c1-2-3-16-34-21-11-8-19(9-12-21)10-13-22-14-15-26(35-22)36(32,33)29-25(27(30)31)17-20-18-28-24-7-5-4-6-23(20)24/h4-9,11-12,14-15,18,25,28-29H,2-3,16-17H2,1H3,(H,30,31)/t25-/m1/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Shionogi & Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against Matrix metalloproteinase-9 (concentration required for 50% inhibition of enzyme activity)

J Med Chem 42: 1723-38 (1999)


Article DOI: 10.1021/jm980514x
BindingDB Entry DOI: 10.7270/Q2KP81BQ
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM50077164
PNG
((R)-3-(1H-Indol-3-yl)-2-[5-(4-phenoxy-phenylethyny...)
Show SMILES OC(=O)[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(s1)C#Cc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C29H22N2O5S2/c32-29(33)27(18-21-19-30-26-9-5-4-8-25(21)26)31-38(34,35)28-17-16-24(37-28)15-12-20-10-13-23(14-11-20)36-22-6-2-1-3-7-22/h1-11,13-14,16-17,19,27,30-31H,18H2,(H,32,33)/t27-/m1/s1
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n/an/a 2.30E+3n/an/an/an/an/an/a



Shionogi & Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against Matrix metalloproteinase-9 (concentration required for 50% inhibition of enzyme activity)

J Med Chem 42: 1723-38 (1999)


Article DOI: 10.1021/jm980514x
BindingDB Entry DOI: 10.7270/Q2KP81BQ
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM50077155
PNG
((R)-2-[5-(4-Butyl-phenylethynyl)-thiophene-2-sulfo...)
Show SMILES CCCCc1ccc(cc1)C#Cc1ccc(s1)S(=O)(=O)N[C@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C27H26N2O4S2/c1-2-3-6-19-9-11-20(12-10-19)13-14-22-15-16-26(34-22)35(32,33)29-25(27(30)31)17-21-18-28-24-8-5-4-7-23(21)24/h4-5,7-12,15-16,18,25,28-29H,2-3,6,17H2,1H3,(H,30,31)/t25-/m1/s1
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n/an/a 2.70E+3n/an/an/an/an/an/a



Shionogi & Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against Matrix metalloproteinase-9 (concentration required for 50% inhibition of enzyme activity)

J Med Chem 42: 1723-38 (1999)


Article DOI: 10.1021/jm980514x
BindingDB Entry DOI: 10.7270/Q2KP81BQ
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM24036
PNG
((2R)-3-phenyl-2-[(4-phenylbenzene)sulfonamido]prop...)
Show SMILES OC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C21H19NO4S/c23-21(24)20(15-16-7-3-1-4-8-16)22-27(25,26)19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1-14,20,22H,15H2,(H,23,24)/t20-/m1/s1
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n/an/a 2.70E+3n/an/an/an/an/an/a



Shionogi & Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against Matrix metalloproteinase-9 (concentration required for 50% inhibition of enzyme activity)

J Med Chem 42: 1723-38 (1999)


Article DOI: 10.1021/jm980514x
BindingDB Entry DOI: 10.7270/Q2KP81BQ
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50077156
PNG
((R)-2-(4-Bromo-benzenesulfonylamino)-3-phenyl-prop...)
Show SMILES OC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C15H14BrNO4S/c16-12-6-8-13(9-7-12)22(20,21)17-14(15(18)19)10-11-4-2-1-3-5-11/h1-9,14,17H,10H2,(H,18,19)/t14-/m1/s1
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n/an/a 7.10E+3n/an/an/an/an/an/a



Shionogi & Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against Matrix metalloproteinase-2 (concentration required for 50% inhibition of enzyme activity)

J Med Chem 42: 1723-38 (1999)


Article DOI: 10.1021/jm980514x
BindingDB Entry DOI: 10.7270/Q2KP81BQ
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM50077154
PNG
((R)-3-(1H-Indol-3-yl)-2-(naphthalene-1-sulfonylami...)
Show SMILES OC(=O)[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C21H18N2O4S/c24-21(25)19(12-15-13-22-18-10-4-3-8-16(15)18)23-28(26,27)20-11-5-7-14-6-1-2-9-17(14)20/h1-11,13,19,22-23H,12H2,(H,24,25)/t19-/m1/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



Shionogi & Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against Matrix metalloproteinase-9 (concentration required for 50% inhibition of enzyme activity)

J Med Chem 42: 1723-38 (1999)


Article DOI: 10.1021/jm980514x
BindingDB Entry DOI: 10.7270/Q2KP81BQ
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM50077156
PNG
((R)-2-(4-Bromo-benzenesulfonylamino)-3-phenyl-prop...)
Show SMILES OC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C15H14BrNO4S/c16-12-6-8-13(9-7-12)22(20,21)17-14(15(18)19)10-11-4-2-1-3-5-11/h1-9,14,17H,10H2,(H,18,19)/t14-/m1/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



Shionogi & Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against Matrix metalloproteinase-9 (concentration required for 50% inhibition of enzyme activity)

J Med Chem 42: 1723-38 (1999)


Article DOI: 10.1021/jm980514x
BindingDB Entry DOI: 10.7270/Q2KP81BQ
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM50063131
PNG
((R)-2-[(Biphenyl-4-carbonyl)-amino]-3-phenyl-propi...)
Show SMILES OC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C22H19NO3/c24-21(23-20(22(25)26)15-16-7-3-1-4-8-16)19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1-14,20H,15H2,(H,23,24)(H,25,26)/t20-/m1/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



Shionogi & Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against Matrix metalloproteinase-9 (concentration required for 50% inhibition of enzyme activity)

J Med Chem 42: 1723-38 (1999)


Article DOI: 10.1021/jm980514x
BindingDB Entry DOI: 10.7270/Q2KP81BQ
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM50063157
PNG
((R)-3-(1H-Indol-3-yl)-2-(naphthalene-2-sulfonylami...)
Show SMILES OC(=O)[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C21H18N2O4S/c24-21(25)20(12-16-13-22-19-8-4-3-7-18(16)19)23-28(26,27)17-10-9-14-5-1-2-6-15(14)11-17/h1-11,13,20,22-23H,12H2,(H,24,25)/t20-/m1/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



Shionogi & Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against Matrix metalloproteinase-9 (concentration required for 50% inhibition of enzyme activity)

J Med Chem 42: 1723-38 (1999)


Article DOI: 10.1021/jm980514x
BindingDB Entry DOI: 10.7270/Q2KP81BQ
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50077154
PNG
((R)-3-(1H-Indol-3-yl)-2-(naphthalene-1-sulfonylami...)
Show SMILES OC(=O)[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C21H18N2O4S/c24-21(25)19(12-15-13-22-18-10-4-3-8-16(15)18)23-28(26,27)20-11-5-7-14-6-1-2-9-17(14)20/h1-11,13,19,22-23H,12H2,(H,24,25)/t19-/m1/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



Shionogi & Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against Matrix metalloproteinase-2 (concentration required for 50% inhibition of enzyme activity)

J Med Chem 42: 1723-38 (1999)


Article DOI: 10.1021/jm980514x
BindingDB Entry DOI: 10.7270/Q2KP81BQ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%