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PubMed code 11020282

Compile Data Set for Download or QSAR

Found 512 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
Neutrophil collagenase


(Homo sapiens (Human))		BDBM11354
PNG
(Hydroxamate 35 | N-Pentafluorophenylsulfonyl-N-4-n...)
Show SMILES ONC(=O)CN(Cc1ccc(cc1)N(=O)=O)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F
Show InChI InChI=1S/C15H10F5N3O6S/c16-10-11(17)13(19)15(14(20)12(10)18)30(28,29)22(6-9(24)21-25)5-7-1-3-8(4-2-7)23(26)27/h1-4,25H,5-6H2,(H,21,24)
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 0.100n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
Initial rates for the hydrolysis of the thioester substrate AcProLeuGly-S-LeuLeuGlyOEt, coupled to the reaction with 5,5-dithiobis(2-nitrobenzoic aci...

J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))		BDBM11360
PNG
(Hydroxamate 41 | N-hydroxy-2-{[(4-nitrophenyl)meth...)
Show SMILES CC(N(Cc1ccc(cc1)N(=O)=O)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)NO
Show InChI InChI=1S/C16H12F5N3O6S/c1-7(16(25)22-26)23(6-8-2-4-9(5-3-8)24(27)28)31(29,30)15-13(20)11(18)10(17)12(19)14(15)21/h2-5,7,26H,6H2,1H3,(H,22,25)
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 0.300n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
Initial rates for the hydrolysis of the thioester substrate AcProLeuGly-S-LeuLeuGlyOEt, coupled to the reaction with 5,5-dithiobis(2-nitrobenzoic aci...

J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))		BDBM11348
PNG
(2-[benzyl(2,3,4,5,6-pentafluorobenzene)sulfonamido...)
Show SMILES CC(C)CC(N(Cc1ccccc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)NO
Show InChI InChI=1S/C19H19F5N2O4S/c1-10(2)8-12(19(27)25-28)26(9-11-6-4-3-5-7-11)31(29,30)18-16(23)14(21)13(20)15(22)17(18)24/h3-7,10,12,28H,8-9H2,1-2H3,(H,25,27)
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 0.600n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
Initial rates for the hydrolysis of the thioester substrate AcProLeuGly-S-LeuLeuGlyOEt, coupled to the reaction with 5,5-dithiobis(2-nitrobenzoic aci...

J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM11360
PNG
(Hydroxamate 41 | N-hydroxy-2-{[(4-nitrophenyl)meth...)
Show SMILES CC(N(Cc1ccc(cc1)N(=O)=O)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)NO
Show InChI InChI=1S/C16H12F5N3O6S/c1-7(16(25)22-26)23(6-8-2-4-9(5-3-8)24(27)28)31(29,30)15-13(20)11(18)10(17)12(19)14(15)21/h2-5,7,26H,6H2,1H3,(H,22,25)
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 0.600n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
Initial rates for the hydrolysis of the thioester substrate AcProLeuGly-S-LeuLeuGlyOEt, coupled to the reaction with 5,5-dithiobis(2-nitrobenzoic aci...

J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM11354
PNG
(Hydroxamate 35 | N-Pentafluorophenylsulfonyl-N-4-n...)
Show SMILES ONC(=O)CN(Cc1ccc(cc1)N(=O)=O)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F
Show InChI InChI=1S/C15H10F5N3O6S/c16-10-11(17)13(19)15(14(20)12(10)18)30(28,29)22(6-9(24)21-25)5-7-1-3-8(4-2-7)23(26)27/h1-4,25H,5-6H2,(H,21,24)
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 0.600n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
Initial rates for the hydrolysis of the thioester substrate AcProLeuGly-S-LeuLeuGlyOEt, coupled to the reaction with 5,5-dithiobis(2-nitrobenzoic aci...

J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM11360
PNG
(Hydroxamate 41 | N-hydroxy-2-{[(4-nitrophenyl)meth...)
Show SMILES CC(N(Cc1ccc(cc1)N(=O)=O)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)NO
Show InChI InChI=1S/C16H12F5N3O6S/c1-7(16(25)22-26)23(6-8-2-4-9(5-3-8)24(27)28)31(29,30)15-13(20)11(18)10(17)12(19)14(15)21/h2-5,7,26H,6H2,1H3,(H,22,25)
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 0.700n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
Initial rates for the hydrolysis of the thioester substrate AcProLeuGly-S-LeuLeuGlyOEt, coupled to the reaction with 5,5-dithiobis(2-nitrobenzoic aci...

