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Compile Data Set for Download or QSAR

Found 39 hits with Last Name = 'bird' and Initial = 'jb'   
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
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50290670
PNG
(5-Mercapto-5-[(S)-3-methyl-1-((S)-1-methylcarbamoy...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C(S)CCCC(=O)OC
Show InChI InChI=1S/C23H35N3O5S/c1-15(2)13-17(26-23(30)19(32)11-8-12-20(27)31-4)22(29)25-18(21(28)24-3)14-16-9-6-5-7-10-16/h5-7,9-10,15,17-19,32H,8,11-14H2,1-4H3,(H,24,28)(H,25,29)(H,26,30)/t17-,18-,19?/m0/s1
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Article
n/an/a 1n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-9, MMP-9


Bioorg Med Chem Lett 7: 2765-2770 (1997)


Article DOI: 10.1016/S0960-894X(97)10069-5
BindingDB Entry DOI: 10.7270/Q29G5MTB
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50290671
PNG
((S)-4-(2,5-Dioxo-pyrrolidin-1-yl)-2-mercapto-N-[(R...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CSC)NC(=O)[C@@H](S)CCN1C(=O)CCC1=O
Show InChI InChI=1S/C22H30N4O5S2/c1-23-20(29)15(12-14-6-4-3-5-7-14)24-21(30)16(13-33-2)25-22(31)17(32)10-11-26-18(27)8-9-19(26)28/h3-7,15-17,32H,8-13H2,1-2H3,(H,23,29)(H,24,30)(H,25,31)/t15-,16-,17-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-8, MMP-8


Bioorg Med Chem Lett 7: 2765-2770 (1997)


Article DOI: 10.1016/S0960-894X(97)10069-5
BindingDB Entry DOI: 10.7270/Q29G5MTB
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50290675
PNG
(5-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-2-mercapto...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C(S)CCCN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C29H36N4O5S/c1-18(2)16-22(26(35)31-23(25(34)30-3)17-19-10-5-4-6-11-19)32-27(36)24(39)14-9-15-33-28(37)20-12-7-8-13-21(20)29(33)38/h4-8,10-13,18,22-24,39H,9,14-17H2,1-3H3,(H,30,34)(H,31,35)(H,32,36)/t22-,23-,24?/m0/s1
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n/an/a 3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-9, MMP-9


Bioorg Med Chem Lett 7: 2765-2770 (1997)


Article DOI: 10.1016/S0960-894X(97)10069-5
BindingDB Entry DOI: 10.7270/Q29G5MTB
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50290671
PNG
((S)-4-(2,5-Dioxo-pyrrolidin-1-yl)-2-mercapto-N-[(R...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CSC)NC(=O)[C@@H](S)CCN1C(=O)CCC1=O
Show InChI InChI=1S/C22H30N4O5S2/c1-23-20(29)15(12-14-6-4-3-5-7-14)24-21(30)16(13-33-2)25-22(31)17(32)10-11-26-18(27)8-9-19(26)28/h3-7,15-17,32H,8-13H2,1-2H3,(H,23,29)(H,24,30)(H,25,31)/t15-,16-,17-/m0/s1
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Article
n/an/a 5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-9, MMP-9


Bioorg Med Chem Lett 7: 2765-2770 (1997)


Article DOI: 10.1016/S0960-894X(97)10069-5
BindingDB Entry DOI: 10.7270/Q29G5MTB
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50290668
PNG
(2-Mercapto-5-methanesulfonylamino-pentanoic acid [...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C(S)CCCNS(C)(=O)=O
Show InChI InChI=1S/C22H36N4O5S2/c1-15(2)13-17(26-22(29)19(32)11-8-12-24-33(4,30)31)21(28)25-18(20(27)23-3)14-16-9-6-5-7-10-16/h5-7,9-10,15,17-19,24,32H,8,11-14H2,1-4H3,(H,23,27)(H,25,28)(H,26,29)/t17-,18-,19?/m0/s1
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n/an/a 6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-9, MMP-9


Bioorg Med Chem Lett 7: 2765-2770 (1997)


