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Compile Data Set for Download or QSAR

Found 214 hits of ki data for polymerid = 50000909   
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
Collagenase ColA


(Clostridium perfringens)
BDBM50100812
PNG
(2-(N-(2-nitrobenzyl)-2,3,4,5,6-pentafluorophenylsu...)
Show SMILES CC(N(Cc1ccccc1[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(6-8-4-2-3-5-9(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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5n/an/an/an/an/an/an/an/a



The University of Western Australia

Curated by ChEMBL


Assay Description
Inhibitory activity against clostridium histolyticum collagenase


J Med Chem 44: 2253-8 (2001)


BindingDB Entry DOI: 10.7270/Q2X066B7
More data for this
Ligand-Target Pair
Collagenase ColA


(Clostridium perfringens)
BDBM50100785
PNG
(CHEMBL73573 | N-Hydroxy-2-[(2-nitro-benzyl)-(3-tri...)
Show SMILES CC(N(Cc1ccccc1[N+]([O-])=O)S(=O)(=O)c1cccc(c1)C(F)(F)F)C(=O)NO
Show InChI InChI=1S/C17H16F3N3O6S/c1-11(16(24)21-25)22(10-12-5-2-3-8-15(12)23(26)27)30(28,29)14-7-4-6-13(9-14)17(18,19)20/h2-9,11,25H,10H2,1H3,(H,21,24)
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5n/an/an/an/an/an/an/an/a



The University of Western Australia

Curated by ChEMBL


Assay Description
Inhibitory activity against clostridium histolyticum collagenase


J Med Chem 44: 2253-8 (2001)


BindingDB Entry DOI: 10.7270/Q2X066B7
More data for this
Ligand-Target Pair
Collagenase ColA


(Clostridium perfringens)
BDBM50100781
PNG
(CHEMBL73260 | N-Hydroxy-2-[(naphthalene-1-sulfonyl...)
Show SMILES CC(N(Cc1ccccc1[N+]([O-])=O)S(=O)(=O)c1cccc2ccccc12)C(=O)NO
Show InChI InChI=1S/C20H19N3O6S/c1-14(20(24)21-25)22(13-16-8-3-5-11-18(16)23(26)27)30(28,29)19-12-6-9-15-7-2-4-10-17(15)19/h2-12,14,25H,13H2,1H3,(H,21,24)
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6n/an/an/an/an/an/an/an/a



The University of Western Australia

Curated by ChEMBL


Assay Description
Inhibitory activity against clostridium histolyticum collagenase


J Med Chem 44: 2253-8 (2001)


BindingDB Entry DOI: 10.7270/Q2X066B7
More data for this
Ligand-Target Pair
Collagenase ColA


(Clostridium perfringens)
BDBM50100838
PNG
(2-[({[(4-chlorophenyl)sulfonyl]amino}carbonyl)(2-n...)
Show SMILES CC(N(Cc1ccccc1[N+]([O-])=O)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NO
Show InChI InChI=1S/C17H17ClN4O7S/c1-11(16(23)19-25)21(10-12-4-2-3-5-15(12)22(26)27)17(24)20-30(28,29)14-8-6-13(18)7-9-14/h2-9,11,25H,10H2,1H3,(H,19,23)(H,20,24)
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7n/an/an/an/an/an/an/an/a



The University of Western Australia

Curated by ChEMBL


Assay Description
Inhibitory activity against clostridium histolyticum collagenase


J Med Chem 44: 2253-8 (2001)


BindingDB Entry DOI: 10.7270/Q2X066B7
More data for this
Ligand-Target Pair
Collagenase ColA


(Clostridium perfringens)
BDBM50100837
PNG
(4-[(1-Hydroxycarbamoyl-ethyl)-(2-nitro-benzyl)-sul...)
Show SMILES CC(N(Cc1ccccc1[N+]([O-])=O)S(=O)(=O)c1ccc(cc1)C(O)=O)C(=O)NO
Show InChI InChI=1S/C17H17N3O8S/c1-11(16(21)18-24)19(10-13-4-2-3-5-15(13)20(25)26)29(27,28)14-8-6-12(7-9-14)17(22)23/h2-9,11,24H,10H2,1H3,(H,18,21)(H,22,23)
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7n/an/an/an/an/an/an/an/a



The University of Western Australia

Curated by ChEMBL


Assay Description
Inhibitory activity against clostridium histolyticum collagenase


J Med Chem 44: 2253-8 (2001)


BindingDB Entry DOI: 10.7270/Q2X066B7
More data for this
Ligand-Target Pair
Collagenase ColA


(Clostridium perfringens)
BDBM50100847
PNG
(2-[3-Benzoyl-1-(2-nitro-benzyl)-thioureido]-N-hydr...)
Show SMILES CC(N(Cc1ccccc1[N+]([O-])=O)C(=S)NC(=O)c1ccccc1)C(=O)NO
Show InChI InChI=1S/C18H18N4O5S/c1-12(16(23)20-25)21(11-14-9-5-6-10-15(14)22(26)27)18(28)19-17(24)13-7-3-2-4-8-13/h2-10,12,25H,11H2,1H3,(H,20,23)(H,19,24,28)
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8n/an/an/an/an/an/an/an/a



The University of Western Australia

Curated by ChEMBL


Assay Description
Inhibitory activity against clostridium histolyticum collagenase


J Med Chem 44: 2253-8 (2001)


BindingDB Entry DOI: 10.7270/Q2X066B7
More data for this
Ligand-Target Pair
Collagenase ColA


(Clostridium perfringens)
BDBM50407194
PNG
(CHEMBL2115242)
Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN=CCP(O)(O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(O)=O |r,w:17.18|
Show InChI InChI=1S/C31H43N4O8P/c1-2-3-15-25(30(38)39)33-29(37)26-16-10-18-35(26)28(36)21-32-17-19-44(41,42)27(20-23-11-6-4-7-12-23)34-31(40)43-22-24-13-8-5-9-14-24/h4-9,11-14,17,25-27,41-42,44H,2-3,10,15-16,18-22H2,1H3,(H,33,37)(H,34,40)(H,38,39)/t25-,26-,27-/m0/s1
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8n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of bacterial collagenase from corynebacterium rathaii