J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM11354
PNG
(Hydroxamate 35 | N-Pentafluorophenylsulfonyl-N-4-n...)
Show SMILES ONC(=O)CN(Cc1ccc(cc1)N(=O)=O)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F
Show InChI InChI=1S/C15H10F5N3O6S/c16-10-11(17)13(19)15(14(20)12(10)18)30(28,29)22(6-9(24)21-25)5-7-1-3-8(4-2-7)23(26)27/h1-4,25H,5-6H2,(H,21,24)
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 0.700n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
Initial rates for the hydrolysis of the thioester substrate AcProLeuGly-S-LeuLeuGlyOEt, coupled to the reaction with 5,5-dithiobis(2-nitrobenzoic aci...

J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM11387
PNG
(2,3,4,5,6-pentafluoro-N-hydroxybenzene-1-sulfonami...)
Show SMILES ONS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F
Show InChI InChI=1S/C6H2F5NO3S/c7-1-2(8)4(10)6(5(11)3(1)9)16(14,15)12-13/h12-13H
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 0.800n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...

J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM11357
PNG
(Hydroxamate 38 | N-hydroxy-2-{[(2-nitrophenyl)meth...)
Show SMILES CC(N(Cc1ccccc1N(=O)=O)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)NO
Show InChI InChI=1S/C16H12F5N3O6S/c1-7(16(25)22-26)23(6-8-4-2-3-5-9(8)24(27)28)31(29,30)15-13(20)11(18)10(17)12(19)14(15)21/h2-5,7,26H,6H2,1H3,(H,22,25)
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 0.800n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
Initial rates for the hydrolysis of the thioester substrate AcProLeuGly-S-LeuLeuGlyOEt, coupled to the reaction with 5,5-dithiobis(2-nitrobenzoic aci...

J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM11341
PNG
(2-[benzyl(2,3,4,5,6-pentafluorobenzene)sulfonamido...)
Show SMILES CC(C)C(N(Cc1ccccc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)NO
Show InChI InChI=1S/C18H17F5N2O4S/c1-9(2)16(18(26)24-27)25(8-10-6-4-3-5-7-10)30(28,29)17-14(22)12(20)11(19)13(21)15(17)23/h3-7,9,16,27H,8H2,1-2H3,(H,24,26)
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 0.800n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
Initial rates for the hydrolysis of the thioester substrate AcProLeuGly-S-LeuLeuGlyOEt, coupled to the reaction with 5,5-dithiobis(2-nitrobenzoic aci...

J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM11348
PNG
(2-[benzyl(2,3,4,5,6-pentafluorobenzene)sulfonamido...)
Show SMILES CC(C)CC(N(Cc1ccccc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)NO
Show InChI InChI=1S/C19H19F5N2O4S/c1-10(2)8-12(19(27)25-28)26(9-11-6-4-3-5-7-11)31(29,30)18-16(23)14(21)13(20)15(22)17(18)24/h3-7,10,12,28H,8-9H2,1-2H3,(H,25,27)
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Universita degli Studi



Assay Description
Initial rates for the hydrolysis of the thioester substrate AcProLeuGly-S-LeuLeuGlyOEt, coupled to the reaction with 5,5-dithiobis(2-nitrobenzoic aci...

J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM11389
PNG
(2-(hydroxysulfamoyl)benzoic acid | Hydroxysulfonam...)
Show SMILES ONS(=O)(=O)c1ccccc1C(O)=O
Show InChI InChI=1S/C7H7NO5S/c9-7(10)5-3-1-2-4-6(5)14(12,13)8-11/h1-4,8,11H,(H,9,10)
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 0.900n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...

J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM11336
PNG
(2-[benzyl(2,3,4,5,6-pentafluorobenzene)sulfonamido...)
Show SMILES CC(N(Cc1ccccc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)NO
Show InChI InChI=1S/C16H13F5N2O4S/c1-8(16(24)22-25)23(7-9-5-3-2-4-6-9)28(26,27)15-13(20)11(18)10(17)12(19)14(15)21/h2-6,8,25H,7H2,1H3,(H,22,24)
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Universita degli Studi



Assay Description
Initial rates for the hydrolysis of the thioester substrate AcProLeuGly-S-LeuLeuGlyOEt, coupled to the reaction with 5,5-dithiobis(2-nitrobenzoic aci...

