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Compile Data Set for Download or QSAR

Found 39 hits Enz. Inhib. hit(s) with all data for entry = 50029632   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50031783
PNG
((R)-2-(3-(benzyloxy)propyl)-N4-hydroxy-N1-((S)-1-(...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCOCc1ccccc1)CC(=O)NO
Show InChI InChI=1S/C24H31N3O5/c1-25-24(30)21(15-18-9-4-2-5-10-18)26-23(29)20(16-22(28)27-31)13-8-14-32-17-19-11-6-3-7-12-19/h2-7,9-12,20-21,31H,8,13-17H2,1H3,(H,25,30)(H,26,29)(H,27,28)/t20-,21+/m1/s1
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Article
<1n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil collagenase, matrix metalloproteinase-8


Bioorg Med Chem Lett 5: 343-348 (1995)


Article DOI: 10.1016/0960-894X(95)00032-O
BindingDB Entry DOI: 10.7270/Q2JH3M44
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50031784
PNG
((R)-N*4*-Hydroxy-N*1*-((S)-1-methylcarbamoyl-2-phe...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCOc1ccccc1)CC(=O)NO
Show InChI InChI=1S/C24H31N3O5/c1-25-24(30)21(16-18-10-4-2-5-11-18)26-23(29)19(17-22(28)27-31)12-8-9-15-32-20-13-6-3-7-14-20/h2-7,10-11,13-14,19,21,31H,8-9,12,15-17H2,1H3,(H,25,30)(H,26,29)(H,27,28)/t19-,21+/m1/s1
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<2n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil collagenase, matrix metalloproteinase-8


Bioorg Med Chem Lett 5: 343-348 (1995)


Article DOI: 10.1016/0960-894X(95)00032-O
BindingDB Entry DOI: 10.7270/Q2JH3M44
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50031772
PNG
((R)-3-((S)-1-Methylcarbamoyl-2-phenyl-ethylcarbamo...)
Show SMILES CCCNC(=O)CCC[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC
Show InChI InChI=1S/C21H32N4O5/c1-3-12-23-18(26)11-7-10-16(14-19(27)25-30)20(28)24-17(21(29)22-2)13-15-8-5-4-6-9-15/h4-6,8-9,16-17,30H,3,7,10-14H2,1-2H3,(H,22,29)(H,23,26)(H,24,28)(H,25,27)/t16-,17+/m1/s1
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2n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil collagenase, matrix metalloproteinase-8


Bioorg Med Chem Lett 5: 343-348 (1995)


Article DOI: 10.1016/0960-894X(95)00032-O
BindingDB Entry DOI: 10.7270/Q2JH3M44
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50031795
PNG
((N-(2-HYDROXAMATEMETHYLENE-4-METHYL-PENTOYL)PHENYL...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)CC(=O)NO |r|
Show InChI InChI=1S/C18H27N3O4/c1-12(2)9-14(11-16(22)21-25)17(23)20-15(18(24)19-3)10-13-7-5-4-6-8-13/h4-8,12,14-15,25H,9-11H2,1-3H3,(H,19,24)(H,20,23)(H,21,22)/t14-,15+/m1/s1
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Article
2n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration of compound against human fibroblast stromelysin (HFS) was determined


Bioorg Med Chem Lett 5: 343-348 (1995)


Article DOI: 10.1016/0960-894X(95)00032-O
BindingDB Entry DOI: 10.7270/Q2JH3M44
More data for this
Ligand-Target Pair
Neutrophil 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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<2n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil collagenase, matrix metalloproteinase-8


Bioorg Med Chem Lett 5: 343-348 (1995)


Article DOI: 10.1016/0960-894X(95)00032-O
BindingDB Entry DOI: 10.7270/Q2JH3M44
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50031788
PNG
((R)-N*4*-Hydroxy-2-(5-hydroxy-pentyl)-N*1*-((S)-1-...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCCO)CC(=O)NO
Show InChI InChI=1S/C19H29N3O5/c1-20-19(26)16(12-14-8-4-2-5-9-14)21-18(25)15(13-17(24)22-27)10-6-3-7-11-23/h2,4-5,8-9,15-16,23,27H,3,6-7,10-13H2,1H3,(H,20,26)(H,21,25)(H,22,24)/t15-,16+/m1/s1
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4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil collagenase, matrix metalloproteinase-8


Bioorg Med Chem Lett 5: 343-348 (1995)


