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Compile Data Set for Download or QSAR

Found 68 hits of ki for UniProtKB: P03956   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
72 kDa type IV collagenase/Collagenase 3/Interstitial collagenase/Matrix metalloproteinase-9/Neutrophil collagenase


(Homo sapiens (Human))
BDBM50088118
PNG
(2-(N-(4-nitrobenzyl)-2,3,4,5,6-pentafluorophenylsu...)
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)
PDB

KEGG

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5n/an/an/an/an/an/an/an/a



Università degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against the Clostridium histolyticum collagenase (ChC)


J Med Chem 43: 1858-65 (2000)


BindingDB Entry DOI: 10.7270/Q2ZW1K4G
More data for this
Ligand-Target Pair
72 kDa type IV collagenase/Collagenase 3/Interstitial collagenase/Matrix metalloproteinase-9/Neutrophil collagenase


(Homo sapiens (Human))
BDBM50088065
PNG
(CHEMBL54054 | N-Hydroxy-2-[(4-nitro-benzyl)-(3-tri...)
Show SMILES ONC(=O)CN(Cc1ccc(cc1)[N+]([O-])=O)S(=O)(=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C16H14F3N3O6S/c17-16(18,19)12-2-1-3-14(8-12)29(27,28)21(10-15(23)20-24)9-11-4-6-13(7-5-11)22(25)26/h1-8,24H,9-10H2,(H,20,23)
PDB

KEGG

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5n/an/an/an/an/an/an/an/a



Università degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against the Clostridium histolyticum collagenase (ChC)


J Med Chem 43: 1858-65 (2000)


BindingDB Entry DOI: 10.7270/Q2ZW1K4G
More data for this
Ligand-Target Pair
72 kDa type IV collagenase/Collagenase 3/Interstitial collagenase/Matrix metalloproteinase-9/Neutrophil collagenase


(Homo sapiens (Human))
BDBM50088070
PNG
(CHEMBL301977 | {5-[Hydroxycarbamoylmethyl-(4-nitro...)
Show SMILES COc1ccc(cc1NC(=O)OC(C)(C)C)S(=O)(=O)N(CC(=O)NO)Cc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C21H26N4O9S/c1-21(2,3)34-20(27)22-17-11-16(9-10-18(17)33-4)35(31,32)24(13-19(26)23-28)12-14-5-7-15(8-6-14)25(29)30/h5-11,28H,12-13H2,1-4H3,(H,22,27)(H,23,26)
PDB

KEGG

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6n/an/an/an/an/an/an/an/a



Università degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against the Clostridium histolyticum collagenase (ChC)


J Med Chem 43: 1858-65 (2000)


BindingDB Entry DOI: 10.7270/Q2ZW1K4G
More data for this
Ligand-Target Pair
72 kDa type IV collagenase/Collagenase 3/Interstitial collagenase/Matrix metalloproteinase-9/Neutrophil collagenase


(Homo sapiens (Human))
BDBM50088120
PNG
(2-[3-Benzoyl-1-(4-nitro-benzyl)-thioureido]-N-hydr...)
Show SMILES ONC(=O)CN(Cc1ccc(cc1)[N+]([O-])=O)C(=S)NC(=O)c1ccccc1
Show InChI InChI=1S/C17H16N4O5S/c22-15(19-24)11-20(10-12-6-8-14(9-7-12)21(25)26)17(27)18-16(23)13-4-2-1-3-5-13/h1-9,24H,10-11H2,(H,19,22)(H,18,23,27)
PDB

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6n/an/an/an/an/an/an/an/a



Università degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against the Clostridium histolyticum collagenase (ChC)


J Med Chem 43: 1858-65 (2000)


BindingDB Entry DOI: 10.7270/Q2ZW1K4G
More data for this
Ligand-Target Pair
72 kDa type IV collagenase/Collagenase 3/Interstitial collagenase/Matrix metalloproteinase-9/Neutrophil collagenase


(Homo sapiens (Human))
BDBM50088067
PNG
(4-[Hydroxycarbamoylmethyl-(4-nitro-benzyl)-sulfamo...)
Show SMILES ONC(=O)CN(Cc1ccc(cc1)[N+]([O-])=O)S(=O)(=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C16H15N3O8S/c20-15(17-23)10-18(9-11-1-5-13(6-2-11)19(24)25)28(26,27)14-7-3-12(4-8-14)16(21)22/h1-8,23H,9-10H2,(H,17,20)(H,21,22)
PDB

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7n/an/an/an/an/an/an/an/a



Università degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against the Clostridium histolyticum collagenase (ChC)


J Med Chem 43: 1858-65 (2000)


BindingDB Entry DOI: 10.7270/Q2ZW1K4G
More data for this
Ligand-Target Pair
72 kDa type IV collagenase/Collagenase 3/Interstitial collagenase/Matrix metalloproteinase-9/Neutrophil collagenase


(Homo sapiens (Human))
BDBM50088125
PNG
(2-[(Heptadecafluorooctane-1-sulfonyl)-(4-nitro-ben...)
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)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
Show InChI InChI=1S/C17H10F17N3O6S/c18-10(19,12(22,23)14(26,27)16(30,31)32)11(20,21)13(24,25)15(28,29)17(33,34)44(42,43)36(6-9(38)35-39)5-7-1-3-8(4-2-7)37(40)41/h1-4,39H,5-6H2,(H,35,38)
PDB

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8n/an/an/an/an/an/an/an/a



Università degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against the Clostridium histolyticum collagenase (ChC)


J Med Chem 43: 1858-65 (2000)


BindingDB Entry DOI: 10.7270/Q2ZW1K4G
More data for this
Ligand-Target Pair
72 kDa type IV collagenase/Collagenase 3/Interstitial collagenase/Matrix metalloproteinase-9/Neutrophil collagenase


(Homo sapiens (Human))
BDBM50088111
PNG
(2-[1-(4-nitro-benzyl)-(sulfonyl-(4-chlorobenzene))...)
Show SMILES ONC(=O)CN(Cc1ccc(cc1)[N+]([O-])=O)C(=O)NS(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H15ClN4O7S/c17-12-3-7-14(8-4-12)29(27,28)19-16(23)20(10-15(22)18-24)9-11-1-5-13(6-2-11)21(25)26/h1-8,24H,9-10H2,(H,18,22)(H,19,23)
PDB