J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM11357
PNG
(Hydroxamate 38 | N-hydroxy-2-{[(2-nitrophenyl)meth...)
Show SMILES CC(N(Cc1ccccc1N(=O)=O)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)NO
Show InChI InChI=1S/C16H12F5N3O6S/c1-7(16(25)22-26)23(6-8-4-2-3-5-9(8)24(27)28)31(29,30)15-13(20)11(18)10(17)12(19)14(15)21/h2-5,7,26H,6H2,1H3,(H,22,25)
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 1n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
Initial rates for the hydrolysis of the thioester substrate AcProLeuGly-S-LeuLeuGlyOEt, coupled to the reaction with 5,5-dithiobis(2-nitrobenzoic aci...

J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))		BDBM11351
PNG
(Hydroxamate 32 | N-hydroxy-2-{[(2-nitrophenyl)meth...)
Show SMILES ONC(=O)CN(Cc1ccccc1N(=O)=O)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F
Show InChI InChI=1S/C15H10F5N3O6S/c16-10-11(17)13(19)15(14(20)12(10)18)30(28,29)22(6-9(24)21-25)5-7-3-1-2-4-8(7)23(26)27/h1-4,25H,5-6H2,(H,21,24)
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Universita degli Studi



Assay Description
Initial rates for the hydrolysis of the thioester substrate AcProLeuGly-S-LeuLeuGlyOEt, coupled to the reaction with 5,5-dithiobis(2-nitrobenzoic aci...

J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))		BDBM11341
PNG
(2-[benzyl(2,3,4,5,6-pentafluorobenzene)sulfonamido...)
Show SMILES CC(C)C(N(Cc1ccccc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)NO
Show InChI InChI=1S/C18H17F5N2O4S/c1-9(2)16(18(26)24-27)25(8-10-6-4-3-5-7-10)30(28,29)17-14(22)12(20)11(19)13(21)15(17)23/h3-7,9,16,27H,8H2,1-2H3,(H,24,26)
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Universita degli Studi



Assay Description
Initial rates for the hydrolysis of the thioester substrate AcProLeuGly-S-LeuLeuGlyOEt, coupled to the reaction with 5,5-dithiobis(2-nitrobenzoic aci...

J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM11388
PNG
(Hydroxysulfonamide 69 | N-hydroxy-3-(trifluorometh...)
Show SMILES ONS(=O)(=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C7H6F3NO3S/c8-7(9,10)5-2-1-3-6(4-5)15(13,14)11-12/h1-4,11-12H
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Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...

J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))		BDBM11330
PNG
(2-[benzyl(2,3,4,5,6-pentafluorobenzene)sulfonamido...)
Show SMILES ONC(=O)CN(Cc1ccccc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F
Show InChI InChI=1S/C15H11F5N2O4S/c16-10-11(17)13(19)15(14(20)12(10)18)27(25,26)22(7-9(23)21-24)6-8-4-2-1-3-5-8/h1-5,24H,6-7H2,(H,21,23)
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Universita degli Studi



Assay Description
Initial rates for the hydrolysis of the thioester substrate AcProLeuGly-S-LeuLeuGlyOEt, coupled to the reaction with 5,5-dithiobis(2-nitrobenzoic aci...

J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))		BDBM11336
PNG
(2-[benzyl(2,3,4,5,6-pentafluorobenzene)sulfonamido...)
Show SMILES CC(N(Cc1ccccc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)NO
Show InChI InChI=1S/C16H13F5N2O4S/c1-8(16(24)22-25)23(7-9-5-3-2-4-6-9)28(26,27)15-13(20)11(18)10(17)12(19)14(15)21/h2-6,8,25H,7H2,1H3,(H,22,24)
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Assay Description
Initial rates for the hydrolysis of the thioester substrate AcProLeuGly-S-LeuLeuGlyOEt, coupled to the reaction with 5,5-dithiobis(2-nitrobenzoic aci...