Article DOI: 10.1016/0960-894X(95)00032-O
BindingDB Entry DOI: 10.7270/Q2JH3M44
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50031771
PNG
((R)-3-((S)-1-Methylcarbamoyl-2-phenyl-ethylcarbamo...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCC(=O)NCCc1ccccc1)CC(=O)NO
Show InChI InChI=1S/C26H34N4O5/c1-27-26(34)22(17-20-11-6-3-7-12-20)29-25(33)21(18-24(32)30-35)13-8-14-23(31)28-16-15-19-9-4-2-5-10-19/h2-7,9-12,21-22,35H,8,13-18H2,1H3,(H,27,34)(H,28,31)(H,29,33)(H,30,32)/t21-,22+/m1/s1
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6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast stromelysin, matrix metalloproteinase-3


Bioorg Med Chem Lett 5: 343-348 (1995)


Article DOI: 10.1016/0960-894X(95)00032-O
BindingDB Entry DOI: 10.7270/Q2JH3M44
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50031785
PNG
((R)-N*4*-Hydroxy-2-(4-hydroxy-butyl)-N*1*-((S)-1-m...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCO)CC(=O)NO
Show InChI InChI=1S/C18H27N3O5/c1-19-18(25)15(11-13-7-3-2-4-8-13)20-17(24)14(9-5-6-10-22)12-16(23)21-26/h2-4,7-8,14-15,22,26H,5-6,9-12H2,1H3,(H,19,25)(H,20,24)(H,21,23)/t14-,15+/m1/s1
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7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil collagenase, matrix metalloproteinase-8


Bioorg Med Chem Lett 5: 343-348 (1995)


Article DOI: 10.1016/0960-894X(95)00032-O
BindingDB Entry DOI: 10.7270/Q2JH3M44
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50031795
PNG
((N-(2-HYDROXAMATEMETHYLENE-4-METHYL-PENTOYL)PHENYL...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)CC(=O)NO |r|
Show InChI InChI=1S/C18H27N3O4/c1-12(2)9-14(11-16(22)21-25)17(23)20-15(18(24)19-3)10-13-7-5-4-6-8-13/h4-8,12,14-15,25H,9-11H2,1-3H3,(H,19,24)(H,20,23)(H,21,22)/t14-,15+/m1/s1
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Article
7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast collagenase, matrix metalloproteinase-1


Bioorg Med Chem Lett 5: 343-348 (1995)


Article DOI: 10.1016/0960-894X(95)00032-O
BindingDB Entry DOI: 10.7270/Q2JH3M44
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Interstitial collagenase


(Homo sapiens (Human))
BDBM50031784
PNG
((R)-N*4*-Hydroxy-N*1*-((S)-1-methylcarbamoyl-2-phe...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCOc1ccccc1)CC(=O)NO
Show InChI InChI=1S/C24H31N3O5/c1-25-24(30)21(16-18-10-4-2-5-11-18)26-23(29)19(17-22(28)27-31)12-8-9-15-32-20-13-6-3-7-14-20/h2-7,10-11,13-14,19,21,31H,8-9,12,15-17H2,1H3,(H,25,30)(H,26,29)(H,27,28)/t19-,21+/m1/s1
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8n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast collagenase, matrix metalloproteinase-1


Bioorg Med Chem Lett 5: 343-348 (1995)


Article DOI: 10.1016/0960-894X(95)00032-O
BindingDB Entry DOI: 10.7270/Q2JH3M44
More data for this
Ligand-Target Pair
Stromelysin-1


(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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14n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast stromelysin, matrix metalloproteinase-3


Bioorg Med Chem Lett 5: 343-348 (1995)


Article DOI: 10.1016/0960-894X(95)00032-O
BindingDB Entry DOI: 10.7270/Q2JH3M44
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50031778
PNG
((R)-2-(4-(benzyloxy)butyl)-N4-hydroxy-N1-((S)-1-(m...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCOCc1ccccc1)CC(=O)NO
Show InChI InChI=1S/C25H33N3O5/c1-26-25(31)22(16-19-10-4-2-5-11-19)27-24(30)21(17-23(29)28-32)14-8-9-15-33-18-20-12-6-3-7-13-20/h2-7,10-13,21-22,32H,8-9,14-18H2,1H3,(H,26,31)(H,27,30)(H,28,29)/t21-,22+/m1/s1
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Article
15n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast stromelysin, matrix metalloproteinase-3