J Med Chem 37: 2713-20 (1994)


BindingDB Entry DOI: 10.7270/Q20G3J7B
More data for this
Ligand-Target Pair
Collagenase ColA


(Clostridium perfringens)
BDBM50100795
PNG
(3-[(1-Hydroxycarbamoyl-ethyl)-(2-nitro-benzyl)-sul...)
Show SMILES CC(N(Cc1ccccc1[N+]([O-])=O)S(=O)(=O)c1cccc(c1)C(O)=O)C(=O)NO
Show InChI InChI=1S/C17H17N3O8S/c1-11(16(21)18-24)19(10-13-5-2-3-8-15(13)20(25)26)29(27,28)14-7-4-6-12(9-14)17(22)23/h2-9,11,24H,10H2,1H3,(H,18,21)(H,22,23)
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8n/an/an/an/an/an/an/an/a



The University of Western Australia

Curated by ChEMBL


Assay Description
Inhibitory activity against clostridium histolyticum collagenase


J Med Chem 44: 2253-8 (2001)


BindingDB Entry DOI: 10.7270/Q2X066B7
More data for this
Ligand-Target Pair
Collagenase ColA


(Clostridium perfringens)
BDBM50100796
PNG
(2-[({[(4-fluorophenyl)sulfonyl]amino}carbonyl)(2-n...)
Show SMILES CC(N(Cc1ccccc1[N+]([O-])=O)C(=O)NS(=O)(=O)c1ccc(F)cc1)C(=O)NO
Show InChI InChI=1S/C17H17FN4O7S/c1-11(16(23)19-25)21(10-12-4-2-3-5-15(12)22(26)27)17(24)20-30(28,29)14-8-6-13(18)7-9-14/h2-9,11,25H,10H2,1H3,(H,19,23)(H,20,24)
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8n/an/an/an/an/an/an/an/a



The University of Western Australia

Curated by ChEMBL


Assay Description
Inhibitory activity against clostridium histolyticum collagenase


J Med Chem 44: 2253-8 (2001)


BindingDB Entry DOI: 10.7270/Q2X066B7
More data for this
Ligand-Target Pair
Collagenase ColA


(Clostridium perfringens)
BDBM50100805
PNG
(CHEMBL73778 | {3-[(1-Hydroxycarbamoyl-ethyl)-(2-ni...)
Show SMILES CC(N(Cc1ccccc1[N+]([O-])=O)S(=O)(=O)c1cccc(NC(=O)OC(C)(C)C)c1)C(=O)NO
Show InChI InChI=1S/C21H26N4O8S/c1-14(19(26)23-28)24(13-15-8-5-6-11-18(15)25(29)30)34(31,32)17-10-7-9-16(12-17)22-20(27)33-21(2,3)4/h5-12,14,28H,13H2,1-4H3,(H,22,27)(H,23,26)
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8n/an/an/an/an/an/an/an/a



The University of Western Australia

Curated by ChEMBL


Assay Description
Inhibitory activity against clostridium histolyticum collagenase


J Med Chem 44: 2253-8 (2001)


BindingDB Entry DOI: 10.7270/Q2X066B7
More data for this
Ligand-Target Pair
Collagenase ColA


(Clostridium perfringens)
BDBM50100842
PNG
(2-[(Heptadecafluorooctane-1-sulfonyl)-(2-nitro-ben...)
Show SMILES CC(N(Cc1ccccc1[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)C(=O)NO
Show InChI InChI=1S/C18H12F17N3O6S/c1-7(10(39)36-40)37(6-8-4-2-3-5-9(8)38(41)42)45(43,44)18(34,35)16(29,30)14(25,26)12(21,22)11(19,20)13(23,24)15(27,28)17(31,32)33/h2-5,7,40H,6H2,1H3,(H,36,39)
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8n/an/an/an/an/an/an/an/a



The University of Western Australia

Curated by ChEMBL


Assay Description
Inhibitory activity against clostridium histolyticum collagenase


J Med Chem 44: 2253-8 (2001)


BindingDB Entry DOI: 10.7270/Q2X066B7
More data for this
Ligand-Target Pair
Collagenase ColA


(Clostridium perfringens)
BDBM50100783
PNG
(CHEMBL74172 | N-Hydroxy-2-[(naphthalene-2-sulfonyl...)
Show SMILES CC(N(Cc1ccccc1[N+]([O-])=O)S(=O)(=O)c1ccc2ccccc2c1)C(=O)NO
Show InChI InChI=1S/C20H19N3O6S/c1-14(20(24)21-25)22(13-17-8-4-5-9-19(17)23(26)27)30(28,29)18-11-10-15-6-2-3-7-16(15)12-18/h2-12,14,25H,13H2,1H3,(H,21,24)
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8n/an/an/an/an/an/an/an/a



The University of Western Australia

Curated by ChEMBL


Assay Description
Inhibitory activity against clostridium histolyticum collagenase


J Med Chem 44: 2253-8 (2001)


BindingDB Entry DOI: 10.7270/Q2X066B7
More data for this
Ligand-Target Pair
Collagenase ColA


(Clostridium perfringens)
BDBM50100770
PNG
(2-[(5-Dimethylamino-naphthalene-1-sulfonyl)-(2-nit...)
Show SMILES CC(N(Cc1ccccc1[N+]([O-])=O)S(=O)(=O)c1cccc2c(cccc12)N(C)C)C(=O)NO
Show InChI InChI=1S/C22H24N4O6S/c1-15(22(27)23-28)25(14-16-8-4-5-11-19(16)26(29)30)33(31,32)21-13-7-9-17-18(21)10-6-12-20(17)24(2)3/h4-13,15,28H,14H2,1-3H3,(H,23,27)
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9n/an/an/an/an/an/an/an/a