J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM11348
PNG
(2-[benzyl(2,3,4,5,6-pentafluorobenzene)sulfonamido...)
Show SMILES CC(C)CC(N(Cc1ccccc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)NO
Show InChI InChI=1S/C19H19F5N2O4S/c1-10(2)8-12(19(27)25-28)26(9-11-6-4-3-5-7-11)31(29,30)18-16(23)14(21)13(20)15(22)17(18)24/h3-7,10,12,28H,8-9H2,1-2H3,(H,25,27)
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Assay Description
Initial rates for the hydrolysis of the thioester substrate AcProLeuGly-S-LeuLeuGlyOEt, coupled to the reaction with 5,5-dithiobis(2-nitrobenzoic aci...

J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))		BDBM11357
PNG
(Hydroxamate 38 | N-hydroxy-2-{[(2-nitrophenyl)meth...)
Show SMILES CC(N(Cc1ccccc1N(=O)=O)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)NO
Show InChI InChI=1S/C16H12F5N3O6S/c1-7(16(25)22-26)23(6-8-4-2-3-5-9(8)24(27)28)31(29,30)15-13(20)11(18)10(17)12(19)14(15)21/h2-5,7,26H,6H2,1H3,(H,22,25)
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Assay Description
Initial rates for the hydrolysis of the thioester substrate AcProLeuGly-S-LeuLeuGlyOEt, coupled to the reaction with 5,5-dithiobis(2-nitrobenzoic aci...

J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM11330
PNG
(2-[benzyl(2,3,4,5,6-pentafluorobenzene)sulfonamido...)
Show SMILES ONC(=O)CN(Cc1ccccc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F
Show InChI InChI=1S/C15H11F5N2O4S/c16-10-11(17)13(19)15(14(20)12(10)18)27(25,26)22(7-9(23)21-24)6-8-4-2-1-3-5-8/h1-5,24H,6-7H2,(H,21,23)
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Assay Description
Initial rates for the hydrolysis of the thioester substrate AcProLeuGly-S-LeuLeuGlyOEt, coupled to the reaction with 5,5-dithiobis(2-nitrobenzoic aci...

J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM11341
PNG
(2-[benzyl(2,3,4,5,6-pentafluorobenzene)sulfonamido...)
Show SMILES CC(C)C(N(Cc1ccccc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)NO
Show InChI InChI=1S/C18H17F5N2O4S/c1-9(2)16(18(26)24-27)25(8-10-6-4-3-5-7-10)30(28,29)17-14(22)12(20)11(19)13(21)15(17)23/h3-7,9,16,27H,8H2,1-2H3,(H,24,26)
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Assay Description
Initial rates for the hydrolysis of the thioester substrate AcProLeuGly-S-LeuLeuGlyOEt, coupled to the reaction with 5,5-dithiobis(2-nitrobenzoic aci...

J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM11349
PNG
(2-[benzyl(4-methoxybenzene)sulfonamido]-N-hydroxy-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)C(CC(C)C)C(=O)NO
Show InChI InChI=1S/C20H26N2O5S/c1-15(2)13-19(20(23)21-24)22(14-16-7-5-4-6-8-16)28(25,26)18-11-9-17(27-3)10-12-18/h4-12,15,19,24H,13-14H2,1-3H3,(H,21,23)
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Assay Description
Initial rates for the hydrolysis of the thioester substrate AcProLeuGly-S-LeuLeuGlyOEt, coupled to the reaction with 5,5-dithiobis(2-nitrobenzoic aci...

J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM11351
PNG
(Hydroxamate 32 | N-hydroxy-2-{[(2-nitrophenyl)meth...)
Show SMILES ONC(=O)CN(Cc1ccccc1N(=O)=O)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F
Show InChI InChI=1S/C15H10F5N3O6S/c16-10-11(17)13(19)15(14(20)12(10)18)30(28,29)22(6-9(24)21-25)5-7-3-1-2-4-8(7)23(26)27/h1-4,25H,5-6H2,(H,21,24)
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Assay Description
Initial rates for the hydrolysis of the thioester substrate AcProLeuGly-S-LeuLeuGlyOEt, coupled to the reaction with 5,5-dithiobis(2-nitrobenzoic aci...

J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))		BDBM11363
PNG
(2-{[(2-chlorophenyl)methyl](2,3,4,5,6-pentafluorob...)
Show SMILES CC(N(Cc1ccccc1Cl)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)NO
Show InChI InChI=1S/C16H12ClF5N2O4S/c1-7(16(25)23-26)24(6-8-4-2-3-5-9(8)17)29(27,28)15-13(21)11(19)10(18)12(20)14(15)22/h2-5,7,26H,6H2,1H3,(H,23,25)
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Assay Description
Initial rates for the hydrolysis of the thioester substrate AcProLeuGly-S-LeuLeuGlyOEt, coupled to the reaction with 5,5-dithiobis(2-nitrobenzoic aci...