Bioorg Med Chem Lett 5: 343-348 (1995)


Article DOI: 10.1016/0960-894X(95)00032-O
BindingDB Entry DOI: 10.7270/Q2JH3M44
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50031778
PNG
((R)-2-(4-(benzyloxy)butyl)-N4-hydroxy-N1-((S)-1-(m...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCOCc1ccccc1)CC(=O)NO
Show InChI InChI=1S/C25H33N3O5/c1-26-25(31)22(16-19-10-4-2-5-11-19)27-24(30)21(17-23(29)28-32)14-8-9-15-33-18-20-12-6-3-7-13-20/h2-7,10-13,21-22,32H,8-9,14-18H2,1H3,(H,26,31)(H,27,30)(H,28,29)/t21-,22+/m1/s1
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20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil collagenase, matrix metalloproteinase-8


Bioorg Med Chem Lett 5: 343-348 (1995)


Article DOI: 10.1016/0960-894X(95)00032-O
BindingDB Entry DOI: 10.7270/Q2JH3M44
More data for this
Ligand-Target Pair
Interstitial 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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26n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast collagenase, matrix metalloproteinase-1


Bioorg Med Chem Lett 5: 343-348 (1995)


Article DOI: 10.1016/0960-894X(95)00032-O
BindingDB Entry DOI: 10.7270/Q2JH3M44
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50031784
PNG
((R)-N*4*-Hydroxy-N*1*-((S)-1-methylcarbamoyl-2-phe...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCOc1ccccc1)CC(=O)NO
Show InChI InChI=1S/C24H31N3O5/c1-25-24(30)21(16-18-10-4-2-5-11-18)26-23(29)19(17-22(28)27-31)12-8-9-15-32-20-13-6-3-7-14-20/h2-7,10-11,13-14,19,21,31H,8-9,12,15-17H2,1H3,(H,25,30)(H,26,29)(H,27,28)/t19-,21+/m1/s1
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28n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast stromelysin, matrix metalloproteinase-3


Bioorg Med Chem Lett 5: 343-348 (1995)


Article DOI: 10.1016/0960-894X(95)00032-O
BindingDB Entry DOI: 10.7270/Q2JH3M44
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50031791
PNG
((R)-3-((S)-1-Methylcarbamoyl-2-phenyl-ethylcarbamo...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCC(=O)NCc1ccccc1)CC(=O)NO
Show InChI InChI=1S/C25H32N4O5/c1-26-25(33)21(15-18-9-4-2-5-10-18)28-24(32)20(16-23(31)29-34)13-8-14-22(30)27-17-19-11-6-3-7-12-19/h2-7,9-12,20-21,34H,8,13-17H2,1H3,(H,26,33)(H,27,30)(H,28,32)(H,29,31)/t20-,21+/m1/s1
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30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil collagenase, matrix metalloproteinase-8


Bioorg Med Chem Lett 5: 343-348 (1995)


Article DOI: 10.1016/0960-894X(95)00032-O
BindingDB Entry DOI: 10.7270/Q2JH3M44
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50031788
PNG
((R)-N*4*-Hydroxy-2-(5-hydroxy-pentyl)-N*1*-((S)-1-...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCCO)CC(=O)NO
Show InChI InChI=1S/C19H29N3O5/c1-20-19(26)16(12-14-8-4-2-5-9-14)21-18(25)15(13-17(24)22-27)10-6-3-7-11-23/h2,4-5,8-9,15-16,23,27H,3,6-7,10-13H2,1H3,(H,20,26)(H,21,25)(H,22,24)/t15-,16+/m1/s1
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31n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast collagenase, matrix metalloproteinase-1


Bioorg Med Chem Lett 5: 343-348 (1995)


Article DOI: 10.1016/0960-894X(95)00032-O
BindingDB Entry DOI: 10.7270/Q2JH3M44
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50031771
PNG
((R)-3-((S)-1-Methylcarbamoyl-2-phenyl-ethylcarbamo...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCC(=O)NCCc1ccccc1)CC(=O)NO
Show InChI InChI=1S/C26H34N4O5/c1-27-26(34)22(17-20-11-6-3-7-12-20)29-25(33)21(18-24(32)30-35)13-8-14-23(31)28-16-15-19-9-4-2-5-10-19/h2-7,9-12,21-22,35H,8,13-18H2,1H3,(H,27,34)(H,28,31)(H,29,33)(H,30,32)/t21-,22+/m1/s1
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32n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil collagenase, matrix metalloproteinase-8