The University of Western Australia

Curated by ChEMBL


Assay Description
Inhibitory activity against clostridium histolyticum collagenase


J Med Chem 44: 2253-8 (2001)


BindingDB Entry DOI: 10.7270/Q2X066B7
More data for this
Ligand-Target Pair
Collagenase ColA


(Clostridium perfringens)
BDBM50100786
PNG
(2-[(3-Chloro-4-nitro-benzenesulfonyl)-(2-nitro-ben...)
Show SMILES CC(N(Cc1ccccc1[N+]([O-])=O)S(=O)(=O)c1ccc(c(Cl)c1)[N+]([O-])=O)C(=O)NO
Show InChI InChI=1S/C16H15ClN4O8S/c1-10(16(22)18-23)19(9-11-4-2-3-5-14(11)20(24)25)30(28,29)12-6-7-15(21(26)27)13(17)8-12/h2-8,10,23H,9H2,1H3,(H,18,22)
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9n/an/an/an/an/an/an/an/a



The University of Western Australia

Curated by ChEMBL


Assay Description
Inhibitory activity against clostridium histolyticum collagenase


J Med Chem 44: 2253-8 (2001)


BindingDB Entry DOI: 10.7270/Q2X066B7
More data for this
Ligand-Target Pair
Collagenase ColA


(Clostridium perfringens)
BDBM50100791
PNG
(CHEMBL72152 | N-hydroxy-2-[({[(2-methylphenyl)sulf...)
Show SMILES CC(N(Cc1ccccc1[N+]([O-])=O)C(=O)NS(=O)(=O)c1ccccc1C)C(=O)NO
Show InChI InChI=1S/C18H20N4O7S/c1-12-7-3-6-10-16(12)30(28,29)20-18(24)21(13(2)17(23)19-25)11-14-8-4-5-9-15(14)22(26)27/h3-10,13,25H,11H2,1-2H3,(H,19,23)(H,20,24)
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9n/an/an/an/an/an/an/an/a



The University of Western Australia

Curated by ChEMBL


Assay Description
Inhibitory activity against clostridium histolyticum collagenase


J Med Chem 44: 2253-8 (2001)


BindingDB Entry DOI: 10.7270/Q2X066B7
More data for this
Ligand-Target Pair
Collagenase ColA


(Clostridium perfringens)
BDBM50100853
PNG
(CHEMBL75940 | {4-[(1-Hydroxycarbamoyl-ethyl)-(2-ni...)
Show SMILES CC(N(Cc1ccccc1[N+]([O-])=O)S(=O)(=O)c1ccc(NC(=O)OC(C)(C)C)cc1)C(=O)NO
Show InChI InChI=1S/C21H26N4O8S/c1-14(19(26)23-28)24(13-15-7-5-6-8-18(15)25(29)30)34(31,32)17-11-9-16(10-12-17)22-20(27)33-21(2,3)4/h5-12,14,28H,13H2,1-4H3,(H,22,27)(H,23,26)
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9n/an/an/an/an/an/an/an/a



The University of Western Australia

Curated by ChEMBL


Assay Description
Inhibitory activity against clostridium histolyticum collagenase


J Med Chem 44: 2253-8 (2001)


BindingDB Entry DOI: 10.7270/Q2X066B7
More data for this
Ligand-Target Pair
Collagenase ColA


(Clostridium perfringens)
BDBM50100801
PNG
(CHEMBL73512 | {5-[(1-Hydroxycarbamoyl-ethyl)-(2-ni...)
Show SMILES COc1ccc(cc1NC(=O)OC(C)(C)C)S(=O)(=O)N(Cc1ccccc1[N+]([O-])=O)C(C)C(=O)NO
Show InChI InChI=1S/C22H28N4O9S/c1-14(20(27)24-29)25(13-15-8-6-7-9-18(15)26(30)31)36(32,33)16-10-11-19(34-5)17(12-16)23-21(28)35-22(2,3)4/h6-12,14,29H,13H2,1-5H3,(H,23,28)(H,24,27)
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9n/an/an/an/an/an/an/an/a



The University of Western Australia

Curated by ChEMBL


Assay Description
Inhibitory activity against clostridium histolyticum collagenase


J Med Chem 44: 2253-8 (2001)


BindingDB Entry DOI: 10.7270/Q2X066B7
More data for this
Ligand-Target Pair
Collagenase ColA


(Clostridium perfringens)
BDBM50100821
PNG
(CHEMBL422234 | N-Hydroxy-2-[(2-nitro-benzyl)-(quin...)
Show SMILES CC(N(Cc1ccccc1[N+]([O-])=O)S(=O)(=O)c1cccc2cccnc12)C(=O)NO
Show InChI InChI=1S/C19H18N4O6S/c1-13(19(24)21-25)22(12-15-6-2-3-9-16(15)23(26)27)30(28,29)17-10-4-7-14-8-5-11-20-18(14)17/h2-11,13,25H,12H2,1H3,(H,21,24)
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9n/an/an/an/an/an/an/an/a



The University of Western Australia

Curated by ChEMBL


Assay Description
Inhibitory activity against clostridium histolyticum collagenase


J Med Chem 44: 2253-8 (2001)


BindingDB Entry DOI: 10.7270/Q2X066B7
More data for this
Ligand-Target Pair
Collagenase ColA


(Clostridium perfringens)
BDBM50100774
PNG
(2-[(2,4-Dinitro-phenylsulfanyl)-(2-nitro-benzyl)-a...)
Show SMILES CC(N(Cc1ccccc1[N+]([O-])=O)Sc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)C(=O)NO
Show InChI InChI=1S/C16H15N5O8S/c1-10(16(22)17-23)18(9-11-4-2-3-5-13(11)20(26)27)30-15-7-6-12(19(24)25)8-14(15)21(28)29/h2-8,10,23H,9H2,1H3,(H,17,22)
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9n/an/an/an/an/an/an/an/a