J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM11336
PNG
(2-[benzyl(2,3,4,5,6-pentafluorobenzene)sulfonamido...)
Show SMILES CC(N(Cc1ccccc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)NO
Show InChI InChI=1S/C16H13F5N2O4S/c1-8(16(24)22-25)23(7-9-5-3-2-4-6-9)28(26,27)15-13(20)11(18)10(17)12(19)14(15)21/h2-6,8,25H,7H2,1H3,(H,22,24)
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Assay Description
Initial rates for the hydrolysis of the thioester substrate AcProLeuGly-S-LeuLeuGlyOEt, coupled to the reaction with 5,5-dithiobis(2-nitrobenzoic aci...

J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM11351
PNG
(Hydroxamate 32 | N-hydroxy-2-{[(2-nitrophenyl)meth...)
Show SMILES ONC(=O)CN(Cc1ccccc1N(=O)=O)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F
Show InChI InChI=1S/C15H10F5N3O6S/c16-10-11(17)13(19)15(14(20)12(10)18)30(28,29)22(6-9(24)21-25)5-7-3-1-2-4-8(7)23(26)27/h1-4,25H,5-6H2,(H,21,24)
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Assay Description
Initial rates for the hydrolysis of the thioester substrate AcProLeuGly-S-LeuLeuGlyOEt, coupled to the reaction with 5,5-dithiobis(2-nitrobenzoic aci...

J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM11359
PNG
(Hydroxamate 40 | N-hydroxy-2-{[(4-nitrophenyl)meth...)
Show SMILES CC(N(Cc1ccc(cc1)N(=O)=O)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)NO
Show InChI InChI=1S/C14H12F9N3O6S/c1-7(10(27)24-28)25(6-8-2-4-9(5-3-8)26(29)30)33(31,32)14(22,23)12(17,18)11(15,16)13(19,20)21/h2-5,7,28H,6H2,1H3,(H,24,27)
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Assay Description
Initial rates for the hydrolysis of the thioester substrate AcProLeuGly-S-LeuLeuGlyOEt, coupled to the reaction with 5,5-dithiobis(2-nitrobenzoic aci...

J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM11330
PNG
(2-[benzyl(2,3,4,5,6-pentafluorobenzene)sulfonamido...)
Show SMILES ONC(=O)CN(Cc1ccccc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F
Show InChI InChI=1S/C15H11F5N2O4S/c16-10-11(17)13(19)15(14(20)12(10)18)27(25,26)22(7-9(23)21-24)6-8-4-2-1-3-5-8/h1-5,24H,6-7H2,(H,21,23)
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Assay Description
Initial rates for the hydrolysis of the thioester substrate AcProLeuGly-S-LeuLeuGlyOEt, coupled to the reaction with 5,5-dithiobis(2-nitrobenzoic aci...

J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM11353
PNG
(Hydroxamate 34 | N-hydroxy-2-{[(4-nitrophenyl)meth...)
Show SMILES ONC(=O)CN(Cc1ccc(cc1)N(=O)=O)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
Show InChI InChI=1S/C13H10F9N3O6S/c14-10(15,12(18,19)20)11(16,17)13(21,22)32(30,31)24(6-9(26)23-27)5-7-1-3-8(4-2-7)25(28)29/h1-4,27H,5-6H2,(H,23,26)
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Assay Description
Initial rates for the hydrolysis of the thioester substrate AcProLeuGly-S-LeuLeuGlyOEt, coupled to the reaction with 5,5-dithiobis(2-nitrobenzoic aci...

J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM11359
PNG
(Hydroxamate 40 | N-hydroxy-2-{[(4-nitrophenyl)meth...)
Show SMILES CC(N(Cc1ccc(cc1)N(=O)=O)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)NO
Show InChI InChI=1S/C14H12F9N3O6S/c1-7(10(27)24-28)25(6-8-2-4-9(5-3-8)26(29)30)33(31,32)14(22,23)12(17,18)11(15,16)13(19,20)21/h2-5,7,28H,6H2,1H3,(H,24,27)
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Assay Description
Initial rates for the hydrolysis of the thioester substrate AcProLeuGly-S-LeuLeuGlyOEt, coupled to the reaction with 5,5-dithiobis(2-nitrobenzoic aci...