Bioorg Med Chem Lett 5: 343-348 (1995)


Article DOI: 10.1016/0960-894X(95)00032-O
BindingDB Entry DOI: 10.7270/Q2JH3M44
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50031783
PNG
((R)-2-(3-(benzyloxy)propyl)-N4-hydroxy-N1-((S)-1-(...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCOCc1ccccc1)CC(=O)NO
Show InChI InChI=1S/C24H31N3O5/c1-25-24(30)21(15-18-9-4-2-5-10-18)26-23(29)20(16-22(28)27-31)13-8-14-32-17-19-11-6-3-7-12-19/h2-7,9-12,20-21,31H,8,13-17H2,1H3,(H,25,30)(H,26,29)(H,27,28)/t20-,21+/m1/s1
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43n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast stromelysin, matrix metalloproteinase-3


Bioorg Med Chem Lett 5: 343-348 (1995)


Article DOI: 10.1016/0960-894X(95)00032-O
BindingDB Entry DOI: 10.7270/Q2JH3M44
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50031785
PNG
((R)-N*4*-Hydroxy-2-(4-hydroxy-butyl)-N*1*-((S)-1-m...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCO)CC(=O)NO
Show InChI InChI=1S/C18H27N3O5/c1-19-18(25)15(11-13-7-3-2-4-8-13)20-17(24)14(9-5-6-10-22)12-16(23)21-26/h2-4,7-8,14-15,22,26H,5-6,9-12H2,1H3,(H,19,25)(H,20,24)(H,21,23)/t14-,15+/m1/s1
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64n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast collagenase, matrix metalloproteinase-1


Bioorg Med Chem Lett 5: 343-348 (1995)


Article DOI: 10.1016/0960-894X(95)00032-O
BindingDB Entry DOI: 10.7270/Q2JH3M44
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50031795
PNG
((N-(2-HYDROXAMATEMETHYLENE-4-METHYL-PENTOYL)PHENYL...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)CC(=O)NO |r|
Show InChI InChI=1S/C18H27N3O4/c1-12(2)9-14(11-16(22)21-25)17(23)20-15(18(24)19-3)10-13-7-5-4-6-8-13/h4-8,12,14-15,25H,9-11H2,1-3H3,(H,19,24)(H,20,23)(H,21,22)/t14-,15+/m1/s1
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79n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration of compound against human neutrophil collagenase (HNC) was determined


Bioorg Med Chem Lett 5: 343-348 (1995)


Article DOI: 10.1016/0960-894X(95)00032-O
BindingDB Entry DOI: 10.7270/Q2JH3M44
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50031791
PNG
((R)-3-((S)-1-Methylcarbamoyl-2-phenyl-ethylcarbamo...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCC(=O)NCc1ccccc1)CC(=O)NO
Show InChI InChI=1S/C25H32N4O5/c1-26-25(33)21(15-18-9-4-2-5-10-18)28-24(32)20(16-23(31)29-34)13-8-14-22(30)27-17-19-11-6-3-7-12-19/h2-7,9-12,20-21,34H,8,13-17H2,1H3,(H,26,33)(H,27,30)(H,28,32)(H,29,31)/t20-,21+/m1/s1
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92n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast stromelysin, matrix metalloprotease-3 (potent inhibitor)


Bioorg Med Chem Lett 5: 343-348 (1995)


Article DOI: 10.1016/0960-894X(95)00032-O
BindingDB Entry DOI: 10.7270/Q2JH3M44
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50031783
PNG
((R)-2-(3-(benzyloxy)propyl)-N4-hydroxy-N1-((S)-1-(...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCOCc1ccccc1)CC(=O)NO
Show InChI InChI=1S/C24H31N3O5/c1-25-24(30)21(15-18-9-4-2-5-10-18)26-23(29)20(16-22(28)27-31)13-8-14-32-17-19-11-6-3-7-12-19/h2-7,9-12,20-21,31H,8,13-17H2,1H3,(H,25,30)(H,26,29)(H,27,28)/t20-,21+/m1/s1
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<100n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast stromelysin, matrix metalloproteinase-3


Bioorg Med Chem Lett 5: 343-348 (1995)