The University of Western Australia

Curated by ChEMBL


Assay Description
Inhibitory activity against clostridium histolyticum collagenase


J Med Chem 44: 2253-8 (2001)


BindingDB Entry DOI: 10.7270/Q2X066B7
More data for this
Ligand-Target Pair
Collagenase ColA


(Clostridium perfringens)
BDBM50100798
PNG
(2-(N-(2-nitrobenzyl)-2,2,12,12,15,15,18,18,18-nona...)
Show SMILES CC(N(Cc1ccccc1[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(6-8-4-2-3-5-9(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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10n/an/an/an/an/an/an/an/a



The University of Western Australia

Curated by ChEMBL


Assay Description
Inhibitory activity against clostridium histolyticum collagenase


J Med Chem 44: 2253-8 (2001)


BindingDB Entry DOI: 10.7270/Q2X066B7
More data for this
Ligand-Target Pair
Collagenase ColA


(Clostridium perfringens)
BDBM50100855
PNG
(CHEMBL72471 | N-Hydroxy-2-[3-naphthalen-1-yl-1-(2-...)
Show SMILES CC(N(Cc1ccccc1[N+]([O-])=O)C(=O)Nc1cccc2ccccc12)C(=O)NO
Show InChI InChI=1S/C21H20N4O5/c1-14(20(26)23-28)24(13-16-8-3-5-12-19(16)25(29)30)21(27)22-18-11-6-9-15-7-2-4-10-17(15)18/h2-12,14,28H,13H2,1H3,(H,22,27)(H,23,26)
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10n/an/an/an/an/an/an/an/a



The University of Western Australia

Curated by ChEMBL


Assay Description
Inhibitory activity against clostridium histolyticum collagenase


J Med Chem 44: 2253-8 (2001)


BindingDB Entry DOI: 10.7270/Q2X066B7
More data for this
Ligand-Target Pair
Collagenase ColA


(Clostridium perfringens)
BDBM50100858
PNG
(CHEMBL72612 | N-hydroxy-2-[({[(2-methylphenyl)sulf...)
Show SMILES CC(N(Cc1ccccc1[N+]([O-])=O)C(=O)NS(=O)(=O)c1ccc(C)cc1)C(=O)NO
Show InChI InChI=1S/C18H20N4O7S/c1-12-7-9-15(10-8-12)30(28,29)20-18(24)21(13(2)17(23)19-25)11-14-5-3-4-6-16(14)22(26)27/h3-10,13,25H,11H2,1-2H3,(H,19,23)(H,20,24)
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10n/an/an/an/an/an/an/an/a



The University of Western Australia

Curated by ChEMBL


Assay Description
Inhibitory activity against clostridium histolyticum collagenase


J Med Chem 44: 2253-8 (2001)


BindingDB Entry DOI: 10.7270/Q2X066B7
More data for this
Ligand-Target Pair
Collagenase ColA


(Clostridium perfringens)
BDBM50100810
PNG
(CHEMBL72845 | N-Hydroxy-2-[(3-nitro-benzenesulfony...)
Show SMILES CC(N(Cc1ccccc1[N+]([O-])=O)S(=O)(=O)c1cccc(c1)[N+]([O-])=O)C(=O)NO
Show InChI InChI=1S/C16H16N4O8S/c1-11(16(21)17-22)18(10-12-5-2-3-8-15(12)20(25)26)29(27,28)14-7-4-6-13(9-14)19(23)24/h2-9,11,22H,10H2,1H3,(H,17,21)
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10n/an/an/an/an/an/an/an/a



The University of Western Australia

Curated by ChEMBL


Assay Description
Inhibitory activity against clostridium histolyticum collagenase


J Med Chem 44: 2253-8 (2001)


BindingDB Entry DOI: 10.7270/Q2X066B7
More data for this
Ligand-Target Pair
Collagenase ColA


(Clostridium perfringens)
BDBM50100823
PNG
(2-[(4-Acetyl-benzenesulfonyl)-(2-nitro-benzyl)-ami...)
Show SMILES CC(N(Cc1ccccc1[N+]([O-])=O)S(=O)(=O)c1ccc(cc1)C(C)=O)C(=O)NO
Show InChI InChI=1S/C18H19N3O7S/c1-12(18(23)19-24)20(11-15-5-3-4-6-17(15)21(25)26)29(27,28)16-9-7-14(8-10-16)13(2)22/h3-10,12,24H,11H2,1-2H3,(H,19,23)
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10n/an/an/an/an/an/an/an/a



The University of Western Australia

Curated by ChEMBL


Assay Description
Inhibitory activity against clostridium histolyticum collagenase


J Med Chem 44: 2253-8 (2001)


BindingDB Entry DOI: 10.7270/Q2X066B7
More data for this
Ligand-Target Pair
Collagenase ColA


(Clostridium perfringens)
BDBM50100834
PNG
(2-[(3,5-Dichloro-2-hydroxy-benzenesulfonyl)-(2-nit...)
Show SMILES CC(N(Cc1ccccc1[N+]([O-])=O)S(=O)(=O)c1cc(Cl)cc(Cl)c1O)C(=O)NO
Show InChI InChI=1S/C16H15Cl2N3O7S/c1-9(16(23)19-24)20(8-10-4-2-3-5-13(10)21(25)26)29(27,28)14-7-11(17)6-12(18)15(14)22/h2-7,9,22,24H,8H2,1H3,(H,19,23)
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10n/an/an/an/an/an/an/an/a



The University of Western Australia

Curated by ChEMBL


Assay Description
Inhibitory activity against clostridium histolyticum collagenase