KEGG

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9n/an/an/an/an/an/an/an/a



Università degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against the Clostridium histolyticum collagenase (ChC)


J Med Chem 43: 1858-65 (2000)


BindingDB Entry DOI: 10.7270/Q2ZW1K4G
More data for this
Ligand-Target Pair
72 kDa type IV collagenase/Collagenase 3/Interstitial collagenase/Matrix metalloproteinase-9/Neutrophil collagenase


(Homo sapiens (Human))
BDBM50088091
PNG
(2-[(3,5-Dichloro-2-hydroxy-benzenesulfonyl)-(4-nit...)
Show SMILES ONC(=O)CN(Cc1ccc(cc1)[N+]([O-])=O)S(=O)(=O)c1cc(Cl)cc(Cl)c1O
Show InChI InChI=1S/C15H13Cl2N3O7S/c16-10-5-12(17)15(22)13(6-10)28(26,27)19(8-14(21)18-23)7-9-1-3-11(4-2-9)20(24)25/h1-6,22-23H,7-8H2,(H,18,21)
PDB

KEGG

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9n/an/an/an/an/an/an/an/a



Università degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against the Clostridium histolyticum collagenase (ChC)


J Med Chem 43: 1858-65 (2000)


BindingDB Entry DOI: 10.7270/Q2ZW1K4G
More data for this
Ligand-Target Pair
72 kDa type IV collagenase/Collagenase 3/Interstitial collagenase/Matrix metalloproteinase-9/Neutrophil collagenase


(Homo sapiens (Human))
BDBM50088127
PNG
(CHEMBL293305 | {4-[Hydroxycarbamoylmethyl-(4-nitro...)
Show SMILES CC(C)(C)OC(=O)Nc1ccc(cc1)S(=O)(=O)N(CC(=O)NO)Cc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C20H24N4O8S/c1-20(2,3)32-19(26)21-15-6-10-17(11-7-15)33(30,31)23(13-18(25)22-27)12-14-4-8-16(9-5-14)24(28)29/h4-11,27H,12-13H2,1-3H3,(H,21,26)(H,22,25)
PDB

KEGG

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9n/an/an/an/an/an/an/an/a



Università degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against the Clostridium histolyticum collagenase (ChC)


J Med Chem 43: 1858-65 (2000)


BindingDB Entry DOI: 10.7270/Q2ZW1K4G
More data for this
Ligand-Target Pair
72 kDa type IV collagenase/Collagenase 3/Interstitial collagenase/Matrix metalloproteinase-9/Neutrophil collagenase


(Homo sapiens (Human))
BDBM50088099
PNG
(CHEMBL298822 | N-Hydroxy-2-[(4-nitro-benzyl)-(thio...)
Show SMILES ONC(=O)CN(Cc1ccc(cc1)[N+]([O-])=O)S(=O)(=O)c1cccs1
Show InChI InChI=1S/C13H13N3O6S2/c17-12(14-18)9-15(24(21,22)13-2-1-7-23-13)8-10-3-5-11(6-4-10)16(19)20/h1-7,18H,8-9H2,(H,14,17)
PDB

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9n/an/an/an/an/an/an/an/a



Università degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against the Clostridium histolyticum collagenase (ChC)


J Med Chem 43: 1858-65 (2000)


BindingDB Entry DOI: 10.7270/Q2ZW1K4G
More data for this
Ligand-Target Pair
72 kDa type IV collagenase/Collagenase 3/Interstitial collagenase/Matrix metalloproteinase-9/Neutrophil collagenase


(Homo sapiens (Human))
BDBM50088116
PNG
(CHEMBL280017 | {3-[Hydroxycarbamoylmethyl-(4-nitro...)
Show SMILES CC(C)(C)OC(=O)Nc1cccc(c1)S(=O)(=O)N(CC(=O)NO)Cc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C20H24N4O8S/c1-20(2,3)32-19(26)21-15-5-4-6-17(11-15)33(30,31)23(13-18(25)22-27)12-14-7-9-16(10-8-14)24(28)29/h4-11,27H,12-13H2,1-3H3,(H,21,26)(H,22,25)
PDB

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9n/an/an/an/an/an/an/an/a



Università degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against the Clostridium histolyticum collagenase (ChC)


J Med Chem 43: 1858-65 (2000)


BindingDB Entry DOI: 10.7270/Q2ZW1K4G
More data for this
Ligand-Target Pair
72 kDa type IV collagenase/Collagenase 3/Interstitial collagenase/Matrix metalloproteinase-9/Neutrophil collagenase


(Homo sapiens (Human))
BDBM50088068
PNG
(2-[1-(4-nitro-benzyl)-(sulfonyl-(4-fluorobenzene))...)
Show SMILES ONC(=O)CN(Cc1ccc(cc1)[N+]([O-])=O)C(=O)NS(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C16H15FN4O7S/c17-12-3-7-14(8-4-12)29(27,28)19-16(23)20(10-15(22)18-24)9-11-1-5-13(6-2-11)21(25)26/h1-8,24H,9-10H2,(H,18,22)(H,19,23)
PDB

KEGG

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10n/an/an/an/an/an/an/an/a



Università degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against the Clostridium histolyticum collagenase (ChC)


J Med Chem 43: 1858-65 (2000)


BindingDB Entry DOI: 10.7270/Q2ZW1K4G
More data for this
Ligand-Target Pair
72 kDa type IV collagenase/Collagenase 3/Interstitial collagenase/Matrix metalloproteinase-9/Neutrophil collagenase


(Homo sapiens (Human))
BDBM50088115
PNG
(2-[(4-Acetylamino-benzenesulfonyl)-(4-nitro-benzyl...)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)N(CC(=O)NO)Cc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C17H18N4O7S/c1-12(22)18-14-4-8-16(9-5-14)29(27,28)20(11-17(23)19-24)10-13-2-6-15(7-3-13)21(25)26/h2-9,24H,10-11H2,1H3,(H,18,22)(H,19,23)
PDB