Article DOI: 10.1016/0960-894X(95)00032-O
BindingDB Entry DOI: 10.7270/Q2JH3M44
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50031771
PNG
((R)-3-((S)-1-Methylcarbamoyl-2-phenyl-ethylcarbamo...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCC(=O)NCCc1ccccc1)CC(=O)NO
Show InChI InChI=1S/C26H34N4O5/c1-27-26(34)22(17-20-11-6-3-7-12-20)29-25(33)21(18-24(32)30-35)13-8-14-23(31)28-16-15-19-9-4-2-5-10-19/h2-7,9-12,21-22,35H,8,13-18H2,1H3,(H,27,34)(H,28,31)(H,29,33)(H,30,32)/t21-,22+/m1/s1
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<100n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast stromelysin, matrix metalloprotease-3 (potent inhibitor)


Bioorg Med Chem Lett 5: 343-348 (1995)


Article DOI: 10.1016/0960-894X(95)00032-O
BindingDB Entry DOI: 10.7270/Q2JH3M44
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50031778
PNG
((R)-2-(4-(benzyloxy)butyl)-N4-hydroxy-N1-((S)-1-(m...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCOCc1ccccc1)CC(=O)NO
Show InChI InChI=1S/C25H33N3O5/c1-26-25(31)22(16-19-10-4-2-5-11-19)27-24(30)21(17-23(29)28-32)14-8-9-15-33-18-20-12-6-3-7-13-20/h2-7,10-13,21-22,32H,8-9,14-18H2,1H3,(H,26,31)(H,27,30)(H,28,29)/t21-,22+/m1/s1
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<100n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast stromelysin, matrix metalloprotease-3 (potent inhibitor)


Bioorg Med Chem Lett 5: 343-348 (1995)


Article DOI: 10.1016/0960-894X(95)00032-O
BindingDB Entry DOI: 10.7270/Q2JH3M44
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50031784
PNG
((R)-N*4*-Hydroxy-N*1*-((S)-1-methylcarbamoyl-2-phe...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCOc1ccccc1)CC(=O)NO
Show InChI InChI=1S/C24H31N3O5/c1-25-24(30)21(16-18-10-4-2-5-11-18)26-23(29)19(17-22(28)27-31)12-8-9-15-32-20-13-6-3-7-14-20/h2-7,10-11,13-14,19,21,31H,8-9,12,15-17H2,1H3,(H,25,30)(H,26,29)(H,27,28)/t19-,21+/m1/s1
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<100n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast stromelysin, matrix metalloprotease-3 (potent inhibitor)


Bioorg Med Chem Lett 5: 343-348 (1995)


Article DOI: 10.1016/0960-894X(95)00032-O
BindingDB Entry DOI: 10.7270/Q2JH3M44
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50031791
PNG
((R)-3-((S)-1-Methylcarbamoyl-2-phenyl-ethylcarbamo...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCC(=O)NCc1ccccc1)CC(=O)NO
Show InChI InChI=1S/C25H32N4O5/c1-26-25(33)21(15-18-9-4-2-5-10-18)28-24(32)20(16-23(31)29-34)13-8-14-22(30)27-17-19-11-6-3-7-12-19/h2-7,9-12,20-21,34H,8,13-17H2,1H3,(H,26,33)(H,27,30)(H,28,32)(H,29,31)/t20-,21+/m1/s1
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<100n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast stromelysin, matrix metalloprotease-3 (potent inhibitor)


Bioorg Med Chem Lett 5: 343-348 (1995)


Article DOI: 10.1016/0960-894X(95)00032-O
BindingDB Entry DOI: 10.7270/Q2JH3M44
More data for this
Ligand-Target Pair
Stromelysin-1


(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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<100n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast stromelysin, matrix metalloprotease-3 (potent inhibitor)


Bioorg Med Chem Lett 5: 343-348 (1995)


Article DOI: 10.1016/0960-894X(95)00032-O
BindingDB Entry DOI: 10.7270/Q2JH3M44
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50031793
PNG
((R)-6-Hydroxycarbamoyl-5-((S)-1-methylcarbamoyl-2-...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCC(O)=O)CC(=O)NO
Show InChI InChI=1S/C18H25N3O6/c1-19-18(26)14(10-12-6-3-2-4-7-12)20-17(25)13(11-15(22)21-27)8-5-9-16(23)24/h2-4,6-7,13-14,27H,5,8-11H2,1H3,(H,19,26)(H,20,25)(H,21,22)(H,23,24)/t13-,14+/m1/s1
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270n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil collagenase, matrix metalloproteinase-8