J Med Chem 44: 2253-8 (2001)


BindingDB Entry DOI: 10.7270/Q2X066B7
More data for this
Ligand-Target Pair
Collagenase ColA


(Clostridium perfringens)
BDBM50100802
PNG
(CHEMBL423310 | N-Hydroxy-2-[(2-nitro-benzyl)-(thio...)
Show SMILES CC(N(Cc1ccccc1[N+]([O-])=O)S(=O)(=O)c1cccs1)C(=O)NO
Show InChI InChI=1S/C14H15N3O6S2/c1-10(14(18)15-19)16(25(22,23)13-7-4-8-24-13)9-11-5-2-3-6-12(11)17(20)21/h2-8,10,19H,9H2,1H3,(H,15,18)
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10n/an/an/an/an/an/an/an/a



The University of Western Australia

Curated by ChEMBL


Assay Description
Inhibitory activity against clostridium histolyticum collagenase


J Med Chem 44: 2253-8 (2001)


BindingDB Entry DOI: 10.7270/Q2X066B7
More data for this
Ligand-Target Pair
Collagenase ColA


(Clostridium perfringens)
BDBM50100782
PNG
(CHEMBL70476 | N-Hydroxy-2-[(2-nitro-benzenesulfony...)
Show SMILES CC(N(Cc1ccccc1[N+]([O-])=O)S(=O)(=O)c1ccccc1[N+]([O-])=O)C(=O)NO
Show InChI InChI=1S/C16H16N4O8S/c1-11(16(21)17-22)18(10-12-6-2-3-7-13(12)19(23)24)29(27,28)15-9-5-4-8-14(15)20(25)26/h2-9,11,22H,10H2,1H3,(H,17,21)
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11n/an/an/an/an/an/an/an/a



The University of Western Australia

Curated by ChEMBL


Assay Description
Inhibitory activity against clostridium histolyticum collagenase


J Med Chem 44: 2253-8 (2001)


BindingDB Entry DOI: 10.7270/Q2X066B7
More data for this
Ligand-Target Pair
Collagenase ColA


(Clostridium perfringens)
BDBM50100844
PNG
(2-[(4-Acetylamino-benzenesulfonyl)-(2-nitro-benzyl...)
Show SMILES CC(N(Cc1ccccc1[N+]([O-])=O)S(=O)(=O)c1ccc(NC(C)=O)cc1)C(=O)NO
Show InChI InChI=1S/C18H20N4O7S/c1-12(18(24)20-25)21(11-14-5-3-4-6-17(14)22(26)27)30(28,29)16-9-7-15(8-10-16)19-13(2)23/h3-10,12,25H,11H2,1-2H3,(H,19,23)(H,20,24)
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12n/an/an/an/an/an/an/an/a



The University of Western Australia

Curated by ChEMBL


Assay Description
Inhibitory activity against clostridium histolyticum collagenase


J Med Chem 44: 2253-8 (2001)


BindingDB Entry DOI: 10.7270/Q2X066B7
More data for this
Ligand-Target Pair
Collagenase ColA


(Clostridium perfringens)
BDBM50100836
PNG
(2-[3-(2,4-Difluoro-phenyl)-1-(2-nitro-benzyl)-urei...)
Show SMILES CC(N(Cc1ccccc1[N+]([O-])=O)C(=O)Nc1ccc(F)cc1F)C(=O)NO
Show InChI InChI=1S/C17H16F2N4O5/c1-10(16(24)21-26)22(9-11-4-2-3-5-15(11)23(27)28)17(25)20-14-7-6-12(18)8-13(14)19/h2-8,10,26H,9H2,1H3,(H,20,25)(H,21,24)
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12n/an/an/an/an/an/an/an/a



The University of Western Australia

Curated by ChEMBL


Assay Description
Inhibitory activity against clostridium histolyticum collagenase


J Med Chem 44: 2253-8 (2001)


BindingDB Entry DOI: 10.7270/Q2X066B7
More data for this
Ligand-Target Pair
Collagenase ColA


(Clostridium perfringens)
BDBM50100816
PNG
(CHEMBL74951 | N-hydroxy-2-((2-nitrobenzyl){[(pheny...)
Show SMILES CC(N(Cc1ccccc1[N+]([O-])=O)C(=O)NS(=O)(=O)c1ccccc1)C(=O)NO
Show InChI InChI=1S/C17H18N4O7S/c1-12(16(22)18-24)20(11-13-7-5-6-10-15(13)21(25)26)17(23)19-29(27,28)14-8-3-2-4-9-14/h2-10,12,24H,11H2,1H3,(H,18,22)(H,19,23)
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12n/an/an/an/an/an/an/an/a



The University of Western Australia

Curated by ChEMBL


Assay Description
Inhibitory activity against clostridium histolyticum collagenase


J Med Chem 44: 2253-8 (2001)


BindingDB Entry DOI: 10.7270/Q2X066B7
More data for this
Ligand-Target Pair
Collagenase ColA


(Clostridium perfringens)
BDBM50100797
PNG
(CHEMBL74054 | N-Hydroxy-2-[(2-nitro-benzyl)-(2-nit...)
Show SMILES CC(N(Cc1ccccc1[N+]([O-])=O)Sc1ccccc1[N+]([O-])=O)C(=O)NO
Show InChI InChI=1S/C16H16N4O6S/c1-11(16(21)17-22)18(10-12-6-2-3-7-13(12)19(23)24)27-15-9-5-4-8-14(15)20(25)26/h2-9,11,22H,10H2,1H3,(H,17,21)
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12n/an/an/an/an/an/an/an/a



The University of Western Australia

Curated by ChEMBL


Assay Description
Inhibitory activity against clostridium histolyticum collagenase


J Med Chem 44: 2253-8 (2001)


BindingDB Entry DOI: 10.7270/Q2X066B7
More data for this
Ligand-Target Pair
Collagenase ColA