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10n/an/an/an/an/an/an/an/a



Università degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against the Clostridium histolyticum collagenase (ChC)


J Med Chem 43: 1858-65 (2000)


BindingDB Entry DOI: 10.7270/Q2ZW1K4G
More data for this
Ligand-Target Pair
72 kDa type IV collagenase/Collagenase 3/Interstitial collagenase/Matrix metalloproteinase-9/Neutrophil collagenase


(Homo sapiens (Human))
BDBM50088121
PNG
(2-[(3-Chloro-4-nitro-benzenesulfonyl)-(4-nitro-ben...)
Show SMILES ONC(=O)CN(Cc1ccc(cc1)[N+]([O-])=O)S(=O)(=O)c1ccc(c(Cl)c1)[N+]([O-])=O
Show InChI InChI=1S/C15H13ClN4O8S/c16-13-7-12(5-6-14(13)20(25)26)29(27,28)18(9-15(21)17-22)8-10-1-3-11(4-2-10)19(23)24/h1-7,22H,8-9H2,(H,17,21)
PDB

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10n/an/an/an/an/an/an/an/a



Università degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against the Clostridium histolyticum collagenase (ChC)


J Med Chem 43: 1858-65 (2000)


BindingDB Entry DOI: 10.7270/Q2ZW1K4G
More data for this
Ligand-Target Pair
72 kDa type IV collagenase/Collagenase 3/Interstitial collagenase/Matrix metalloproteinase-9/Neutrophil collagenase


(Homo sapiens (Human))
BDBM50088077
PNG
(CHEMBL53051 | N-Hydroxy-2-[(4-nitro-benzyl)-(2-nit...)
Show SMILES ONC(=O)CN(Cc1ccc(cc1)[N+]([O-])=O)Sc1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C15H14N4O6S/c20-15(16-21)10-17(9-11-5-7-12(8-6-11)18(22)23)26-14-4-2-1-3-13(14)19(24)25/h1-8,21H,9-10H2,(H,16,20)
PDB

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10n/an/an/an/an/an/an/an/a



Università degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against the Clostridium histolyticum collagenase (ChC)


J Med Chem 43: 1858-65 (2000)


BindingDB Entry DOI: 10.7270/Q2ZW1K4G
More data for this
Ligand-Target Pair
72 kDa type IV collagenase/Collagenase 3/Interstitial collagenase/Matrix metalloproteinase-9/Neutrophil collagenase


(Homo sapiens (Human))
BDBM50088085
PNG
(2-[1-(4-nitro-benzyl)-(sulfonyl-(2-methylbenzene))...)
Show SMILES Cc1ccccc1S(=O)(=O)NC(=O)N(CC(=O)NO)Cc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C17H18N4O7S/c1-12-4-2-3-5-15(12)29(27,28)19-17(23)20(11-16(22)18-24)10-13-6-8-14(9-7-13)21(25)26/h2-9,24H,10-11H2,1H3,(H,18,22)(H,19,23)
PDB

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10n/an/an/an/an/an/an/an/a



Università degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against the Clostridium histolyticum collagenase (ChC)


J Med Chem 43: 1858-65 (2000)


BindingDB Entry DOI: 10.7270/Q2ZW1K4G
More data for this
Ligand-Target Pair
72 kDa type IV collagenase/Collagenase 3/Interstitial collagenase/Matrix metalloproteinase-9/Neutrophil collagenase


(Homo sapiens (Human))
BDBM50088114
PNG
(3-[Hydroxycarbamoylmethyl-(4-nitro-benzyl)-sulfamo...)
Show SMILES ONC(=O)CN(Cc1ccc(cc1)[N+]([O-])=O)S(=O)(=O)c1cccc(c1)C(O)=O
Show InChI InChI=1S/C16H15N3O8S/c20-15(17-23)10-18(9-11-4-6-13(7-5-11)19(24)25)28(26,27)14-3-1-2-12(8-14)16(21)22/h1-8,23H,9-10H2,(H,17,20)(H,21,22)
PDB

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10n/an/an/an/an/an/an/an/a



Università degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against the Clostridium histolyticum collagenase (ChC)


J Med Chem 43: 1858-65 (2000)


BindingDB Entry DOI: 10.7270/Q2ZW1K4G
More data for this
Ligand-Target Pair
72 kDa type IV collagenase/Collagenase 3/Interstitial collagenase/Matrix metalloproteinase-9/Neutrophil collagenase


(Homo sapiens (Human))
BDBM50088096
PNG
(CHEMBL417749 | N-Hydroxy-2-[(naphthalene-2-sulfony...)
Show SMILES ONC(=O)CN(Cc1ccc(cc1)[N+]([O-])=O)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C19H17N3O6S/c23-19(20-24)13-21(12-14-5-8-17(9-6-14)22(25)26)29(27,28)18-10-7-15-3-1-2-4-16(15)11-18/h1-11,24H,12-13H2,(H,20,23)
PDB

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10n/an/an/an/an/an/an/an/a



Università degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against the Clostridium histolyticum collagenase (ChC)


J Med Chem 43: 1858-65 (2000)


BindingDB Entry DOI: 10.7270/Q2ZW1K4G
More data for this
Ligand-Target Pair
72 kDa type IV collagenase/Collagenase 3/Interstitial collagenase/Matrix metalloproteinase-9/Neutrophil collagenase


(Homo sapiens (Human))
BDBM50088122
PNG
(2-[3-(3,4-Dichloro-phenyl)-1-(4-nitro-benzyl)-urei...)
Show SMILES ONC(=O)CN(Cc1ccc(cc1)[N+]([O-])=O)C(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H14Cl2N4O5/c17-13-6-3-11(7-14(13)18)19-16(24)21(9-15(23)20-25)8-10-1-4-12(5-2-10)22(26)27/h1-7,25H,8-9H2,(H,19,24)(H,20,23)
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11n/an/an/an/an/an/an/an/a



Università degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against the Clostridium histolyticum collagenase (ChC)