J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM11363
PNG
(2-{[(2-chlorophenyl)methyl](2,3,4,5,6-pentafluorob...)
Show SMILES CC(N(Cc1ccccc1Cl)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)NO
Show InChI InChI=1S/C16H12ClF5N2O4S/c1-7(16(25)23-26)24(6-8-4-2-3-5-9(8)17)29(27,28)15-13(21)11(19)10(18)12(20)14(15)22/h2-5,7,26H,6H2,1H3,(H,23,25)
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Assay Description
Initial rates for the hydrolysis of the thioester substrate AcProLeuGly-S-LeuLeuGlyOEt, coupled to the reaction with 5,5-dithiobis(2-nitrobenzoic aci...

J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM11363
PNG
(2-{[(2-chlorophenyl)methyl](2,3,4,5,6-pentafluorob...)
Show SMILES CC(N(Cc1ccccc1Cl)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)NO
Show InChI InChI=1S/C16H12ClF5N2O4S/c1-7(16(25)23-26)24(6-8-4-2-3-5-9(8)17)29(27,28)15-13(21)11(19)10(18)12(20)14(15)22/h2-5,7,26H,6H2,1H3,(H,23,25)
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Assay Description
Initial rates for the hydrolysis of the thioester substrate AcProLeuGly-S-LeuLeuGlyOEt, coupled to the reaction with 5,5-dithiobis(2-nitrobenzoic aci...

J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM11347
PNG
(2-[benzyl(1,1,2,2,3,3,4,4,4-nonafluorobutane)sulfo...)
Show SMILES CC(C)CC(N(Cc1ccccc1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)NO
Show InChI InChI=1S/C17H19F9N2O4S/c1-10(2)8-12(13(29)27-30)28(9-11-6-4-3-5-7-11)33(31,32)17(25,26)15(20,21)14(18,19)16(22,23)24/h3-7,10,12,30H,8-9H2,1-2H3,(H,27,29)
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Assay Description
Initial rates for the hydrolysis of the thioester substrate AcProLeuGly-S-LeuLeuGlyOEt, coupled to the reaction with 5,5-dithiobis(2-nitrobenzoic aci...

J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM11353
PNG
(Hydroxamate 34 | N-hydroxy-2-{[(4-nitrophenyl)meth...)
Show SMILES ONC(=O)CN(Cc1ccc(cc1)N(=O)=O)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
Show InChI InChI=1S/C13H10F9N3O6S/c14-10(15,12(18,19)20)11(16,17)13(21,22)32(30,31)24(6-9(26)23-27)5-7-1-3-8(4-2-7)25(28)29/h1-4,27H,5-6H2,(H,23,26)
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Assay Description
Initial rates for the hydrolysis of the thioester substrate AcProLeuGly-S-LeuLeuGlyOEt, coupled to the reaction with 5,5-dithiobis(2-nitrobenzoic aci...

J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))		BDBM11359
PNG
(Hydroxamate 40 | N-hydroxy-2-{[(4-nitrophenyl)meth...)
Show SMILES CC(N(Cc1ccc(cc1)N(=O)=O)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)NO
Show InChI InChI=1S/C14H12F9N3O6S/c1-7(10(27)24-28)25(6-8-2-4-9(5-3-8)26(29)30)33(31,32)14(22,23)12(17,18)11(15,16)13(19,20)21/h2-5,7,28H,6H2,1H3,(H,24,27)
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 2.30n/an/an/an/an/an/an/an/a



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Assay Description
Initial rates for the hydrolysis of the thioester substrate AcProLeuGly-S-LeuLeuGlyOEt, coupled to the reaction with 5,5-dithiobis(2-nitrobenzoic aci...

J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))		BDBM11353
PNG
(Hydroxamate 34 | N-hydroxy-2-{[(4-nitrophenyl)meth...)
Show SMILES ONC(=O)CN(Cc1ccc(cc1)N(=O)=O)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
Show InChI InChI=1S/C13H10F9N3O6S/c14-10(15,12(18,19)20)11(16,17)13(21,22)32(30,31)24(6-9(26)23-27)5-7-1-3-8(4-2-7)25(28)29/h1-4,27H,5-6H2,(H,23,26)
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 2.40n/an/an/an/an/an/an/an/a



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Assay Description
Initial rates for the hydrolysis of the thioester substrate AcProLeuGly-S-LeuLeuGlyOEt, coupled to the reaction with 5,5-dithiobis(2-nitrobenzoic aci...

