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Compile Data Set for Download or QSAR

Found 206 hits with Last Name = 'bellamy' and Initial = 'cl'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50290436
PNG
((R)-N*1*-((S)-2,2-Dimethyl-1-methylcarbamoyl-propy...)
Show SMILES CCCCCCCCC[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)NC)C(C)(C)C
Show InChI InChI=1S/C20H39N3O4/c1-6-7-8-9-10-11-12-13-15(14-16(24)23-27)18(25)22-17(19(26)21-5)20(2,3)4/h15,17,27H,6-14H2,1-5H3,(H,21,26)(H,22,25)(H,23,24)/t15-,17-/m1/s1
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n/an/a<0.150n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound concentration for 50% inhibition of human recombinant gelatinase A (MMP-2).


Bioorg Med Chem Lett 7: 193-198 (1997)


Article DOI: 10.1016/S0960-894X(96)00602-6
BindingDB Entry DOI: 10.7270/Q2057FXG
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50031790
PNG
((R)-N*4*-Hydroxy-N*1*-((S)-1-methylcarbamoyl-2-phe...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCCOc1ccccc1)CC(=O)NO
Show InChI InChI=1S/C25H33N3O5/c1-26-25(31)22(17-19-11-5-2-6-12-19)27-24(30)20(18-23(29)28-32)13-7-4-10-16-33-21-14-8-3-9-15-21/h2-3,5-6,8-9,11-12,14-15,20,22,32H,4,7,10,13,16-18H2,1H3,(H,26,31)(H,27,30)(H,28,29)/t20-,22+/m1/s1
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n/an/a 0.310n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound concentration for 50% inhibition of human recombinant gelatinase A (MMP-2).


Bioorg Med Chem Lett 7: 193-198 (1997)


Article DOI: 10.1016/S0960-894X(96)00602-6
BindingDB Entry DOI: 10.7270/Q2057FXG
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50290448
PNG
((R)-N*1*-((S)-2,2-Dimethyl-1-methylcarbamoyl-propy...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CCCCCCCCCCCCCCO)CC(=O)NO)C(C)(C)C
Show InChI InChI=1S/C25H49N3O5/c1-25(2,3)22(24(32)26-4)27-23(31)20(19-21(30)28-33)17-15-13-11-9-7-5-6-8-10-12-14-16-18-29/h20,22,29,33H,5-19H2,1-4H3,(H,26,32)(H,27,31)(H,28,30)/t20-,22-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Compound concentration for 50% inhibition of human recombinant gelatinase A (MMP-2).


Bioorg Med Chem Lett 7: 193-198 (1997)


Article DOI: 10.1016/S0960-894X(96)00602-6
BindingDB Entry DOI: 10.7270/Q2057FXG
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50290441
PNG
((R)-N*1*-((S)-2,2-Dimethyl-1-methylcarbamoyl-propy...)
Show SMILES CCCCCCCCCCCCCCCC[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)NC)C(C)(C)C
Show InChI InChI=1S/C27H53N3O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(21-23(31)30-34)25(32)29-24(26(33)28-5)27(2,3)4/h22,24,34H,6-21H2,1-5H3,(H,28,33)(H,29,32)(H,30,31)/t22-,24-/m1/s1
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n/an/a 0.600n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound concentration for 50% inhibition of human recombinant gelatinase A (MMP-2).


Bioorg Med Chem Lett 7: 193-198 (1997)


Article DOI: 10.1016/S0960-894X(96)00602-6
BindingDB Entry DOI: 10.7270/Q2057FXG
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50290442
PNG
((R)-N*4*-Hydroxy-N*1*-((S)-1-methylcarbamoyl-2-phe...)
Show SMILES CCCCCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC
Show InChI InChI=1S/C22H35N3O4/c1-3-4-5-6-7-11-14-18(16-20(26)25-29)21(27)24-19(22(28)23-2)15-17-12-9-8-10-13-17/h8-10,12-13,18-19,29H,3-7,11,14-16H2,1-2H3,(H,23,28)(H,24,27)(H,25,26)/t18-,19+/m1/s1
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n/an/a 0.600n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound concentration for 50% inhibition of human recombinant gelatinase A (MMP-2).


Bioorg Med Chem Lett 7: 193-198 (1997)


Article DOI: 10.1016/S0960-894X(96)00602-6
BindingDB Entry DOI: 10.7270/Q2057FXG
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50290439
PNG
((R)-N*1*-((S)-2,2-Dimethyl-1-methylcarbamoyl-propy...)
Show SMILES CCCCCCCC[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)NC)C(C)(C)C
Show InChI InChI=1S/C19H37N3O4/c1-6-7-8-9-10-11-12-14(13-15(23)22-26)17(24)21-16(18(25)20-5)19(2,3)4/h14,16,26H,6-13H2,1-5H3,(H,20,25)(H,21,24)(H,22,23)/t14-,16-/m1/s1
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n/an/a 0.700n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound concentration for 50% inhibition of human recombinant gelatinase A (MMP-2).