(Clostridium perfringens)
BDBM50100857
PNG
(CHEMBL418895 | N-Hydroxy-2-[(2-nitro-benzyl)-(4-ni...)
Show SMILES CC(N(Cc1ccccc1[N+]([O-])=O)Sc1ccc(cc1)[N+]([O-])=O)C(=O)NO
Show InChI InChI=1S/C16H16N4O6S/c1-11(16(21)17-22)18(10-12-4-2-3-5-15(12)20(25)26)27-14-8-6-13(7-9-14)19(23)24/h2-9,11,22H,10H2,1H3,(H,17,21)
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13n/an/an/an/an/an/an/an/a



The University of Western Australia

Curated by ChEMBL


Assay Description
Inhibitory activity against clostridium histolyticum collagenase


J Med Chem 44: 2253-8 (2001)


BindingDB Entry DOI: 10.7270/Q2X066B7
More data for this
Ligand-Target Pair
Collagenase ColA


(Clostridium perfringens)
BDBM50100849
PNG
(CHEMBL306388 | N-Hydroxy-2-[(4-nitro-benzenesulfon...)
Show SMILES CC(N(Cc1ccccc1[N+]([O-])=O)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NO
Show InChI InChI=1S/C16H16N4O8S/c1-11(16(21)17-22)18(10-12-4-2-3-5-15(12)20(25)26)29(27,28)14-8-6-13(7-9-14)19(23)24/h2-9,11,22H,10H2,1H3,(H,17,21)
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13n/an/an/an/an/an/an/an/a



The University of Western Australia

Curated by ChEMBL


Assay Description
Inhibitory activity against clostridium histolyticum collagenase


J Med Chem 44: 2253-8 (2001)


BindingDB Entry DOI: 10.7270/Q2X066B7
More data for this
Ligand-Target Pair
Collagenase ColA


(Clostridium perfringens)
BDBM50100850
PNG
(2-[3-(3,4-Dichloro-phenyl)-1-(2-nitro-benzyl)-urei...)
Show SMILES CC(N(Cc1ccccc1[N+]([O-])=O)C(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)NO
Show InChI InChI=1S/C17H16Cl2N4O5/c1-10(16(24)21-26)22(9-11-4-2-3-5-15(11)23(27)28)17(25)20-12-6-7-13(18)14(19)8-12/h2-8,10,26H,9H2,1H3,(H,20,25)(H,21,24)
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14n/an/an/an/an/an/an/an/a



The University of Western Australia

Curated by ChEMBL


Assay Description
Inhibitory activity against clostridium histolyticum collagenase


J Med Chem 44: 2253-8 (2001)


BindingDB Entry DOI: 10.7270/Q2X066B7
More data for this
Ligand-Target Pair
Collagenase ColA


(Clostridium perfringens)
BDBM50100776
PNG
(2-[(2,5-Dichloro-benzenesulfonyl)-(2-nitro-benzyl)...)
Show SMILES CC(N(Cc1ccccc1[N+]([O-])=O)S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)NO
Show InChI InChI=1S/C16H15Cl2N3O6S/c1-10(16(22)19-23)20(9-11-4-2-3-5-14(11)21(24)25)28(26,27)15-8-12(17)6-7-13(15)18/h2-8,10,23H,9H2,1H3,(H,19,22)
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14n/an/an/an/an/an/an/an/a



The University of Western Australia

Curated by ChEMBL


Assay Description
Inhibitory activity against clostridium histolyticum collagenase


J Med Chem 44: 2253-8 (2001)


BindingDB Entry DOI: 10.7270/Q2X066B7
More data for this
Ligand-Target Pair
Collagenase ColA


(Clostridium perfringens)
BDBM50100817
PNG
(2-[3-(4-Fluoro-phenyl)-1-(2-nitro-benzyl)-ureido]-...)
Show SMILES CC(N(Cc1ccccc1[N+]([O-])=O)C(=O)Nc1ccc(F)cc1)C(=O)NO
Show InChI InChI=1S/C17H17FN4O5/c1-11(16(23)20-25)21(10-12-4-2-3-5-15(12)22(26)27)17(24)19-14-8-6-13(18)7-9-14/h2-9,11,25H,10H2,1H3,(H,19,24)(H,20,23)
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15n/an/an/an/an/an/an/an/a



The University of Western Australia

Curated by ChEMBL


Assay Description
Inhibitory activity against clostridium histolyticum collagenase


J Med Chem 44: 2253-8 (2001)


BindingDB Entry DOI: 10.7270/Q2X066B7
More data for this
Ligand-Target Pair
Collagenase ColA


(Clostridium perfringens)
BDBM50100784
PNG
(2-[3-(3-Chloro-phenyl)-1-(2-nitro-benzyl)-ureido]-...)
Show SMILES CC(N(Cc1ccccc1[N+]([O-])=O)C(=O)Nc1cccc(Cl)c1)C(=O)NO
Show InChI InChI=1S/C17H17ClN4O5/c1-11(16(23)20-25)21(10-12-5-2-3-8-15(12)22(26)27)17(24)19-14-7-4-6-13(18)9-14/h2-9,11,25H,10H2,1H3,(H,19,24)(H,20,23)
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17n/an/an/an/an/an/an/an/a



The University of Western Australia

Curated by ChEMBL


Assay Description
Inhibitory activity against clostridium histolyticum collagenase


J Med Chem 44: 2253-8 (2001)


BindingDB Entry DOI: 10.7270/Q2X066B7
More data for this
Ligand-Target Pair
Collagenase ColA


(Clostridium perfringens)
BDBM50100809
PNG
(2-(N-(2-nitrobenzyl)-4-methoxyphenylsulfonamido)-N...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1[N+]([O-])=O)C(C)C(=O)NO
Show InChI InChI=1S/C17H19N3O7S/c1-12(17(21)18-22)19(11-13-5-3-4-6-16(13)20(23)24)28(25,26)15-9-7-14(27-2)8-10-15/h3-10,12,22H,11H2,1-2H3,(H,18,21)
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19n/an/an/an/an/an/an/an/a