J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM11342
PNG
(2-[benzyl(1,1,2,2,3,3,4,4,4-nonafluorobutane)sulfo...)
Show SMILES CC(C)C(N(Cc1ccccc1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)NO
Show InChI InChI=1S/C16H17F9N2O4S/c1-9(2)11(12(28)26-29)27(8-10-6-4-3-5-7-10)32(30,31)16(24,25)14(19,20)13(17,18)15(21,22)23/h3-7,9,11,29H,8H2,1-2H3,(H,26,28)
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 2.40n/an/an/an/an/an/an/an/a



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Assay Description
Initial rates for the hydrolysis of the thioester substrate AcProLeuGly-S-LeuLeuGlyOEt, coupled to the reaction with 5,5-dithiobis(2-nitrobenzoic aci...

J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM11356
PNG
(Hydroxamate 37 | N-hydroxy-2-{[(2-nitrophenyl)meth...)
Show SMILES CC(N(Cc1ccccc1N(=O)=O)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)NO
Show InChI InChI=1S/C14H12F9N3O6S/c1-7(10(27)24-28)25(6-8-4-2-3-5-9(8)26(29)30)33(31,32)14(22,23)12(17,18)11(15,16)13(19,20)21/h2-5,7,28H,6H2,1H3,(H,24,27)
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 2.90n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
Initial rates for the hydrolysis of the thioester substrate AcProLeuGly-S-LeuLeuGlyOEt, coupled to the reaction with 5,5-dithiobis(2-nitrobenzoic aci...

J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))		BDBM11354
PNG
(Hydroxamate 35 | N-Pentafluorophenylsulfonyl-N-4-n...)
Show SMILES ONC(=O)CN(Cc1ccc(cc1)N(=O)=O)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F
Show InChI InChI=1S/C15H10F5N3O6S/c16-10-11(17)13(19)15(14(20)12(10)18)30(28,29)22(6-9(24)21-25)5-7-1-3-8(4-2-7)23(26)27/h1-4,25H,5-6H2,(H,21,24)
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 3n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
Initial rates for the hydrolysis of the thioester substrate AcProLeuGly-S-LeuLeuGlyOEt, coupled to the reaction with 5,5-dithiobis(2-nitrobenzoic aci...

J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM11335
PNG
(2-[benzyl(1,1,2,2,3,3,4,4,4-nonafluorobutane)sulfo...)
Show SMILES CC(N(Cc1ccccc1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)NO
Show InChI InChI=1S/C14H13F9N2O4S/c1-8(10(26)24-27)25(7-9-5-3-2-4-6-9)30(28,29)14(22,23)12(17,18)11(15,16)13(19,20)21/h2-6,8,27H,7H2,1H3,(H,24,26)
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 3.20n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
Initial rates for the hydrolysis of the thioester substrate AcProLeuGly-S-LeuLeuGlyOEt, coupled to the reaction with 5,5-dithiobis(2-nitrobenzoic aci...

J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))		BDBM11347
PNG
(2-[benzyl(1,1,2,2,3,3,4,4,4-nonafluorobutane)sulfo...)
Show SMILES CC(C)CC(N(Cc1ccccc1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)NO
Show InChI InChI=1S/C17H19F9N2O4S/c1-10(2)8-12(13(29)27-30)28(9-11-6-4-3-5-7-11)33(31,32)17(25,26)15(20,21)14(18,19)16(22,23)24/h3-7,10,12,30H,8-9H2,1-2H3,(H,27,29)
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 3.30n/an/an/an/an/an/an/an/a



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Assay Description
Initial rates for the hydrolysis of the thioester substrate AcProLeuGly-S-LeuLeuGlyOEt, coupled to the reaction with 5,5-dithiobis(2-nitrobenzoic aci...

J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM11362
PNG
(2-{[(2-chlorophenyl)methyl](1,1,2,2,3,3,4,4,4-nona...)
Show SMILES CC(N(Cc1ccccc1Cl)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)NO
Show InChI InChI=1S/C14H12ClF9N2O4S/c1-7(10(27)25-28)26(6-8-4-2-3-5-9(8)15)31(29,30)14(23,24)12(18,19)11(16,17)13(20,21)22/h2-5,7,28H,6H2,1H3,(H,25,27)
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 3.70n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
Initial rates for the hydrolysis of the thioester substrate AcProLeuGly-S-LeuLeuGlyOEt, coupled to the reaction with 5,5-dithiobis(2-nitrobenzoic aci...