Bioorg Med Chem Lett 7: 193-198 (1997)


Article DOI: 10.1016/S0960-894X(96)00602-6
BindingDB Entry DOI: 10.7270/Q2057FXG
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50290449
PNG
((R)-N*1*-((S)-2,2-Dimethyl-1-methylcarbamoyl-propy...)
Show SMILES CCCCCCCCCCCCCC[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)NC)C(C)(C)C
Show InChI InChI=1S/C25H49N3O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-20(19-21(29)28-32)23(30)27-22(24(31)26-5)25(2,3)4/h20,22,32H,6-19H2,1-5H3,(H,26,31)(H,27,30)(H,28,29)/t20-,22-/m1/s1
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n/an/a 0.800n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound concentration for 50% inhibition of human recombinant gelatinase A (MMP-2).


Bioorg Med Chem Lett 7: 193-198 (1997)


Article DOI: 10.1016/S0960-894X(96)00602-6
BindingDB Entry DOI: 10.7270/Q2057FXG
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50290433
PNG
((R)-N*4*-Hydroxy-N*1*-((S)-1-methylcarbamoyl-2-phe...)
Show SMILES CCCCCCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC
Show InChI InChI=1S/C23H37N3O4/c1-3-4-5-6-7-8-12-15-19(17-21(27)26-30)22(28)25-20(23(29)24-2)16-18-13-10-9-11-14-18/h9-11,13-14,19-20,30H,3-8,12,15-17H2,1-2H3,(H,24,29)(H,25,28)(H,26,27)/t19-,20+/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Compound concentration for 50% inhibition of human recombinant gelatinase A (MMP-2).


Bioorg Med Chem Lett 7: 193-198 (1997)


Article DOI: 10.1016/S0960-894X(96)00602-6
BindingDB Entry DOI: 10.7270/Q2057FXG
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50290450
PNG
((R)-2-Dodecyl-N*4*-hydroxy-N*1*-((S)-1-methylcarba...)
Show SMILES CCCCCCCCCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC
Show InChI InChI=1S/C26H43N3O4/c1-3-4-5-6-7-8-9-10-11-15-18-22(20-24(30)29-33)25(31)28-23(26(32)27-2)19-21-16-13-12-14-17-21/h12-14,16-17,22-23,33H,3-11,15,18-20H2,1-2H3,(H,27,32)(H,28,31)(H,29,30)/t22-,23+/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Compound concentration for 50% inhibition of human recombinant gelatinase A (MMP-2).


Bioorg Med Chem Lett 7: 193-198 (1997)


Article DOI: 10.1016/S0960-894X(96)00602-6
BindingDB Entry DOI: 10.7270/Q2057FXG
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50290456
PNG
((R)-2-Heptyl-N*4*-hydroxy-N*1*-((S)-1-methylcarbam...)
Show SMILES CCCCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC
Show InChI InChI=1S/C21H33N3O4/c1-3-4-5-6-10-13-17(15-19(25)24-28)20(26)23-18(21(27)22-2)14-16-11-8-7-9-12-16/h7-9,11-12,17-18,28H,3-6,10,13-15H2,1-2H3,(H,22,27)(H,23,26)(H,24,25)/t17-,18+/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Compound concentration for 50% inhibition of human recombinant gelatinase A (MMP-2).


Bioorg Med Chem Lett 7: 193-198 (1997)


Article DOI: 10.1016/S0960-894X(96)00602-6
BindingDB Entry DOI: 10.7270/Q2057FXG
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50290436
PNG
((R)-N*1*-((S)-2,2-Dimethyl-1-methylcarbamoyl-propy...)
Show SMILES CCCCCCCCC[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)NC)C(C)(C)C
Show InChI InChI=1S/C20H39N3O4/c1-6-7-8-9-10-11-12-13-15(14-16(24)23-27)18(25)22-17(19(26)21-5)20(2,3)4/h15,17,27H,6-14H2,1-5H3,(H,21,26)(H,22,25)(H,23,24)/t15-,17-/m1/s1
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n/an/a 1.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Gelatinase B (MMP-9)


Bioorg Med Chem Lett 7: 193-198 (1997)


Article DOI: 10.1016/S0960-894X(96)00602-6
BindingDB Entry DOI: 10.7270/Q2057FXG
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50290453
PNG
((R)-2-Decyl-N*4*-hydroxy-N*1*-((S)-1-methylcarbamo...)
Show SMILES CCCCCCCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC
Show InChI InChI=1S/C24H39N3O4/c1-3-4-5-6-7-8-9-13-16-20(18-22(28)27-31)23(29)26-21(24(30)25-2)17-19-14-11-10-12-15-19/h10-12,14-15,20-21,31H,3-9,13,16-18H2,1-2H3,(H,25,30)(H,26,29)(H,27,28)/t20-,21+/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Compound concentration for 50% inhibition of human recombinant gelatinase A (MMP-2).