The University of Western Australia

Curated by ChEMBL


Assay Description
Inhibitory activity against clostridium histolyticum collagenase


J Med Chem 44: 2253-8 (2001)


BindingDB Entry DOI: 10.7270/Q2X066B7
More data for this
Ligand-Target Pair
Collagenase ColA


(Clostridium perfringens)
BDBM50100829
PNG
(2-[3-(4-Chloro-phenyl)-1-(2-nitro-benzyl)-ureido]-...)
Show SMILES CC(N(Cc1ccccc1[N+]([O-])=O)C(=O)Nc1ccc(Cl)cc1)C(=O)NO
Show InChI InChI=1S/C17H17ClN4O5/c1-11(16(23)20-25)21(10-12-4-2-3-5-15(12)22(26)27)17(24)19-14-8-6-13(18)7-9-14/h2-9,11,25H,10H2,1H3,(H,19,24)(H,20,23)
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19n/an/an/an/an/an/an/an/a



The University of Western Australia

Curated by ChEMBL


Assay Description
Inhibitory activity against clostridium histolyticum collagenase


J Med Chem 44: 2253-8 (2001)


BindingDB Entry DOI: 10.7270/Q2X066B7
More data for this
Ligand-Target Pair
Collagenase ColA


(Clostridium perfringens)
BDBM50100763
PNG
(CHEMBL304622 | N-Hydroxy-2-[(2-nitro-benzyl)-(2,4,...)
Show SMILES CC(N(Cc1ccccc1[N+]([O-])=O)S(=O)(=O)c1c(C)cc(C)cc1C)C(=O)NO
Show InChI InChI=1S/C19H23N3O6S/c1-12-9-13(2)18(14(3)10-12)29(27,28)21(15(4)19(23)20-24)11-16-7-5-6-8-17(16)22(25)26/h5-10,15,24H,11H2,1-4H3,(H,20,23)
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21n/an/an/an/an/an/an/an/a



The University of Western Australia

Curated by ChEMBL


Assay Description
Inhibitory activity against clostridium histolyticum collagenase


J Med Chem 44: 2253-8 (2001)


BindingDB Entry DOI: 10.7270/Q2X066B7
More data for this
Ligand-Target Pair
Collagenase ColA


(Clostridium perfringens)
BDBM50100832
PNG
(2-[(4-Fluoro-benzenesulfonyl)-(2-nitro-benzyl)-ami...)
Show SMILES CC(N(Cc1ccccc1[N+]([O-])=O)S(=O)(=O)c1ccc(F)cc1)C(=O)NO
Show InChI InChI=1S/C16H16FN3O6S/c1-11(16(21)18-22)19(10-12-4-2-3-5-15(12)20(23)24)27(25,26)14-8-6-13(17)7-9-14/h2-9,11,22H,10H2,1H3,(H,18,21)
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30n/an/an/an/an/an/an/an/a



The University of Western Australia

Curated by ChEMBL


Assay Description
Inhibitory activity against clostridium histolyticum collagenase


J Med Chem 44: 2253-8 (2001)


BindingDB Entry DOI: 10.7270/Q2X066B7
More data for this
Ligand-Target Pair
Collagenase ColA


(Clostridium perfringens)
BDBM50100768
PNG
(2-[(4-Chloro-benzenesulfonyl)-(2-nitro-benzyl)-ami...)
Show SMILES CC(N(Cc1ccccc1[N+]([O-])=O)S(=O)(=O)c1ccc(Cl)cc1)C(=O)NO
Show InChI InChI=1S/C16H16ClN3O6S/c1-11(16(21)18-22)19(10-12-4-2-3-5-15(12)20(23)24)27(25,26)14-8-6-13(17)7-9-14/h2-9,11,22H,10H2,1H3,(H,18,21)
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32n/an/an/an/an/an/an/an/a



The University of Western Australia

Curated by ChEMBL


Assay Description
Inhibitory activity against clostridium histolyticum collagenase


J Med Chem 44: 2253-8 (2001)


BindingDB Entry DOI: 10.7270/Q2X066B7
More data for this
Ligand-Target Pair
Collagenase ColA


(Clostridium perfringens)
BDBM50100793
PNG
(2-[(4-Bromo-benzenesulfonyl)-(2-nitro-benzyl)-amin...)
Show SMILES CC(N(Cc1ccccc1[N+]([O-])=O)S(=O)(=O)c1ccc(Br)cc1)C(=O)NO
Show InChI InChI=1S/C16H16BrN3O6S/c1-11(16(21)18-22)19(10-12-4-2-3-5-15(12)20(23)24)27(25,26)14-8-6-13(17)7-9-14/h2-9,11,22H,10H2,1H3,(H,18,21)
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33n/an/an/an/an/an/an/an/a



The University of Western Australia

Curated by ChEMBL


Assay Description
Inhibitory activity against clostridium histolyticum collagenase


J Med Chem 44: 2253-8 (2001)


BindingDB Entry DOI: 10.7270/Q2X066B7
More data for this
Ligand-Target Pair
Collagenase ColA


(Clostridium perfringens)
BDBM50100841
PNG
(CHEMBL308567 | N-Hydroxy-2-[(4-iodo-benzenesulfony...)
Show SMILES CC(N(Cc1ccccc1[N+]([O-])=O)S(=O)(=O)c1ccc(I)cc1)C(=O)NO
Show InChI InChI=1S/C16H16IN3O6S/c1-11(16(21)18-22)19(10-12-4-2-3-5-15(12)20(23)24)27(25,26)14-8-6-13(17)7-9-14/h2-9,11,22H,10H2,1H3,(H,18,21)
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34n/an/an/an/an/an/an/an/a