Article DOI: 10.1016/S0960-894X(97)10069-5
BindingDB Entry DOI: 10.7270/Q29G5MTB
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50290671
PNG
((S)-4-(2,5-Dioxo-pyrrolidin-1-yl)-2-mercapto-N-[(R...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CSC)NC(=O)[C@@H](S)CCN1C(=O)CCC1=O
Show InChI InChI=1S/C22H30N4O5S2/c1-23-20(29)15(12-14-6-4-3-5-7-14)24-21(30)16(13-33-2)25-22(31)17(32)10-11-26-18(27)8-9-19(26)28/h3-7,15-17,32H,8-13H2,1-2H3,(H,23,29)(H,24,30)(H,25,31)/t15-,16-,17-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-9, MMP-9


Bioorg Med Chem Lett 7: 2765-2770 (1997)


Article DOI: 10.1016/S0960-894X(97)10069-5
BindingDB Entry DOI: 10.7270/Q29G5MTB
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50290671
PNG
((S)-4-(2,5-Dioxo-pyrrolidin-1-yl)-2-mercapto-N-[(R...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CSC)NC(=O)[C@@H](S)CCN1C(=O)CCC1=O
Show InChI InChI=1S/C22H30N4O5S2/c1-23-20(29)15(12-14-6-4-3-5-7-14)24-21(30)16(13-33-2)25-22(31)17(32)10-11-26-18(27)8-9-19(26)28/h3-7,15-17,32H,8-13H2,1-2H3,(H,23,29)(H,24,30)(H,25,31)/t15-,16-,17-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-8, MMP-8


Bioorg Med Chem Lett 7: 2765-2770 (1997)


Article DOI: 10.1016/S0960-894X(97)10069-5
BindingDB Entry DOI: 10.7270/Q29G5MTB
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50290670
PNG
(5-Mercapto-5-[(S)-3-methyl-1-((S)-1-methylcarbamoy...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C(S)CCCC(=O)OC
Show InChI InChI=1S/C23H35N3O5S/c1-15(2)13-17(26-23(30)19(32)11-8-12-20(27)31-4)22(29)25-18(21(28)24-3)14-16-9-6-5-7-10-16/h5-7,9-10,15,17-19,32H,8,11-14H2,1-4H3,(H,24,28)(H,25,29)(H,26,30)/t17-,18-,19?/m0/s1
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n/an/a 14n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-8, MMP-8


Bioorg Med Chem Lett 7: 2765-2770 (1997)


Article DOI: 10.1016/S0960-894X(97)10069-5
BindingDB Entry DOI: 10.7270/Q29G5MTB
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50290667
PNG
(5-Mercapto-5-[(S)-3-methyl-1-((S)-1-methylcarbamoy...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C(S)CCCC(O)=O
Show InChI InChI=1S/C22H33N3O5S/c1-14(2)12-16(25-22(30)18(31)10-7-11-19(26)27)21(29)24-17(20(28)23-3)13-15-8-5-4-6-9-15/h4-6,8-9,14,16-18,31H,7,10-13H2,1-3H3,(H,23,28)(H,24,29)(H,25,30)(H,26,27)/t16-,17-,18?/m0/s1
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n/an/a 15n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-8, MMP-8


Bioorg Med Chem Lett 7: 2765-2770 (1997)


Article DOI: 10.1016/S0960-894X(97)10069-5
BindingDB Entry DOI: 10.7270/Q29G5MTB
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50290669
PNG
((S)-2-[4-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-2-m...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C(S)CCN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C28H34N4O5S/c1-17(2)15-21(25(34)30-22(24(33)29-3)16-18-9-5-4-6-10-18)31-26(35)23(38)13-14-32-27(36)19-11-7-8-12-20(19)28(32)37/h4-12,17,21-23,38H,13-16H2,1-3H3,(H,29,33)(H,30,34)(H,31,35)/t21-,22-,23?/m0/s1
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n/an/a 15n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-8, MMP-8


Bioorg Med Chem Lett 7: 2765-2770 (1997)


Article DOI: 10.1016/S0960-894X(97)10069-5
BindingDB Entry DOI: 10.7270/Q29G5MTB
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50290668
PNG
(2-Mercapto-5-methanesulfonylamino-pentanoic acid [...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C(S)CCCNS(C)(=O)=O
Show InChI InChI=1S/C22H36N4O5S2/c1-15(2)13-17(26-22(29)19(32)11-8-12-24-33(4,30)31)21(28)25-18(20(27)23-3)14-16-9-6-5-7-10-16/h5-7,9-10,15,17-19,24,32H,8,11-14H2,1-4H3,(H,23,27)(H,25,28)(H,26,29)/t17-,18-,19?/m0/s1
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n/an/a 19n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-8, MMP-8