J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM11350
PNG
(Hydroxamate 31 | N-hydroxy-2-{[(2-nitrophenyl)meth...)
Show SMILES ONC(=O)CN(Cc1ccccc1N(=O)=O)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
Show InChI InChI=1S/C13H10F9N3O6S/c14-10(15,12(18,19)20)11(16,17)13(21,22)32(30,31)24(6-9(26)23-27)5-7-3-1-2-4-8(7)25(28)29/h1-4,27H,5-6H2,(H,23,26)
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 3.70n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
Initial rates for the hydrolysis of the thioester substrate AcProLeuGly-S-LeuLeuGlyOEt, coupled to the reaction with 5,5-dithiobis(2-nitrobenzoic aci...

J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM11329
PNG
(2-[benzyl(1,1,2,2,3,3,4,4,4-nonafluorobutane)sulfo...)
Show SMILES ONC(=O)CN(Cc1ccccc1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
Show InChI InChI=1S/C13H11F9N2O4S/c14-10(15,12(18,19)20)11(16,17)13(21,22)29(27,28)24(7-9(25)23-26)6-8-4-2-1-3-5-8/h1-5,26H,6-7H2,(H,23,25)
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 3.90n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
Initial rates for the hydrolysis of the thioester substrate AcProLeuGly-S-LeuLeuGlyOEt, coupled to the reaction with 5,5-dithiobis(2-nitrobenzoic aci...

J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM11347
PNG
(2-[benzyl(1,1,2,2,3,3,4,4,4-nonafluorobutane)sulfo...)
Show SMILES CC(C)CC(N(Cc1ccccc1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)NO
Show InChI InChI=1S/C17H19F9N2O4S/c1-10(2)8-12(13(29)27-30)28(9-11-6-4-3-5-7-11)33(31,32)17(25,26)15(20,21)14(18,19)16(22,23)24/h3-7,10,12,30H,8-9H2,1-2H3,(H,27,29)
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 4n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
Initial rates for the hydrolysis of the thioester substrate AcProLeuGly-S-LeuLeuGlyOEt, coupled to the reaction with 5,5-dithiobis(2-nitrobenzoic aci...

J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM11381
PNG
(3-chloro-N-hydroxy-4-nitrobenzene-1-sulfonamide | ...)
Show SMILES ONS(=O)(=O)c1ccc(c(Cl)c1)N(=O)=O
Show InChI InChI=1S/C6H5ClN2O5S/c7-5-3-4(15(13,14)8-10)1-2-6(5)9(11)12/h1-3,8,10H
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 4n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...

J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Interstitial collagenase


(Homo sapiens (Human))		BDBM11360
PNG
(Hydroxamate 41 | N-hydroxy-2-{[(4-nitrophenyl)meth...)
Show SMILES CC(N(Cc1ccc(cc1)N(=O)=O)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)NO
Show InChI InChI=1S/C16H12F5N3O6S/c1-7(16(25)22-26)23(6-8-2-4-9(5-3-8)24(27)28)31(29,30)15-13(20)11(18)10(17)12(19)14(15)21/h2-5,7,26H,6H2,1H3,(H,22,25)
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 4n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
Initial rates for the hydrolysis of the thioester substrate AcProLeuGly-S-LeuLeuGlyOEt, coupled to the reaction with 5,5-dithiobis(2-nitrobenzoic aci...

J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))		BDBM11342
PNG
(2-[benzyl(1,1,2,2,3,3,4,4,4-nonafluorobutane)sulfo...)
Show SMILES CC(C)C(N(Cc1ccccc1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)NO
Show InChI InChI=1S/C16H17F9N2O4S/c1-9(2)11(12(28)26-29)27(8-10-6-4-3-5-7-10)32(30,31)16(24,25)14(19,20)13(17,18)15(21,22)23/h3-7,9,11,29H,8H2,1-2H3,(H,26,28)
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 4.20n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
Initial rates for the hydrolysis of the thioester substrate AcProLeuGly-S-LeuLeuGlyOEt, coupled to the reaction with 5,5-dithiobis(2-nitrobenzoic aci...

J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%