J Med Chem 43: 1858-65 (2000)


BindingDB Entry DOI: 10.7270/Q2ZW1K4G
More data for this
Ligand-Target Pair
72 kDa type IV collagenase/Collagenase 3/Interstitial collagenase/Matrix metalloproteinase-9/Neutrophil collagenase


(Homo sapiens (Human))
BDBM50088128
PNG
(2-(N-(4-nitrobenzyl)-4,4,12,12,15,15,18,18,18-nona...)
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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12n/an/an/an/an/an/an/an/a



Università degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against the Clostridium histolyticum collagenase (ChC)


J Med Chem 43: 1858-65 (2000)


BindingDB Entry DOI: 10.7270/Q2ZW1K4G
More data for this
Ligand-Target Pair
72 kDa type IV collagenase/Collagenase 3/Interstitial collagenase/Matrix metalloproteinase-9/Neutrophil collagenase


(Homo sapiens (Human))
BDBM50088105
PNG
(2-[(2,4-Dinitro-phenylsulfanyl)-(4-nitro-benzyl)-a...)
Show SMILES ONC(=O)CN(Cc1ccc(cc1)[N+]([O-])=O)Sc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C15H13N5O8S/c21-15(16-22)9-17(8-10-1-3-11(4-2-10)18(23)24)29-14-6-5-12(19(25)26)7-13(14)20(27)28/h1-7,22H,8-9H2,(H,16,21)
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12n/an/an/an/an/an/an/an/a



Università degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against the Clostridium histolyticum collagenase (ChC)


J Med Chem 43: 1858-65 (2000)


BindingDB Entry DOI: 10.7270/Q2ZW1K4G
More data for this
Ligand-Target Pair
72 kDa type IV collagenase/Collagenase 3/Interstitial collagenase/Matrix metalloproteinase-9/Neutrophil collagenase


(Homo sapiens (Human))
BDBM50088078
PNG
(2-[(5-Dimethylamino-naphthalene-1-sulfonyl)-(4-nit...)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)N(CC(=O)NO)Cc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C21H22N4O6S/c1-23(2)19-7-3-6-18-17(19)5-4-8-20(18)32(30,31)24(14-21(26)22-27)13-15-9-11-16(12-10-15)25(28)29/h3-12,27H,13-14H2,1-2H3,(H,22,26)
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12n/an/an/an/an/an/an/an/a



Università degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against the Clostridium histolyticum collagenase (ChC)


J Med Chem 43: 1858-65 (2000)


BindingDB Entry DOI: 10.7270/Q2ZW1K4G
More data for this
Ligand-Target Pair
72 kDa type IV collagenase/Collagenase 3/Interstitial collagenase/Matrix metalloproteinase-9/Neutrophil collagenase


(Homo sapiens (Human))
BDBM50088090
PNG
(2-[1-(4-nitro-benzyl)-(sulfonyl-(4-methylbenzene))...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)N(CC(=O)NO)Cc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C17H18N4O7S/c1-12-2-8-15(9-3-12)29(27,28)19-17(23)20(11-16(22)18-24)10-13-4-6-14(7-5-13)21(25)26/h2-9,24H,10-11H2,1H3,(H,18,22)(H,19,23)
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12n/an/an/an/an/an/an/an/a



Università degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against the Clostridium histolyticum collagenase (ChC)


J Med Chem 43: 1858-65 (2000)


BindingDB Entry DOI: 10.7270/Q2ZW1K4G
More data for this
Ligand-Target Pair
72 kDa type IV collagenase/Collagenase 3/Interstitial collagenase/Matrix metalloproteinase-9/Neutrophil collagenase


(Homo sapiens (Human))
BDBM50088130
PNG
(CHEMBL53044 | N-Hydroxy-2-[(3-nitro-benzenesulfony...)
Show SMILES ONC(=O)CN(Cc1ccc(cc1)[N+]([O-])=O)S(=O)(=O)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C15H14N4O8S/c20-15(16-21)10-17(9-11-4-6-12(7-5-11)18(22)23)28(26,27)14-3-1-2-13(8-14)19(24)25/h1-8,21H,9-10H2,(H,16,20)
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12n/an/an/an/an/an/an/an/a



Università degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against the Clostridium histolyticum collagenase (ChC)


J Med Chem 43: 1858-65 (2000)


BindingDB Entry DOI: 10.7270/Q2ZW1K4G
More data for this
Ligand-Target Pair
72 kDa type IV collagenase/Collagenase 3/Interstitial collagenase/Matrix metalloproteinase-9/Neutrophil collagenase


(Homo sapiens (Human))
BDBM50088098
PNG
(2-[3-(2,4-Difluoro-phenyl)-1-(4-nitro-benzyl)-urei...)
Show SMILES ONC(=O)CN(Cc1ccc(cc1)[N+]([O-])=O)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C16H14F2N4O5/c17-11-3-6-14(13(18)7-11)19-16(24)21(9-15(23)20-25)8-10-1-4-12(5-2-10)22(26)27/h1-7,25H,8-9H2,(H,19,24)(H,20,23)
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13n/an/an/an/an/an/an/an/a



Università degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against the Clostridium histolyticum collagenase (ChC)


J Med Chem 43: 1858-65 (2000)


BindingDB Entry DOI: 10.7270/Q2ZW1K4G
More data for this
Ligand-Target Pair
72 kDa type IV collagenase/Collagenase 3/Interstitial collagenase/Matrix metalloproteinase-9/Neutrophil collagenase


(Homo sapiens (Human))
BDBM50088101
PNG
(CHEMBL292431 | N-Hydroxy-2-[(4-nitro-benzyl)-(4-ni...)
Show SMILES ONC(=O)CN(Cc1ccc(cc1)[N+]([O-])=O)Sc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C15H14N4O6S/c20-15(16-21)10-17(9-11-1-3-12(4-2-11)18(22)23)26-14-7-5-13(6-8-14)19(24)25/h1-8,21H,9-10H2,(H,16,20)
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13n/an/an/an/an/an/an/an/a



Università degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against the Clostridium histolyticum collagenase (ChC)


J Med Chem 43: 1858-65 (2000)