Bioorg Med Chem Lett 7: 2765-2770 (1997)


Article DOI: 10.1016/S0960-894X(97)10069-5
BindingDB Entry DOI: 10.7270/Q29G5MTB
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50290678
PNG
((S)-2-(2-Mercapto-3-phenyl-propionylamino)-4-methy...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C(S)Cc1ccccc1
Show InChI InChI=1S/C25H33N3O3S/c1-17(2)14-20(28-25(31)22(32)16-19-12-8-5-9-13-19)24(30)27-21(23(29)26-3)15-18-10-6-4-7-11-18/h4-13,17,20-22,32H,14-16H2,1-3H3,(H,26,29)(H,27,30)(H,28,31)/t20-,21-,22?/m0/s1
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n/an/a 20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-8, MMP-8


Bioorg Med Chem Lett 7: 2765-2770 (1997)


Article DOI: 10.1016/S0960-894X(97)10069-5
BindingDB Entry DOI: 10.7270/Q29G5MTB
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50290675
PNG
(5-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-2-mercapto...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C(S)CCCN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C29H36N4O5S/c1-18(2)16-22(26(35)31-23(25(34)30-3)17-19-10-5-4-6-11-19)32-27(36)24(39)14-9-15-33-28(37)20-12-7-8-13-21(20)29(33)38/h4-8,10-13,18,22-24,39H,9,14-17H2,1-3H3,(H,30,34)(H,31,35)(H,32,36)/t22-,23-,24?/m0/s1
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n/an/a 25n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-8, MMP-8


Bioorg Med Chem Lett 7: 2765-2770 (1997)


Article DOI: 10.1016/S0960-894X(97)10069-5
BindingDB Entry DOI: 10.7270/Q29G5MTB
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50290673
PNG
(6-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-2-mercapto...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C(S)CCCCN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C30H38N4O5S/c1-19(2)17-23(27(36)32-24(26(35)31-3)18-20-11-5-4-6-12-20)33-28(37)25(40)15-9-10-16-34-29(38)21-13-7-8-14-22(21)30(34)39/h4-8,11-14,19,23-25,40H,9-10,15-18H2,1-3H3,(H,31,35)(H,32,36)(H,33,37)/t23-,24-,25?/m0/s1
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n/an/a 30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-9, MMP-9


Bioorg Med Chem Lett 7: 2765-2770 (1997)


Article DOI: 10.1016/S0960-894X(97)10069-5
BindingDB Entry DOI: 10.7270/Q29G5MTB
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50290677
PNG
((S)-2-(2-Mercapto-3-methyl-butyrylamino)-4-methyl-...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C(S)C(C)C
Show InChI InChI=1S/C21H33N3O3S/c1-13(2)11-16(24-21(27)18(28)14(3)4)20(26)23-17(19(25)22-5)12-15-9-7-6-8-10-15/h6-10,13-14,16-18,28H,11-12H2,1-5H3,(H,22,25)(H,23,26)(H,24,27)/t16-,17-,18?/m0/s1
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n/an/a 30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-9, MMP-9


Bioorg Med Chem Lett 7: 2765-2770 (1997)


Article DOI: 10.1016/S0960-894X(97)10069-5
BindingDB Entry DOI: 10.7270/Q29G5MTB
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50290674
PNG
((R)-4-(2,5-Dioxo-pyrrolidin-1-yl)-2-mercapto-N-[(R...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CSC)NC(=O)[C@H](S)CCN1C(=O)CCC1=O
Show InChI InChI=1S/C22H30N4O5S2/c1-23-20(29)15(12-14-6-4-3-5-7-14)24-21(30)16(13-33-2)25-22(31)17(32)10-11-26-18(27)8-9-19(26)28/h3-7,15-17,32H,8-13H2,1-2H3,(H,23,29)(H,24,30)(H,25,31)/t15-,16-,17+/m0/s1
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n/an/a 30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-9, MMP-9


Bioorg Med Chem Lett 7: 2765-2770 (1997)