Bioorg Med Chem Lett 5: 343-348 (1995)


Article DOI: 10.1016/0960-894X(95)00032-O
BindingDB Entry DOI: 10.7270/Q2JH3M44
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50031772
PNG
((R)-3-((S)-1-Methylcarbamoyl-2-phenyl-ethylcarbamo...)
Show SMILES CCCNC(=O)CCC[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC
Show InChI InChI=1S/C21H32N4O5/c1-3-12-23-18(26)11-7-10-16(14-19(27)25-30)20(28)24-17(21(29)22-2)13-15-8-5-4-6-9-15/h4-6,8-9,16-17,30H,3,7,10-14H2,1-2H3,(H,22,29)(H,23,26)(H,24,28)(H,25,27)/t16-,17+/m1/s1
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360n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast stromelysin, matrix metalloproteinase-3


Bioorg Med Chem Lett 5: 343-348 (1995)


Article DOI: 10.1016/0960-894X(95)00032-O
BindingDB Entry DOI: 10.7270/Q2JH3M44
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50031788
PNG
((R)-N*4*-Hydroxy-2-(5-hydroxy-pentyl)-N*1*-((S)-1-...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCCO)CC(=O)NO
Show InChI InChI=1S/C19H29N3O5/c1-20-19(26)16(12-14-8-4-2-5-9-14)21-18(25)15(13-17(24)22-27)10-6-3-7-11-23/h2,4-5,8-9,15-16,23,27H,3,6-7,10-13H2,1H3,(H,20,26)(H,21,25)(H,22,24)/t15-,16+/m1/s1
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430n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast stromelysin, matrix metalloproteinase-3


Bioorg Med Chem Lett 5: 343-348 (1995)


Article DOI: 10.1016/0960-894X(95)00032-O
BindingDB Entry DOI: 10.7270/Q2JH3M44
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50031771
PNG
((R)-3-((S)-1-Methylcarbamoyl-2-phenyl-ethylcarbamo...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCC(=O)NCCc1ccccc1)CC(=O)NO
Show InChI InChI=1S/C26H34N4O5/c1-27-26(34)22(17-20-11-6-3-7-12-20)29-25(33)21(18-24(32)30-35)13-8-14-23(31)28-16-15-19-9-4-2-5-10-19/h2-7,9-12,21-22,35H,8,13-18H2,1H3,(H,27,34)(H,28,31)(H,29,33)(H,30,32)/t21-,22+/m1/s1
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1.30E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast collagenase, matrix metalloproteinase-1


Bioorg Med Chem Lett 5: 343-348 (1995)


Article DOI: 10.1016/0960-894X(95)00032-O
BindingDB Entry DOI: 10.7270/Q2JH3M44
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50031778
PNG
((R)-2-(4-(benzyloxy)butyl)-N4-hydroxy-N1-((S)-1-(m...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCOCc1ccccc1)CC(=O)NO
Show InChI InChI=1S/C25H33N3O5/c1-26-25(31)22(16-19-10-4-2-5-11-19)27-24(30)21(17-23(29)28-32)14-8-9-15-33-18-20-12-6-3-7-13-20/h2-7,10-13,21-22,32H,8-9,14-18H2,1H3,(H,26,31)(H,27,30)(H,28,29)/t21-,22+/m1/s1
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1.45E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast collagenase, matrix metalloproteinase-1


Bioorg Med Chem Lett 5: 343-348 (1995)


Article DOI: 10.1016/0960-894X(95)00032-O
BindingDB Entry DOI: 10.7270/Q2JH3M44
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50031785
PNG
((R)-N*4*-Hydroxy-2-(4-hydroxy-butyl)-N*1*-((S)-1-m...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCO)CC(=O)NO
Show InChI InChI=1S/C18H27N3O5/c1-19-18(25)15(11-13-7-3-2-4-8-13)20-17(24)14(9-5-6-10-22)12-16(23)21-26/h2-4,7-8,14-15,22,26H,5-6,9-12H2,1H3,(H,19,25)(H,20,24)(H,21,23)/t14-,15+/m1/s1
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2.20E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast stromelysin, matrix metalloproteinase-3