BindingDB Entry DOI: 10.7270/Q2ZW1K4G
More data for this
Ligand-Target Pair
72 kDa type IV collagenase/Collagenase 3/Interstitial collagenase/Matrix metalloproteinase-9/Neutrophil collagenase


(Homo sapiens (Human))
BDBM50088073
PNG
(CHEMBL54483 | N-Hydroxy-2-[(4-nitro-benzyl)-(4-(N-...)
Show SMILES ONC(=O)CN(Cc1ccc(cc1)[N+]([O-])=O)S(=O)(=O)c1ccc(NC(=O)NS(=O)(=O)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C22H20ClN5O9S2/c23-16-3-9-19(10-4-16)38(34,35)26-22(30)24-17-5-11-20(12-6-17)39(36,37)27(14-21(29)25-31)13-15-1-7-18(8-2-15)28(32)33/h1-12,31H,13-14H2,(H,25,29)(H2,24,26,30)
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13n/an/an/an/an/an/an/an/a



Università degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against the Clostridium histolyticum collagenase (ChC)


J Med Chem 43: 1858-65 (2000)


BindingDB Entry DOI: 10.7270/Q2ZW1K4G
More data for this
Ligand-Target Pair
72 kDa type IV collagenase/Collagenase 3/Interstitial collagenase/Matrix metalloproteinase-9/Neutrophil collagenase


(Homo sapiens (Human))
BDBM50088094
PNG
(CHEMBL298606 | N-Hydroxy-2-[(4-nitro-benzenesulfon...)
Show SMILES ONC(=O)CN(Cc1ccc(cc1)[N+]([O-])=O)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C15H14N4O8S/c20-15(16-21)10-17(9-11-1-3-12(4-2-11)18(22)23)28(26,27)14-7-5-13(6-8-14)19(24)25/h1-8,21H,9-10H2,(H,16,20)
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13n/an/an/an/an/an/an/an/a



Università degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against the Clostridium histolyticum collagenase (ChC)


J Med Chem 43: 1858-65 (2000)


BindingDB Entry DOI: 10.7270/Q2ZW1K4G
More data for this
Ligand-Target Pair
72 kDa type IV collagenase/Collagenase 3/Interstitial collagenase/Matrix metalloproteinase-9/Neutrophil collagenase


(Homo sapiens (Human))
BDBM50088072
PNG
(2-[1-(4-nitro-benzyl)-(sulfonyl-benzene)-ureido]-N...)
Show SMILES ONC(=O)CN(Cc1ccc(cc1)[N+]([O-])=O)C(=O)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C16H16N4O7S/c21-15(17-23)11-19(10-12-6-8-13(9-7-12)20(24)25)16(22)18-28(26,27)14-4-2-1-3-5-14/h1-9,23H,10-11H2,(H,17,21)(H,18,22)
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15n/an/an/an/an/an/an/an/a



Università degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against the Clostridium histolyticum collagenase (ChC)


J Med Chem 43: 1858-65 (2000)


BindingDB Entry DOI: 10.7270/Q2ZW1K4G
More data for this
Ligand-Target Pair
72 kDa type IV collagenase/Collagenase 3/Interstitial collagenase/Matrix metalloproteinase-9/Neutrophil collagenase


(Homo sapiens (Human))
BDBM50088066
PNG
(CHEMBL439931 | N-Hydroxy-2-[(4-nitro-benzyl)-(4-(N...)
Show SMILES ONC(=O)CN(Cc1ccc(cc1)[N+]([O-])=O)S(=O)(=O)c1ccc(NC(=O)NS(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C22H21N5O9S2/c28-21(24-30)15-26(14-16-6-10-18(11-7-16)27(31)32)38(35,36)20-12-8-17(9-13-20)23-22(29)25-37(33,34)19-4-2-1-3-5-19/h1-13,30H,14-15H2,(H,24,28)(H2,23,25,29)
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15n/an/an/an/an/an/an/an/a



Università degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against the Clostridium histolyticum collagenase (ChC)


J Med Chem 43: 1858-65 (2000)


BindingDB Entry DOI: 10.7270/Q2ZW1K4G
More data for this
Ligand-Target Pair
72 kDa type IV collagenase/Collagenase 3/Interstitial collagenase/Matrix metalloproteinase-9/Neutrophil collagenase


(Homo sapiens (Human))
BDBM50088104
PNG
(CHEMBL55236 | N-Hydroxy-2-[(naphthalene-1-sulfonyl...)
Show SMILES ONC(=O)CN(Cc1ccc(cc1)[N+]([O-])=O)S(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C19H17N3O6S/c23-19(20-24)13-21(12-14-8-10-16(11-9-14)22(25)26)29(27,28)18-7-3-5-15-4-1-2-6-17(15)18/h1-11,24H,12-13H2,(H,20,23)
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15n/an/an/an/an/an/an/an/a



Università degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against the Clostridium histolyticum collagenase (ChC)


J Med Chem 43: 1858-65 (2000)


BindingDB Entry DOI: 10.7270/Q2ZW1K4G
More data for this
Ligand-Target Pair
72 kDa type IV collagenase/Collagenase 3/Interstitial collagenase/Matrix metalloproteinase-9/Neutrophil collagenase


(Homo sapiens (Human))
BDBM50088093
PNG
(2-[3-(4-Chloro-phenyl)-1-(4-nitro-benzyl)-ureido]-...)
Show SMILES ONC(=O)CN(Cc1ccc(cc1)[N+]([O-])=O)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C16H15ClN4O5/c17-12-3-5-13(6-4-12)18-16(23)20(10-15(22)19-24)9-11-1-7-14(8-2-11)21(25)26/h1-8,24H,9-10H2,(H,18,23)(H,19,22)
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15n/an/an/an/an/an/an/an/a



Università degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against the Clostridium histolyticum collagenase (ChC)


J Med Chem 43: 1858-65 (2000)


BindingDB Entry DOI: 10.7270/Q2ZW1K4G
More data for this
Ligand-Target Pair
72 kDa type IV collagenase/Collagenase 3/Interstitial collagenase/Matrix metalloproteinase-9/Neutrophil collagenase