Article DOI: 10.1016/S0960-894X(97)10069-5
BindingDB Entry DOI: 10.7270/Q29G5MTB
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50290674
PNG
((R)-4-(2,5-Dioxo-pyrrolidin-1-yl)-2-mercapto-N-[(R...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CSC)NC(=O)[C@H](S)CCN1C(=O)CCC1=O
Show InChI InChI=1S/C22H30N4O5S2/c1-23-20(29)15(12-14-6-4-3-5-7-14)24-21(30)16(13-33-2)25-22(31)17(32)10-11-26-18(27)8-9-19(26)28/h3-7,15-17,32H,8-13H2,1-2H3,(H,23,29)(H,24,30)(H,25,31)/t15-,16-,17+/m0/s1
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n/an/a 30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-8, MMP-8


Bioorg Med Chem Lett 7: 2765-2770 (1997)


Article DOI: 10.1016/S0960-894X(97)10069-5
BindingDB Entry DOI: 10.7270/Q29G5MTB
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50290669
PNG
((S)-2-[4-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-2-m...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C(S)CCN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C28H34N4O5S/c1-17(2)15-21(25(34)30-22(24(33)29-3)16-18-9-5-4-6-10-18)31-26(35)23(38)13-14-32-27(36)19-11-7-8-12-20(19)28(32)37/h4-12,17,21-23,38H,13-16H2,1-3H3,(H,29,33)(H,30,34)(H,31,35)/t21-,22-,23?/m0/s1
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n/an/a 31n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-9, MMP-9


Bioorg Med Chem Lett 7: 2765-2770 (1997)


Article DOI: 10.1016/S0960-894X(97)10069-5
BindingDB Entry DOI: 10.7270/Q29G5MTB
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50290667
PNG
(5-Mercapto-5-[(S)-3-methyl-1-((S)-1-methylcarbamoy...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C(S)CCCC(O)=O
Show InChI InChI=1S/C22H33N3O5S/c1-14(2)12-16(25-22(30)18(31)10-7-11-19(26)27)21(29)24-17(20(28)23-3)13-15-8-5-4-6-9-15/h4-6,8-9,14,16-18,31H,7,10-13H2,1-3H3,(H,23,28)(H,24,29)(H,25,30)(H,26,27)/t16-,17-,18?/m0/s1
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n/an/a 32n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-9, MMP-9


Bioorg Med Chem Lett 7: 2765-2770 (1997)


Article DOI: 10.1016/S0960-894X(97)10069-5
BindingDB Entry DOI: 10.7270/Q29G5MTB
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50290678
PNG
((S)-2-(2-Mercapto-3-phenyl-propionylamino)-4-methy...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C(S)Cc1ccccc1
Show InChI InChI=1S/C25H33N3O3S/c1-17(2)14-20(28-25(31)22(32)16-19-12-8-5-9-13-19)24(30)27-21(23(29)26-3)15-18-10-6-4-7-11-18/h4-13,17,20-22,32H,14-16H2,1-3H3,(H,26,29)(H,27,30)(H,28,31)/t20-,21-,22?/m0/s1
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n/an/a 40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-9, MMP-9


Bioorg Med Chem Lett 7: 2765-2770 (1997)


Article DOI: 10.1016/S0960-894X(97)10069-5
BindingDB Entry DOI: 10.7270/Q29G5MTB
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50290671
PNG
((S)-4-(2,5-Dioxo-pyrrolidin-1-yl)-2-mercapto-N-[(R...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CSC)NC(=O)[C@@H](S)CCN1C(=O)CCC1=O
Show InChI InChI=1S/C22H30N4O5S2/c1-23-20(29)15(12-14-6-4-3-5-7-14)24-21(30)16(13-33-2)25-22(31)17(32)10-11-26-18(27)8-9-19(26)28/h3-7,15-17,32H,8-13H2,1-2H3,(H,23,29)(H,24,30)(H,25,31)/t15-,16-,17-/m0/s1
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n/an/a 45n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-3, MMP-3


Bioorg Med Chem Lett 7: 2765-2770 (1997)