Bioorg Med Chem Lett 5: 343-348 (1995)


Article DOI: 10.1016/0960-894X(95)00032-O
BindingDB Entry DOI: 10.7270/Q2JH3M44
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50031783
PNG
((R)-2-(3-(benzyloxy)propyl)-N4-hydroxy-N1-((S)-1-(...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCOCc1ccccc1)CC(=O)NO
Show InChI InChI=1S/C24H31N3O5/c1-25-24(30)21(15-18-9-4-2-5-10-18)26-23(29)20(16-22(28)27-31)13-8-14-32-17-19-11-6-3-7-12-19/h2-7,9-12,20-21,31H,8,13-17H2,1H3,(H,25,30)(H,26,29)(H,27,28)/t20-,21+/m1/s1
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Article
2.27E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast collagenase, matrix metalloproteinase-1


Bioorg Med Chem Lett 5: 343-348 (1995)


Article DOI: 10.1016/0960-894X(95)00032-O
BindingDB Entry DOI: 10.7270/Q2JH3M44
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50031793
PNG
((R)-6-Hydroxycarbamoyl-5-((S)-1-methylcarbamoyl-2-...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCC(O)=O)CC(=O)NO
Show InChI InChI=1S/C18H25N3O6/c1-19-18(26)14(10-12-6-3-2-4-7-12)20-17(25)13(11-15(22)21-27)8-5-9-16(23)24/h2-4,6-7,13-14,27H,5,8-11H2,1H3,(H,19,26)(H,20,25)(H,21,22)(H,23,24)/t13-,14+/m1/s1
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Article
3.35E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast collagenase, matrix metalloproteinase-1


Bioorg Med Chem Lett 5: 343-348 (1995)


Article DOI: 10.1016/0960-894X(95)00032-O
BindingDB Entry DOI: 10.7270/Q2JH3M44
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50031772
PNG
((R)-3-((S)-1-Methylcarbamoyl-2-phenyl-ethylcarbamo...)
Show SMILES CCCNC(=O)CCC[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC
Show InChI InChI=1S/C21H32N4O5/c1-3-12-23-18(26)11-7-10-16(14-19(27)25-30)20(28)24-17(21(29)22-2)13-15-8-5-4-6-9-15/h4-6,8-9,16-17,30H,3,7,10-14H2,1-2H3,(H,22,29)(H,23,26)(H,24,28)(H,25,27)/t16-,17+/m1/s1
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Article
5.10E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast collagenase, matrix metalloproteinase-1


Bioorg Med Chem Lett 5: 343-348 (1995)


Article DOI: 10.1016/0960-894X(95)00032-O
BindingDB Entry DOI: 10.7270/Q2JH3M44
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50031791
PNG
((R)-3-((S)-1-Methylcarbamoyl-2-phenyl-ethylcarbamo...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCC(=O)NCc1ccccc1)CC(=O)NO
Show InChI InChI=1S/C25H32N4O5/c1-26-25(33)21(15-18-9-4-2-5-10-18)28-24(32)20(16-23(31)29-34)13-8-14-22(30)27-17-19-11-6-3-7-12-19/h2-7,9-12,20-21,34H,8,13-17H2,1H3,(H,26,33)(H,27,30)(H,28,32)(H,29,31)/t20-,21+/m1/s1
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Article
9.60E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast collagenase, matrix metalloproteinase-1


Bioorg Med Chem Lett 5: 343-348 (1995)


Article DOI: 10.1016/0960-894X(95)00032-O
BindingDB Entry DOI: 10.7270/Q2JH3M44
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50031793
PNG
((R)-6-Hydroxycarbamoyl-5-((S)-1-methylcarbamoyl-2-...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCC(O)=O)CC(=O)NO
Show InChI InChI=1S/C18H25N3O6/c1-19-18(26)14(10-12-6-3-2-4-7-12)20-17(25)13(11-15(22)21-27)8-5-9-16(23)24/h2-4,6-7,13-14,27H,5,8-11H2,1H3,(H,19,26)(H,20,25)(H,21,22)(H,23,24)/t13-,14+/m1/s1
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Article
>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast stromelysin, matrix metalloproteinase-3


Bioorg Med Chem Lett 5: 343-348 (1995)


Article DOI: 10.1016/0960-894X(95)00032-O
BindingDB Entry DOI: 10.7270/Q2JH3M44
More data for this
Ligand-Target Pair