The University of Western Australia

Curated by ChEMBL


Assay Description
Inhibitory activity against clostridium histolyticum collagenase


J Med Chem 44: 2253-8 (2001)


BindingDB Entry DOI: 10.7270/Q2X066B7
More data for this
Ligand-Target Pair
Collagenase ColA


(Clostridium perfringens)
BDBM50100846
PNG
(CHEMBL309171 | N-Hydroxy-2-[(2-nitro-benzyl)-(tolu...)
Show SMILES CC(N(Cc1ccccc1[N+]([O-])=O)S(=O)(=O)c1ccc(C)cc1)C(=O)NO
Show InChI InChI=1S/C17H19N3O6S/c1-12-7-9-15(10-8-12)27(25,26)19(13(2)17(21)18-22)11-14-5-3-4-6-16(14)20(23)24/h3-10,13,22H,11H2,1-2H3,(H,18,21)
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41n/an/an/an/an/an/an/an/a



The University of Western Australia

Curated by ChEMBL


Assay Description
Inhibitory activity against clostridium histolyticum collagenase


J Med Chem 44: 2253-8 (2001)


BindingDB Entry DOI: 10.7270/Q2X066B7
More data for this
Ligand-Target Pair
Collagenase ColA


(Clostridium perfringens)
BDBM50100852
PNG
(CHEMBL72952 | N-Hydroxy-2-[(2-nitro-benzyl)-phenyl...)
Show SMILES CC(N(Cc1ccccc1[N+]([O-])=O)S(=O)(=O)Cc1ccccc1)C(=O)NO
Show InChI InChI=1S/C17H19N3O6S/c1-13(17(21)18-22)19(11-15-9-5-6-10-16(15)20(23)24)27(25,26)12-14-7-3-2-4-8-14/h2-10,13,22H,11-12H2,1H3,(H,18,21)
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55n/an/an/an/an/an/an/an/a



The University of Western Australia

Curated by ChEMBL


Assay Description
Inhibitory activity against clostridium histolyticum collagenase


J Med Chem 44: 2253-8 (2001)


BindingDB Entry DOI: 10.7270/Q2X066B7
More data for this
Ligand-Target Pair
Collagenase ColA


(Clostridium perfringens)
BDBM50100811
PNG
(2-[Benzenesulfonyl-(2-nitro-benzyl)-amino]-N-hydro...)
Show SMILES CC(N(Cc1ccccc1[N+]([O-])=O)S(=O)(=O)c1ccccc1)C(=O)NO
Show InChI InChI=1S/C16H17N3O6S/c1-12(16(20)17-21)18(26(24,25)14-8-3-2-4-9-14)11-13-7-5-6-10-15(13)19(22)23/h2-10,12,21H,11H2,1H3,(H,17,20)
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59n/an/an/an/an/an/an/an/a



The University of Western Australia

Curated by ChEMBL


Assay Description
Inhibitory activity against clostridium histolyticum collagenase


J Med Chem 44: 2253-8 (2001)


BindingDB Entry DOI: 10.7270/Q2X066B7
More data for this
Ligand-Target Pair
Collagenase ColA


(Clostridium perfringens)
BDBM50100854
PNG
(CHEMBL70591 | N-Hydroxy-2-[(2-nitro-benzyl)-trichl...)
Show SMILES CC(N(Cc1ccccc1[N+]([O-])=O)S(=O)(=O)C(Cl)(Cl)Cl)C(=O)NO
Show InChI InChI=1S/C11H12Cl3N3O6S/c1-7(10(18)15-19)16(24(22,23)11(12,13)14)6-8-4-2-3-5-9(8)17(20)21/h2-5,7,19H,6H2,1H3,(H,15,18)
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64n/an/an/an/an/an/an/an/a



The University of Western Australia

Curated by ChEMBL


Assay Description
Inhibitory activity against clostridium histolyticum collagenase


J Med Chem 44: 2253-8 (2001)


BindingDB Entry DOI: 10.7270/Q2X066B7
More data for this
Ligand-Target Pair
Collagenase ColA


(Clostridium perfringens)
BDBM50100767
PNG
(CHEMBL73183 | N-Hydroxy-2-[(2-nitro-benzyl)-triflu...)
Show SMILES CC(N(Cc1ccccc1[N+]([O-])=O)S(=O)(=O)C(F)(F)F)C(=O)NO
Show InChI InChI=1S/C11H12F3N3O6S/c1-7(10(18)15-19)16(24(22,23)11(12,13)14)6-8-4-2-3-5-9(8)17(20)21/h2-5,7,19H,6H2,1H3,(H,15,18)
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70n/an/an/an/an/an/an/an/a



The University of Western Australia

Curated by ChEMBL


Assay Description
Inhibitory activity against clostridium histolyticum collagenase


J Med Chem 44: 2253-8 (2001)


BindingDB Entry DOI: 10.7270/Q2X066B7
More data for this
Ligand-Target Pair
Collagenase ColA


(Clostridium perfringens)
BDBM50100799
PNG
(2-[[(dimethylamino)sulfonyl](2-nitrobenzyl)amino]-...)
Show SMILES CC(N(Cc1ccccc1[N+]([O-])=O)S(=O)(=O)N(C)C)C(=O)NO
Show InChI InChI=1S/C12H18N4O6S/c1-9(12(17)13-18)15(23(21,22)14(2)3)8-10-6-4-5-7-11(10)16(19)20/h4-7,9,18H,8H2,1-3H3,(H,13,17)
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79n/an/an/an/an/an/an/an/a



The University of Western Australia

Curated by ChEMBL


Assay Description
Inhibitory activity against clostridium histolyticum collagenase


J Med Chem 44: 2253-8 (2001)


BindingDB Entry DOI: 10.7270/Q2X066B7
More data for this
Ligand-Target Pair
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