(Homo sapiens (Human))
BDBM50088087
PNG
(2-[(2,5-Dichloro-benzenesulfonyl)-(4-nitro-benzyl)...)
Show SMILES ONC(=O)CN(Cc1ccc(cc1)[N+]([O-])=O)S(=O)(=O)c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C15H13Cl2N3O6S/c16-11-3-6-13(17)14(7-11)27(25,26)19(9-15(21)18-22)8-10-1-4-12(5-2-10)20(23)24/h1-7,22H,8-9H2,(H,18,21)
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16n/an/an/an/an/an/an/an/a



Università degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against the Clostridium histolyticum collagenase (ChC)


J Med Chem 43: 1858-65 (2000)


BindingDB Entry DOI: 10.7270/Q2ZW1K4G
More data for this
Ligand-Target Pair
72 kDa type IV collagenase/Collagenase 3/Interstitial collagenase/Matrix metalloproteinase-9/Neutrophil collagenase


(Homo sapiens (Human))
BDBM50088108
PNG
(2-[3-(3-Chloro-phenyl)-1-(4-nitro-benzyl)-ureido]-...)
Show SMILES ONC(=O)CN(Cc1ccc(cc1)[N+]([O-])=O)C(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C16H15ClN4O5/c17-12-2-1-3-13(8-12)18-16(23)20(10-15(22)19-24)9-11-4-6-14(7-5-11)21(25)26/h1-8,24H,9-10H2,(H,18,23)(H,19,22)
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16n/an/an/an/an/an/an/an/a



Università degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against the Clostridium histolyticum collagenase (ChC)


J Med Chem 43: 1858-65 (2000)


BindingDB Entry DOI: 10.7270/Q2ZW1K4G
More data for this
Ligand-Target Pair
72 kDa type IV collagenase/Collagenase 3/Interstitial collagenase/Matrix metalloproteinase-9/Neutrophil collagenase


(Homo sapiens (Human))
BDBM50088089
PNG
(CHEMBL55984 | N-Hydroxy-2-[(4-nitro-benzyl)-(3-(N-...)
Show SMILES ONC(=O)CN(Cc1ccc(cc1)[N+]([O-])=O)S(=O)(=O)c1cccc(NC(=O)NS(=O)(=O)c2ccc(F)cc2)c1
Show InChI InChI=1S/C22H20FN5O9S2/c23-16-6-10-19(11-7-16)38(34,35)26-22(30)24-17-2-1-3-20(12-17)39(36,37)27(14-21(29)25-31)13-15-4-8-18(9-5-15)28(32)33/h1-12,31H,13-14H2,(H,25,29)(H2,24,26,30)
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17n/an/an/an/an/an/an/an/a



Università degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against the Clostridium histolyticum collagenase (ChC)


J Med Chem 43: 1858-65 (2000)


BindingDB Entry DOI: 10.7270/Q2ZW1K4G
More data for this
Ligand-Target Pair
72 kDa type IV collagenase/Collagenase 3/Interstitial collagenase/Matrix metalloproteinase-9/Neutrophil collagenase


(Homo sapiens (Human))
BDBM50088097
PNG
(CHEMBL56498 | N-Hydroxy-2-[(4-nitro-benzyl)-(3-(N-...)
Show SMILES ONC(=O)CN(Cc1ccc(cc1)[N+]([O-])=O)S(=O)(=O)c1cccc(NC(=O)NS(=O)(=O)c2ccccc2)c1
Show InChI InChI=1S/C22H21N5O9S2/c28-21(24-30)15-26(14-16-9-11-18(12-10-16)27(31)32)38(35,36)20-8-4-5-17(13-20)23-22(29)25-37(33,34)19-6-2-1-3-7-19/h1-13,30H,14-15H2,(H,24,28)(H2,23,25,29)
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18n/an/an/an/an/an/an/an/a



Università degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against the Clostridium histolyticum collagenase (ChC)


J Med Chem 43: 1858-65 (2000)


BindingDB Entry DOI: 10.7270/Q2ZW1K4G
More data for this
Ligand-Target Pair
72 kDa type IV collagenase/Collagenase 3/Interstitial collagenase/Matrix metalloproteinase-9/Neutrophil collagenase


(Homo sapiens (Human))
BDBM50088129
PNG
(CHEMBL54501 | N-Hydroxy-2-[3-naphthalen-1-yl-1-(4-...)
Show SMILES ONC(=O)CN(Cc1ccc(cc1)[N+]([O-])=O)C(=O)Nc1cccc2ccccc12
Show InChI InChI=1S/C20H18N4O5/c25-19(22-27)13-23(12-14-8-10-16(11-9-14)24(28)29)20(26)21-18-7-3-5-15-4-1-2-6-17(15)18/h1-11,27H,12-13H2,(H,21,26)(H,22,25)
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18n/an/an/an/an/an/an/an/a



Università degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against the Clostridium histolyticum collagenase (ChC)


J Med Chem 43: 1858-65 (2000)


BindingDB Entry DOI: 10.7270/Q2ZW1K4G
More data for this
Ligand-Target Pair
72 kDa type IV collagenase/Collagenase 3/Interstitial collagenase/Matrix metalloproteinase-9/Neutrophil collagenase


(Homo sapiens (Human))
BDBM50088075
PNG
(CHEMBL55744 | N-Hydroxy-2-[(2-nitro-benzenesulfony...)
Show SMILES ONC(=O)CN(Cc1ccc(cc1)[N+]([O-])=O)S(=O)(=O)c1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C15H14N4O8S/c20-15(16-21)10-17(9-11-5-7-12(8-6-11)18(22)23)28(26,27)14-4-2-1-3-13(14)19(24)25/h1-8,21H,9-10H2,(H,16,20)
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18n/an/an/an/an/an/an/an/a



Università degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against the Clostridium histolyticum collagenase (ChC)


J Med Chem 43: 1858-65 (2000)


BindingDB Entry DOI: 10.7270/Q2ZW1K4G
More data for this
Ligand-Target Pair
72 kDa type IV collagenase/Collagenase 3/Interstitial collagenase/Matrix metalloproteinase-9/Neutrophil collagenase