Bioorg Med Chem Lett 7: 193-198 (1997)


Article DOI: 10.1016/S0960-894X(96)00602-6
BindingDB Entry DOI: 10.7270/Q2057FXG
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50081851
PNG
((2R,3R)-3-(cyclopentylmethyl)-2-((1-(dimethylamino...)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)N(C)C[C@@H]([C@@H](CC1CCCC1)C(=O)N1CCCCC1)C(=O)NO
Show InChI InChI=1S/C29H42N4O5S/c1-31(2)26-15-9-14-23-22(26)13-10-16-27(23)39(37,38)32(3)20-25(28(34)30-36)24(19-21-11-5-6-12-21)29(35)33-17-7-4-8-18-33/h9-10,13-16,21,24-25,36H,4-8,11-12,17-20H2,1-3H3,(H,30,34)/t24-,25+/m1/s1
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British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of HNC MMP-8


Bioorg Med Chem Lett 9: 2887-92 (1999)


BindingDB Entry DOI: 10.7270/Q25H7FGN
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50063917
PNG
((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C |r|
Show InChI InChI=1S/C15H29N3O5/c1-8(2)7-9(10(19)13(21)18-23)12(20)17-11(14(22)16-6)15(3,4)5/h8-11,19,23H,7H2,1-6H3,(H,16,22)(H,17,20)(H,18,21)/t9-,10+,11-/m1/s1
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British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of Coll-3 MMP-13


Bioorg Med Chem Lett 9: 2887-92 (1999)


BindingDB Entry DOI: 10.7270/Q25H7FGN
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50081851
PNG
((2R,3R)-3-(cyclopentylmethyl)-2-((1-(dimethylamino...)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)N(C)C[C@@H]([C@@H](CC1CCCC1)C(=O)N1CCCCC1)C(=O)NO
Show InChI InChI=1S/C29H42N4O5S/c1-31(2)26-15-9-14-23-22(26)13-10-16-27(23)39(37,38)32(3)20-25(28(34)30-36)24(19-21-11-5-6-12-21)29(35)33-17-7-4-8-18-33/h9-10,13-16,21,24-25,36H,4-8,11-12,17-20H2,1-3H3,(H,30,34)/t24-,25+/m1/s1
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British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of HFC MMP-1


Bioorg Med Chem Lett 9: 2887-92 (1999)


BindingDB Entry DOI: 10.7270/Q25H7FGN
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50063917
PNG
((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C |r|
Show InChI InChI=1S/C15H29N3O5/c1-8(2)7-9(10(19)13(21)18-23)12(20)17-11(14(22)16-6)15(3,4)5/h8-11,19,23H,7H2,1-6H3,(H,16,22)(H,17,20)(H,18,21)/t9-,10+,11-/m1/s1
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British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of HNC MMP-8


Bioorg Med Chem Lett 9: 2887-92 (1999)


BindingDB Entry DOI: 10.7270/Q25H7FGN
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50081869
PNG
((2R,3R)-3-(cyclopentylmethyl)-N-hydroxy-2-((4-meth...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(C)C[C@@H]([C@@H](CC1CCCC1)C(=O)N1CCCCC1)C(=O)NO
Show InChI InChI=1S/C24H37N3O6S/c1-26(34(31,32)20-12-10-19(33-2)11-13-20)17-22(23(28)25-30)21(16-18-8-4-5-9-18)24(29)27-14-6-3-7-15-27/h10-13,18,21-22,30H,3-9,14-17H2,1-2H3,(H,25,28)/t21-,22+/m1/s1
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British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of HNC MMP-8


Bioorg Med Chem Lett 9: 2887-92 (1999)


BindingDB Entry DOI: 10.7270/Q25H7FGN
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50081866
PNG
((2R,3R)-3-(cyclopentylmethyl)-N-hydroxy-2-((4-meth...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(C)C[C@@H]([C@@H](CC1CCCC1)C(=O)N1CCOCC1)C(=O)NO
Show InChI InChI=1S/C23H35N3O7S/c1-25(34(30,31)19-9-7-18(32-2)8-10-19)16-21(22(27)24-29)20(15-17-5-3-4-6-17)23(28)26-11-13-33-14-12-26/h7-10,17,20-21,29H,3-6,11-16H2,1-2H3,(H,24,27)/t20-,21+/m1/s1
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n/an/a 3n/an/an/an/an/an/a



British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of HNC MMP-8


Bioorg Med Chem Lett 9: 2887-92 (1999)


BindingDB Entry DOI: 10.7270/Q25H7FGN
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50290440
PNG
((R)-N*1*-((S)-2,2-Dimethyl-1-methylcarbamoyl-propy...)
Show SMILES CCCCCCCCCCCCC[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)NC)C(C)(C)C
Show InChI InChI=1S/C24H47N3O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-19(18-20(28)27-31)22(29)26-21(23(30)25-5)24(2,3)4/h19,21,31H,6-18H2,1-5H3,(H,25,30)(H,26,29)(H,27,28)/t19-,21-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound concentration for 50% inhibition of human recombinant gelatinase A (MMP-2).