(Homo sapiens (Human))
BDBM50088107
PNG
(CHEMBL293357 | N-Hydroxy-2-[(4-nitro-benzyl)-(4-(N...)
Show SMILES ONC(=O)CN(Cc1ccc(cc1)[N+]([O-])=O)S(=O)(=O)c1ccc(NC(=O)NS(=O)(=O)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C22H20FN5O9S2/c23-16-3-9-19(10-4-16)38(34,35)26-22(30)24-17-5-11-20(12-6-17)39(36,37)27(14-21(29)25-31)13-15-1-7-18(8-2-15)28(32)33/h1-12,31H,13-14H2,(H,25,29)(H2,24,26,30)
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18n/an/an/an/an/an/an/an/a



Università degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against the Clostridium histolyticum collagenase (ChC)


J Med Chem 43: 1858-65 (2000)


BindingDB Entry DOI: 10.7270/Q2ZW1K4G
More data for this
Ligand-Target Pair
72 kDa type IV collagenase/Collagenase 3/Interstitial collagenase/Matrix metalloproteinase-9/Neutrophil collagenase


(Homo sapiens (Human))
BDBM50088126
PNG
(CHEMBL293528 | N-Hydroxy-2-[(4-nitro-benzyl)-(4-(N...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)Nc1ccc(cc1)S(=O)(=O)N(CC(=O)NO)Cc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C23H23N5O9S2/c1-16-2-10-20(11-3-16)38(34,35)26-23(30)24-18-6-12-21(13-7-18)39(36,37)27(15-22(29)25-31)14-17-4-8-19(9-5-17)28(32)33/h2-13,31H,14-15H2,1H3,(H,25,29)(H2,24,26,30)
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19n/an/an/an/an/an/an/an/a



Università degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against the Clostridium histolyticum collagenase (ChC)


J Med Chem 43: 1858-65 (2000)


BindingDB Entry DOI: 10.7270/Q2ZW1K4G
More data for this
Ligand-Target Pair
72 kDa type IV collagenase/Collagenase 3/Interstitial collagenase/Matrix metalloproteinase-9/Neutrophil collagenase


(Homo sapiens (Human))
BDBM50088082
PNG
(CHEMBL53847 | N-Hydroxy-2-[(4-nitro-benzyl)-(3-(N-...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)Nc1cccc(c1)S(=O)(=O)N(CC(=O)NO)Cc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C23H23N5O9S2/c1-16-5-11-20(12-6-16)38(34,35)26-23(30)24-18-3-2-4-21(13-18)39(36,37)27(15-22(29)25-31)14-17-7-9-19(10-8-17)28(32)33/h2-13,31H,14-15H2,1H3,(H,25,29)(H2,24,26,30)
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20n/an/an/an/an/an/an/an/a



Università degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against the Clostridium histolyticum collagenase (ChC)


J Med Chem 43: 1858-65 (2000)


BindingDB Entry DOI: 10.7270/Q2ZW1K4G
More data for this
Ligand-Target Pair
72 kDa type IV collagenase/Collagenase 3/Interstitial collagenase/Matrix metalloproteinase-9/Neutrophil collagenase


(Homo sapiens (Human))
BDBM50088109
PNG
(CHEMBL55521 | N-Hydroxy-2-[(4-nitro-benzyl)-(4-(N-...)
Show SMILES Cc1ccccc1S(=O)(=O)NC(=O)Nc1ccc(cc1)S(=O)(=O)N(CC(=O)NO)Cc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C23H23N5O9S2/c1-16-4-2-3-5-21(16)38(34,35)26-23(30)24-18-8-12-20(13-9-18)39(36,37)27(15-22(29)25-31)14-17-6-10-19(11-7-17)28(32)33/h2-13,31H,14-15H2,1H3,(H,25,29)(H2,24,26,30)
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20n/an/an/an/an/an/an/an/a



Università degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against the Clostridium histolyticum collagenase (ChC)


J Med Chem 43: 1858-65 (2000)


BindingDB Entry DOI: 10.7270/Q2ZW1K4G
More data for this
Ligand-Target Pair
72 kDa type IV collagenase/Collagenase 3/Interstitial collagenase/Matrix metalloproteinase-9/Neutrophil collagenase


(Homo sapiens (Human))
BDBM50088095
PNG
(2-(N-(4-nitrobenzyl)-4-methoxyphenylsulfonamido)-N...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(=O)NO)Cc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C16H17N3O7S/c1-26-14-6-8-15(9-7-14)27(24,25)18(11-16(20)17-21)10-12-2-4-13(5-3-12)19(22)23/h2-9,21H,10-11H2,1H3,(H,17,20)
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20n/an/an/an/an/an/an/an/a



Università degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against the Clostridium histolyticum collagenase (ChC)


J Med Chem 43: 1858-65 (2000)


BindingDB Entry DOI: 10.7270/Q2ZW1K4G
More data for this
Ligand-Target Pair
72 kDa type IV collagenase/Collagenase 3/Interstitial collagenase/Matrix metalloproteinase-9/Neutrophil collagenase


(Homo sapiens (Human))
BDBM50088112
PNG
(2-[3-(4-Fluoro-phenyl)-1-(4-nitro-benzyl)-ureido]-...)
Show SMILES ONC(=O)CN(Cc1ccc(cc1)[N+]([O-])=O)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C16H15FN4O5/c17-12-3-5-13(6-4-12)18-16(23)20(10-15(22)19-24)9-11-1-7-14(8-2-11)21(25)26/h1-8,24H,9-10H2,(H,18,23)(H,19,22)
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21n/an/an/an/an/an/an/an/a



Università degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against the Clostridium histolyticum collagenase (ChC)


J Med Chem 43: 1858-65 (2000)


BindingDB Entry DOI: 10.7270/Q2ZW1K4G
More data for this
Ligand-Target Pair
72 kDa type IV collagenase/Collagenase 3/Interstitial collagenase/Matrix metalloproteinase-9/Neutrophil collagenase