Bioorg Med Chem Lett 7: 193-198 (1997)


Article DOI: 10.1016/S0960-894X(96)00602-6
BindingDB Entry DOI: 10.7270/Q2057FXG
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50081852
PNG
((2R,3R)-3-(cyclopentylmethyl)-N-hydroxy-2-((N-meth...)
Show SMILES CN(C[C@@H]([C@@H](CC1CCCC1)C(=O)N1CCCCC1)C(=O)NO)S(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C27H37N3O5S/c1-29(36(34,35)25-15-9-13-21-12-5-6-14-22(21)25)19-24(26(31)28-33)23(18-20-10-3-4-11-20)27(32)30-16-7-2-8-17-30/h5-6,9,12-15,20,23-24,33H,2-4,7-8,10-11,16-19H2,1H3,(H,28,31)/t23-,24+/m1/s1
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n/an/a 4n/an/an/an/an/an/a



British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of HNC MMP-8


Bioorg Med Chem Lett 9: 2887-92 (1999)


BindingDB Entry DOI: 10.7270/Q25H7FGN
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50063918
PNG
((2R,3S)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-1-methyl...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO
Show InChI InChI=1S/C23H31N3O4S2/c1-15(2)12-17(18(22(28)26-30)14-32-20-10-7-11-31-20)21(27)25-19(23(29)24-3)13-16-8-5-4-6-9-16/h4-11,15,17-19,30H,12-14H2,1-3H3,(H,24,29)(H,25,27)(H,26,28)/t17-,18+,19+/m1/s1
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n/an/a 4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound concentration for 50% inhibition of human recombinant gelatinase A (MMP-2).


Bioorg Med Chem Lett 7: 193-198 (1997)


Article DOI: 10.1016/S0960-894X(96)00602-6
BindingDB Entry DOI: 10.7270/Q2057FXG
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50081859
PNG
((2R,3R)-2-((4-chloro-N-methylphenylsulfonamido)met...)
Show SMILES CN(C[C@@H]([C@@H](CC1CCCC1)C(=O)N1CCCCC1)C(=O)NO)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H34ClN3O5S/c1-26(33(31,32)19-11-9-18(24)10-12-19)16-21(22(28)25-30)20(15-17-7-3-4-8-17)23(29)27-13-5-2-6-14-27/h9-12,17,20-21,30H,2-8,13-16H2,1H3,(H,25,28)/t20-,21+/m1/s1
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n/an/a 4n/an/an/an/an/an/a



British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of HNC MMP-8


Bioorg Med Chem Lett 9: 2887-92 (1999)


BindingDB Entry DOI: 10.7270/Q25H7FGN
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50063917
PNG
((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C |r|
Show InChI InChI=1S/C15H29N3O5/c1-8(2)7-9(10(19)13(21)18-23)12(20)17-11(14(22)16-6)15(3,4)5/h8-11,19,23H,7H2,1-6H3,(H,16,22)(H,17,20)(H,18,21)/t9-,10+,11-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
50% inhibition of human recombinant fibroblast collagenase (MMP-1, HFC)


Bioorg Med Chem Lett 7: 193-198 (1997)


Article DOI: 10.1016/S0960-894X(96)00602-6
BindingDB Entry DOI: 10.7270/Q2057FXG
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50081871
PNG
((2R,3R)-3-(cyclopentylmethyl)-N-hydroxy-2-((N-meth...)
Show SMILES CC(C)S(=O)(=O)N(C)C[C@@H]([C@@H](CC1CCCC1)C(=O)N1CCCCC1)C(=O)NO
Show InChI InChI=1S/C20H37N3O5S/c1-15(2)29(27,28)22(3)14-18(19(24)21-26)17(13-16-9-5-6-10-16)20(25)23-11-7-4-8-12-23/h15-18,26H,4-14H2,1-3H3,(H,21,24)/t17-,18+/m1/s1
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n/an/a 5n/an/an/an/an/an/a



British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of HFC MMP-1


Bioorg Med Chem Lett 9: 2887-92 (1999)


BindingDB Entry DOI: 10.7270/Q25H7FGN
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50063918
PNG
((2R,3S)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-1-methyl...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO
Show InChI InChI=1S/C23H31N3O4S2/c1-15(2)12-17(18(22(28)26-30)14-32-20-10-7-11-31-20)21(27)25-19(23(29)24-3)13-16-8-5-4-6-9-16/h4-11,15,17-19,30H,12-14H2,1-3H3,(H,24,29)(H,25,27)(H,26,28)/t17-,18+,19+/m1/s1
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n/an/a 5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
50% inhibition of human recombinant fibroblast collagenase (MMP-1, HFC)


Bioorg Med Chem Lett 7: 193-198 (1997)


Article DOI: 10.1016/S0960-894X(96)00602-6
BindingDB Entry DOI: 10.7270/Q2057FXG
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50063917
PNG
((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C |r|
Show InChI InChI=1S/C15H29N3O5/c1-8(2)7-9(10(19)13(21)18-23)12(20)17-11(14(22)16-6)15(3,4)5/h8-11,19,23H,7H2,1-6H3,(H,16,22)(H,17,20)(H,18,21)/t9-,10+,11-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of HFC MMP-1