(Homo sapiens (Human))
BDBM50088083
PNG
(CHEMBL55522 | N-Hydroxy-2-[(4-nitro-benzyl)-(3-(N-...)
Show SMILES ONC(=O)CN(Cc1ccc(cc1)[N+]([O-])=O)S(=O)(=O)c1cccc(NC(=O)NS(=O)(=O)c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C22H20ClN5O9S2/c23-16-6-10-19(11-7-16)38(34,35)26-22(30)24-17-2-1-3-20(12-17)39(36,37)27(14-21(29)25-31)13-15-4-8-18(9-5-15)28(32)33/h1-12,31H,13-14H2,(H,25,29)(H2,24,26,30)
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21n/an/an/an/an/an/an/an/a



Università degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against the Clostridium histolyticum collagenase (ChC)


J Med Chem 43: 1858-65 (2000)


BindingDB Entry DOI: 10.7270/Q2ZW1K4G
More data for this
Ligand-Target Pair
72 kDa type IV collagenase/Collagenase 3/Interstitial collagenase/Matrix metalloproteinase-9/Neutrophil collagenase


(Homo sapiens (Human))
BDBM50088074
PNG
(CHEMBL301085 | N-Hydroxy-2-[(4-nitro-benzyl)-(3-(N...)
Show SMILES Cc1ccccc1S(=O)(=O)NC(=O)Nc1cccc(c1)S(=O)(=O)N(CC(=O)NO)Cc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C23H23N5O9S2/c1-16-5-2-3-8-21(16)38(34,35)26-23(30)24-18-6-4-7-20(13-18)39(36,37)27(15-22(29)25-31)14-17-9-11-19(12-10-17)28(32)33/h2-13,31H,14-15H2,1H3,(H,25,29)(H2,24,26,30)
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23n/an/an/an/an/an/an/an/a



Università degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against the Clostridium histolyticum collagenase (ChC)


J Med Chem 43: 1858-65 (2000)


BindingDB Entry DOI: 10.7270/Q2ZW1K4G
More data for this
Ligand-Target Pair
72 kDa type IV collagenase/Collagenase 3/Interstitial collagenase/Matrix metalloproteinase-9/Neutrophil collagenase


(Homo sapiens (Human))
BDBM50088103
PNG
(CHEMBL53116 | [(4-Nitro-benzyl)-(4-(N-benzenesulfo...)
Show SMILES OC(=O)CN(Cc1ccc(cc1)[N+]([O-])=O)S(=O)(=O)c1ccc(NC(=O)NS(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C22H20N4O9S2/c27-21(28)15-25(14-16-6-10-18(11-7-16)26(30)31)37(34,35)20-12-8-17(9-13-20)23-22(29)24-36(32,33)19-4-2-1-3-5-19/h1-13H,14-15H2,(H,27,28)(H2,23,24,29)
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24n/an/an/an/an/an/an/an/a



Università degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against the Clostridium histolyticum collagenase (ChC)


J Med Chem 43: 1858-65 (2000)


BindingDB Entry DOI: 10.7270/Q2ZW1K4G
More data for this
Ligand-Target Pair
72 kDa type IV collagenase/Collagenase 3/Interstitial collagenase/Matrix metalloproteinase-9/Neutrophil collagenase


(Homo sapiens (Human))
BDBM50088124
PNG
(CHEMBL299091 | N-Hydroxy-2-[(4-nitro-benzyl)-(2,4,...)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N(CC(=O)NO)Cc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C18H21N3O6S/c1-12-8-13(2)18(14(3)9-12)28(26,27)20(11-17(22)19-23)10-15-4-6-16(7-5-15)21(24)25/h4-9,23H,10-11H2,1-3H3,(H,19,22)
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24n/an/an/an/an/an/an/an/a



Università degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against the Clostridium histolyticum collagenase (ChC)


J Med Chem 43: 1858-65 (2000)


BindingDB Entry DOI: 10.7270/Q2ZW1K4G
More data for this
Ligand-Target Pair
72 kDa type IV collagenase/Collagenase 3/Interstitial collagenase/Matrix metalloproteinase-9/Neutrophil collagenase


(Homo sapiens (Human))
BDBM50088102
PNG
(CHEMBL53009 | [(4-Nitro-benzyl)-(3-(N-benzene sulf...)
Show SMILES OC(=O)CN(Cc1ccc(cc1)[N+]([O-])=O)S(=O)(=O)c1cccc(NC(=O)NS(=O)(=O)c2ccccc2)c1
Show InChI InChI=1S/C22H20N4O9S2/c27-21(28)15-25(14-16-9-11-18(12-10-16)26(30)31)37(34,35)20-8-4-5-17(13-20)23-22(29)24-36(32,33)19-6-2-1-3-7-19/h1-13H,14-15H2,(H,27,28)(H2,23,24,29)
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28n/an/an/an/an/an/an/an/a



Università degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against the Clostridium histolyticum collagenase (ChC)


J Med Chem 43: 1858-65 (2000)


BindingDB Entry DOI: 10.7270/Q2ZW1K4G
More data for this
Ligand-Target Pair
72 kDa type IV collagenase/Collagenase 3/Interstitial collagenase/Matrix metalloproteinase-9/Neutrophil collagenase


(Homo sapiens (Human))
BDBM50088131
PNG
(CHEMBL417757 | [(4-Nitro-benzyl)-(4-(N-(4-Fluoro-b...)
Show SMILES OC(=O)CN(Cc1ccc(cc1)[N+]([O-])=O)S(=O)(=O)c1ccc(NC(=O)NS(=O)(=O)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C22H19FN4O9S2/c23-16-3-9-19(10-4-16)37(33,34)25-22(30)24-17-5-11-20(12-6-17)38(35,36)26(14-21(28)29)13-15-1-7-18(8-2-15)27(31)32/h1-12H,13-14H2,(H,28,29)(H2,24,25,30)
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29n/an/an/an/an/an/an/an/a



Università degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against the Clostridium histolyticum collagenase (ChC)


J Med Chem 43: 1858-65 (2000)


BindingDB Entry DOI: 10.7270/Q2ZW1K4G
More data for this
Ligand-Target Pair
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