Bioorg Med Chem Lett 9: 2887-92 (1999)


BindingDB Entry DOI: 10.7270/Q25H7FGN
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50081860
PNG
((2R,3R)-3-(cyclopentylmethyl)-N-hydroxy-2-((N-meth...)
Show SMILES CN(C[C@@H]([C@@H](CC1CCCC1)C(=O)N1CCOCC1)C(=O)NO)S(C)(=O)=O
Show InChI InChI=1S/C17H31N3O6S/c1-19(27(2,24)25)12-15(16(21)18-23)14(11-13-5-3-4-6-13)17(22)20-7-9-26-10-8-20/h13-15,23H,3-12H2,1-2H3,(H,18,21)/t14-,15+/m1/s1
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n/an/a 5n/an/an/an/an/an/a



British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of HFC MMP-1


Bioorg Med Chem Lett 9: 2887-92 (1999)


BindingDB Entry DOI: 10.7270/Q25H7FGN
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50081852
PNG
((2R,3R)-3-(cyclopentylmethyl)-N-hydroxy-2-((N-meth...)
Show SMILES CN(C[C@@H]([C@@H](CC1CCCC1)C(=O)N1CCCCC1)C(=O)NO)S(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C27H37N3O5S/c1-29(36(34,35)25-15-9-13-21-12-5-6-14-22(21)25)19-24(26(31)28-33)23(18-20-10-3-4-11-20)27(32)30-16-7-2-8-17-30/h5-6,9,12-15,20,23-24,33H,2-4,7-8,10-11,16-19H2,1H3,(H,28,31)/t23-,24+/m1/s1
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n/an/a 6n/an/an/an/an/an/a



British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of HFC MMP-1


Bioorg Med Chem Lett 9: 2887-92 (1999)


BindingDB Entry DOI: 10.7270/Q25H7FGN
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50081872
PNG
((2R,3R)-3-(cyclopentylmethyl)-2-{[(dimethylsulfamo...)
Show SMILES CN(C)S(=O)(=O)N(C)C[C@@H]([C@@H](CC1CCCC1)C(=O)N1CCCCC1)C(=O)NO
Show InChI InChI=1S/C19H36N4O5S/c1-21(2)29(27,28)22(3)14-17(18(24)20-26)16(13-15-9-5-6-10-15)19(25)23-11-7-4-8-12-23/h15-17,26H,4-14H2,1-3H3,(H,20,24)/t16-,17+/m1/s1
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n/an/a 6n/an/an/an/an/an/a



British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of HFC MMP-1


Bioorg Med Chem Lett 9: 2887-92 (1999)


BindingDB Entry DOI: 10.7270/Q25H7FGN
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50081867
PNG
((2R,3R)-3-(cyclopentylmethyl)-N-hydroxy-2-((N-meth...)
Show SMILES CCS(=O)(=O)N(C)C[C@@H]([C@@H](CC1CCCC1)C(=O)N1CCCCC1)C(=O)NO
Show InChI InChI=1S/C19H35N3O5S/c1-3-28(26,27)21(2)14-17(18(23)20-25)16(13-15-9-5-6-10-15)19(24)22-11-7-4-8-12-22/h15-17,25H,3-14H2,1-2H3,(H,20,23)/t16-,17+/m1/s1
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n/an/a 6n/an/an/an/an/an/a



British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of HFC MMP-1


Bioorg Med Chem Lett 9: 2887-92 (1999)


BindingDB Entry DOI: 10.7270/Q25H7FGN
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50081865
PNG
((2R,3R)-2-((1-(dimethylamino)-N-methylnaphthalene-...)
Show SMILES CC(C)C[C@H]([C@H](CN(C)S(=O)(=O)c1cccc2c(cccc12)N(C)C)C(=O)NO)C(=O)N1CCCCC1
Show InChI InChI=1S/C27H40N4O5S/c1-19(2)17-22(27(33)31-15-7-6-8-16-31)23(26(32)28-34)18-30(5)37(35,36)25-14-10-11-20-21(25)12-9-13-24(20)29(3)4/h9-14,19,22-23,34H,6-8,15-18H2,1-5H3,(H,28,32)/t22-,23+/m1/s1
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n/an/a 6n/an/an/an/an/an/a



British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of HFC MMP-1


Bioorg Med Chem Lett 9: 2887-92 (1999)


BindingDB Entry DOI: 10.7270/Q25H7FGN
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50081864
PNG
((2R,3R)-3-(cyclopentylmethyl)-N-hydroxy-2-((N-meth...)
Show SMILES CN(C[C@@H]([C@@H](CC1CCCC1)C(=O)N1CCCCC1)C(=O)NO)S(C)(=O)=O |r|
Show InChI InChI=1S/C18H33N3O5S/c1-20(27(2,25)26)13-16(17(22)19-24)15(12-14-8-4-5-9-14)18(23)21-10-6-3-7-11-21/h14-16,24H,3-13H2,1-2H3,(H,19,22)/t15-,16+/m1/s1
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n/an/a 6n/an/an/an/an/an/a



British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of HFC MMP-1


Bioorg Med Chem Lett 9: 2887-92 (1999)


BindingDB Entry DOI: 10.7270/Q25H7FGN
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50063917
PNG
((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C |r|
Show InChI InChI=1S/C15H29N3O5/c1-8(2)7-9(10(19)13(21)18-23)12(20)17-11(14(22)16-6)15(3,4)5/h8-11,19,23H,7H2,1-6H3,(H,16,22)(H,17,20)(H,18,21)/t9-,10+,11-/m1/s1
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n/an/a 6n/an/an/an/an/an/a



British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of Gel-A MMP-2


Bioorg Med Chem Lett 9: 2887-92 (1999)


BindingDB Entry DOI: 10.7270/Q25H7FGN
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50063917
PNG
((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C |r|
Show InChI InChI=1S/C15H29N3O5/c1-8(2)7-9(10(19)13(21)18-23)12(20)17-11(14(22)16-6)15(3,4)5/h8-11,19,23H,7H2,1-6H3,(H,16,22)(H,17,20)(H,18,21)/t9-,10+,11-/m1/s1
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n/an/a 6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound concentration for 50% inhibition of human recombinant gelatinase A (MMP-2).


Bioorg Med Chem Lett 7: 193-198 (1997)


Article DOI: 10.1016/S0960-894X(96)00602-6
BindingDB Entry DOI: 10.7270/Q2057FXG
More data for this
Ligand-Target Pair
Matrilysin


(Homo sapiens (Human))
BDBM50063918
PNG
((2R,3S)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-1-methyl...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO
Show InChI InChI=1S/C23H31N3O4S2/c1-15(2)12-17(18(22(28)26-30)14-32-20-10-7-11-31-20)21(27)25-19(23(29)24-3)13-16-8-5-4-6-9-16/h4-11,15,17-19,30H,12-14H2,1-3H3,(H,24,29)(H,25,27)(H,26,28)/t17-,18+,19+/m1/s1
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n/an/a 6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
50% inhibition of human recombinant Matrilysin


Bioorg Med Chem Lett 7: 193-198 (1997)


Article DOI: 10.1016/S0960-894X(96)00602-6
BindingDB Entry DOI: 10.7270/Q2057FXG
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50081851
PNG
((2R,3R)-3-(cyclopentylmethyl)-2-((1-(dimethylamino...)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)N(C)C[C@@H]([C@@H](CC1CCCC1)C(=O)N1CCCCC1)C(=O)NO
Show InChI InChI=1S/C29H42N4O5S/c1-31(2)26-15-9-14-23-22(26)13-10-16-27(23)39(37,38)32(3)20-25(28(34)30-36)24(19-21-11-5-6-12-21)29(35)33-17-7-4-8-18-33/h9-10,13-16,21,24-25,36H,4-8,11-12,17-20H2,1-3H3,(H,30,34)/t24-,25+/m1/s1
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n/an/a 7n/an/an/an/an/an/a



British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of Strom-1 MMP-3


Bioorg Med Chem Lett 9: 2887-92 (1999)


BindingDB Entry DOI: 10.7270/Q25H7FGN
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50081851
PNG
((2R,3R)-3-(cyclopentylmethyl)-2-((1-(dimethylamino...)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)N(C)C[C@@H]([C@@H](CC1CCCC1)C(=O)N1CCCCC1)C(=O)NO
Show InChI InChI=1S/C29H42N4O5S/c1-31(2)26-15-9-14-23-22(26)13-10-16-27(23)39(37,38)32(3)20-25(28(34)30-36)24(19-21-11-5-6-12-21)29(35)33-17-7-4-8-18-33/h9-10,13-16,21,24-25,36H,4-8,11-12,17-20H2,1-3H3,(H,30,34)/t24-,25+/m1/s1
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n/an/a 8n/an/an/an/an/an/a



British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of Coll-3 MMP-13


Bioorg Med Chem Lett 9: 2887-92 (1999)


BindingDB Entry DOI: 10.7270/Q25H7FGN
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50081852
PNG
((2R,3R)-3-(cyclopentylmethyl)-N-hydroxy-2-((N-meth...)
Show SMILES CN(C[C@@H]([C@@H](CC1CCCC1)C(=O)N1CCCCC1)C(=O)NO)S(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C27H37N3O5S/c1-29(36(34,35)25-15-9-13-21-12-5-6-14-22(21)25)19-24(26(31)28-33)23(18-20-10-3-4-11-20)27(32)30-16-7-2-8-17-30/h5-6,9,12-15,20,23-24,33H,2-4,7-8,10-11,16-19H2,1H3,(H,28,31)/t23-,24+/m1/s1
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n/an/a 8n/an/an/an/an/an/a



British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of Coll-3 MMP-13


Bioorg Med Chem Lett 9: 2887-92 (1999)


BindingDB Entry DOI: 10.7270/Q25H7FGN
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50081871
PNG
((2R,3R)-3-(cyclopentylmethyl)-N-hydroxy-2-((N-meth...)
Show SMILES CC(C)S(=O)(=O)N(C)C[C@@H]([C@@H](CC1CCCC1)C(=O)N1CCCCC1)C(=O)NO
Show InChI InChI=1S/C20H37N3O5S/c1-15(2)29(27,28)22(3)14-18(19(24)21-26)17(13-16-9-5-6-10-16)20(25)23-11-7-4-8-12-23/h15-18,26H,4-14H2,1-3H3,(H,21,24)/t17-,18+/m1/s1
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n/an/a 9n/an/an/an/an/an/a



British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of HNC MMP-8


Bioorg Med Chem Lett 9: 2887-92 (1999)


BindingDB Entry DOI: 10.7270/Q25H7FGN
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50081862
PNG
((2R,3R)-3-(cyclopentylmethyl)-N-hydroxy-4-oxo-4-(p...)
Show SMILES CN(C[C@@H]([C@@H](CC1CCCC1)C(=O)N1CCCCC1)C(=O)NO)S(=O)(=O)C(F)(F)F
Show InChI InChI=1S/C18H30F3N3O5S/c1-23(30(28,29)18(19,20)21)12-15(16(25)22-27)14(11-13-7-3-4-8-13)17(26)24-9-5-2-6-10-24/h13-15,27H,2-12H2,1H3,(H,22,25)/t14-,15+/m1/s1
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n/an/a 9n/an/an/an/an/an/a



British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of HFC MMP-1


Bioorg Med Chem Lett 9: 2887-92 (1999)


BindingDB Entry DOI: 10.7270/Q25H7FGN
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50081859
PNG
((2R,3R)-2-((4-chloro-N-methylphenylsulfonamido)met...)
Show SMILES CN(C[C@@H]([C@@H](CC1CCCC1)C(=O)N1CCCCC1)C(=O)NO)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H34ClN3O5S/c1-26(33(31,32)19-11-9-18(24)10-12-19)16-21(22(28)25-30)20(15-17-7-3-4-8-17)23(29)27-13-5-2-6-14-27/h9-12,17,20-21,30H,2-8,13-16H2,1H3,(H,25,28)/t20-,21+/m1/s1
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n/an/a 9n/an/an/an/an/an/a



British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of HFC MMP-1


Bioorg Med Chem Lett 9: 2887-92 (1999)


BindingDB Entry DOI: 10.7270/Q25H7FGN
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50081866
PNG
((2R,3R)-3-(cyclopentylmethyl)-N-hydroxy-2-((4-meth...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(C)C[C@@H]([C@@H](CC1CCCC1)C(=O)N1CCOCC1)C(=O)NO
Show InChI InChI=1S/C23H35N3O7S/c1-25(34(30,31)19-9-7-18(32-2)8-10-19)16-21(22(27)24-29)20(15-17-5-3-4-6-17)23(28)26-11-13-33-14-12-26/h7-10,17,20-21,29H,3-6,11-16H2,1-2H3,(H,24,27)/t20-,21+/m1/s1
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n/an/a 10n/an/an/an/an/an/a



British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of HFC MMP-1


Bioorg Med Chem Lett 9: 2887-92 (1999)


BindingDB Entry DOI: 10.7270/Q25H7FGN
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50081869
PNG
((2R,3R)-3-(cyclopentylmethyl)-N-hydroxy-2-((4-meth...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(C)C[C@@H]([C@@H](CC1CCCC1)C(=O)N1CCCCC1)C(=O)NO
Show InChI InChI=1S/C24H37N3O6S/c1-26(34(31,32)20-12-10-19(33-2)11-13-20)17-22(23(28)25-30)21(16-18-8-4-5-9-18)24(29)27-14-6-3-7-15-27/h10-13,18,21-22,30H,3-9,14-17H2,1-2H3,(H,25,28)/t21-,22+/m1/s1
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n/an/a 10n/an/an/an/an/an/a



British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of HFC MMP-1


Bioorg Med Chem Lett 9: 2887-92 (1999)


BindingDB Entry DOI: 10.7270/Q25H7FGN
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50081872
PNG
((2R,3R)-3-(cyclopentylmethyl)-2-{[(dimethylsulfamo...)
Show SMILES CN(C)S(=O)(=O)N(C)C[C@@H]([C@@H](CC1CCCC1)C(=O)N1CCCCC1)C(=O)NO
Show InChI InChI=1S/C19H36N4O5S/c1-21(2)29(27,28)22(3)14-17(18(24)20-26)16(13-15-9-5-6-10-15)19(25)23-11-7-4-8-12-23/h15-17,26H,4-14H2,1-3H3,(H,20,24)/t16-,17+/m1/s1
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n/an/a 10n/an/an/an/an/an/a



British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of HNC MMP-8


Bioorg Med Chem Lett 9: 2887-92 (1999)


BindingDB Entry DOI: 10.7270/Q25H7FGN
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50081867
PNG
((2R,3R)-3-(cyclopentylmethyl)-N-hydroxy-2-((N-meth...)
Show SMILES CCS(=O)(=O)N(C)C[C@@H]([C@@H](CC1CCCC1)C(=O)N1CCCCC1)C(=O)NO
Show InChI InChI=1S/C19H35N3O5S/c1-3-28(26,27)21(2)14-17(18(23)20-25)16(13-15-9-5-6-10-15)19(24)22-11-7-4-8-12-22/h15-17,25H,3-14H2,1-2H3,(H,20,23)/t16-,17+/m1/s1
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n/an/a 10n/an/an/an/an/an/a



British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of HNC MMP-8


Bioorg Med Chem Lett 9: 2887-92 (1999)


BindingDB Entry DOI: 10.7270/Q25H7FGN
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50081862
PNG
((2R,3R)-3-(cyclopentylmethyl)-N-hydroxy-4-oxo-4-(p...)
Show SMILES CN(C[C@@H]([C@@H](CC1CCCC1)C(=O)N1CCCCC1)C(=O)NO)S(=O)(=O)C(F)(F)F
Show InChI InChI=1S/C18H30F3N3O5S/c1-23(30(28,29)18(19,20)21)12-15(16(25)22-27)14(11-13-7-3-4-8-13)17(26)24-9-5-2-6-10-24/h13-15,27H,2-12H2,1H3,(H,22,25)/t14-,15+/m1/s1
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n/an/a 10n/an/an/an/an/an/a



British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of HNC MMP-8


Bioorg Med Chem Lett 9: 2887-92 (1999)


BindingDB Entry DOI: 10.7270/Q25H7FGN
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50081857
PNG
((2R,3R)-3-(cyclopentylmethyl)-2-((N-cyclopropylmet...)
Show SMILES CS(=O)(=O)N(C[C@@H]([C@@H](CC1CCCC1)C(=O)N1CCCCC1)C(=O)NO)C1CC1
Show InChI InChI=1S/C20H35N3O5S/c1-29(27,28)23(16-9-10-16)14-18(19(24)21-26)17(13-15-7-3-4-8-15)20(25)22-11-5-2-6-12-22/h15-18,26H,2-14H2,1H3,(H,21,24)/t17-,18+/m1/s1
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n/an/a 10n/an/an/an/an/an/a



British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of HFC MMP-1


Bioorg Med Chem Lett 9: 2887-92 (1999)


BindingDB Entry DOI: 10.7270/Q25H7FGN
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50081859
PNG
((2R,3R)-2-((4-chloro-N-methylphenylsulfonamido)met...)
Show SMILES CN(C[C@@H]([C@@H](CC1CCCC1)C(=O)N1CCCCC1)C(=O)NO)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H34ClN3O5S/c1-26(33(31,32)19-11-9-18(24)10-12-19)16-21(22(28)25-30)20(15-17-7-3-4-8-17)23(29)27-13-5-2-6-14-27/h9-12,17,20-21,30H,2-8,13-16H2,1H3,(H,25,28)/t20-,21+/m1/s1
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n/an/a 10n/an/an/an/an/an/a



British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of Coll-3 MMP-13


Bioorg Med Chem Lett 9: 2887-92 (1999)


BindingDB Entry DOI: 10.7270/Q25H7FGN
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50290438
PNG
((R)-2-Hexyl-N*4*-hydroxy-N*1*-((S)-1-methylcarbamo...)
Show SMILES CCCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC
Show InChI InChI=1S/C20H31N3O4/c1-3-4-5-9-12-16(14-18(24)23-27)19(25)22-17(20(26)21-2)13-15-10-7-6-8-11-15/h6-8,10-11,16-17,27H,3-5,9,12-14H2,1-2H3,(H,21,26)(H,22,25)(H,23,24)/t16-,17+/m1/s1
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n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound concentration for 50% inhibition of human recombinant gelatinase A (MMP-2).


Bioorg Med Chem Lett 7: 193-198 (1997)


Article DOI: 10.1016/S0960-894X(96)00602-6
BindingDB Entry DOI: 10.7270/Q2057FXG
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50081865
PNG
((2R,3R)-2-((1-(dimethylamino)-N-methylnaphthalene-...)
Show SMILES CC(C)C[C@H]([C@H](CN(C)S(=O)(=O)c1cccc2c(cccc12)N(C)C)C(=O)NO)C(=O)N1CCCCC1
Show InChI InChI=1S/C27H40N4O5S/c1-19(2)17-22(27(33)31-15-7-6-8-16-31)23(26(32)28-34)18-30(5)37(35,36)25-14-10-11-20-21(25)12-9-13-24(20)29(3)4/h9-14,19,22-23,34H,6-8,15-18H2,1-5H3,(H,28,32)/t22-,23+/m1/s1
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British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of HNC MMP-8


Bioorg Med Chem Lett 9: 2887-92 (1999)


BindingDB Entry DOI: 10.7270/Q25H7FGN
More data for this
Ligand-Target Pair
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