Article DOI: 10.1016/S0960-894X(97)10069-5
BindingDB Entry DOI: 10.7270/Q29G5MTB
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50290676
PNG
((S)-2-(2-Mercapto-4-phenyl-butyrylamino)-4-methyl-...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C(S)CCc1ccccc1
Show InChI InChI=1S/C26H35N3O3S/c1-18(2)16-21(29-26(32)23(33)15-14-19-10-6-4-7-11-19)25(31)28-22(24(30)27-3)17-20-12-8-5-9-13-20/h4-13,18,21-23,33H,14-17H2,1-3H3,(H,27,30)(H,28,31)(H,29,32)/t21-,22-,23?/m0/s1
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n/an/a 50n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-9, MMP-9


Bioorg Med Chem Lett 7: 2765-2770 (1997)


Article DOI: 10.1016/S0960-894X(97)10069-5
BindingDB Entry DOI: 10.7270/Q29G5MTB
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50290672
PNG
((S)-2-(2-Mercapto-acetylamino)-4-methyl-pentanoic ...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)CS
Show InChI InChI=1S/C18H27N3O3S/c1-12(2)9-14(20-16(22)11-25)18(24)21-15(17(23)19-3)10-13-7-5-4-6-8-13/h4-8,12,14-15,25H,9-11H2,1-3H3,(H,19,23)(H,20,22)(H,21,24)/t14-,15-/m0/s1
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n/an/a 50n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-8, MMP-8


Bioorg Med Chem Lett 7: 2765-2770 (1997)


Article DOI: 10.1016/S0960-894X(97)10069-5
BindingDB Entry DOI: 10.7270/Q29G5MTB
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50290677
PNG
((S)-2-(2-Mercapto-3-methyl-butyrylamino)-4-methyl-...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C(S)C(C)C
Show InChI InChI=1S/C21H33N3O3S/c1-13(2)11-16(24-21(27)18(28)14(3)4)20(26)23-17(19(25)22-5)12-15-9-7-6-8-10-15/h6-10,13-14,16-18,28H,11-12H2,1-5H3,(H,22,25)(H,23,26)(H,24,27)/t16-,17-,18?/m0/s1
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n/an/a 70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-8, MMP-8


Bioorg Med Chem Lett 7: 2765-2770 (1997)


Article DOI: 10.1016/S0960-894X(97)10069-5
BindingDB Entry DOI: 10.7270/Q29G5MTB
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50290676
PNG
((S)-2-(2-Mercapto-4-phenyl-butyrylamino)-4-methyl-...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C(S)CCc1ccccc1
Show InChI InChI=1S/C26H35N3O3S/c1-18(2)16-21(29-26(32)23(33)15-14-19-10-6-4-7-11-19)25(31)28-22(24(30)27-3)17-20-12-8-5-9-13-20/h4-13,18,21-23,33H,14-17H2,1-3H3,(H,27,30)(H,28,31)(H,29,32)/t21-,22-,23?/m0/s1
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n/an/a 80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-8, MMP-8


Bioorg Med Chem Lett 7: 2765-2770 (1997)


Article DOI: 10.1016/S0960-894X(97)10069-5
BindingDB Entry DOI: 10.7270/Q29G5MTB
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50290671
PNG
((S)-4-(2,5-Dioxo-pyrrolidin-1-yl)-2-mercapto-N-[(R...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CSC)NC(=O)[C@@H](S)CCN1C(=O)CCC1=O
Show InChI InChI=1S/C22H30N4O5S2/c1-23-20(29)15(12-14-6-4-3-5-7-14)24-21(30)16(13-33-2)25-22(31)17(32)10-11-26-18(27)8-9-19(26)28/h3-7,15-17,32H,8-13H2,1-2H3,(H,23,29)(H,24,30)(H,25,31)/t15-,16-,17-/m0/s1
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n/an/a 82n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-3, MMP-3


Bioorg Med Chem Lett 7: 2765-2770 (1997)


Article DOI: 10.1016/S0960-894X(97)10069-5
BindingDB Entry DOI: 10.7270/Q29G5MTB
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50290672
PNG
((S)-2-(2-Mercapto-acetylamino)-4-methyl-pentanoic ...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)CS
Show InChI InChI=1S/C18H27N3O3S/c1-12(2)9-14(20-16(22)11-25)18(24)21-15(17(23)19-3)10-13-7-5-4-6-8-13/h4-8,12,14-15,25H,9-11H2,1-3H3,(H,19,23)(H,20,22)(H,21,24)/t14-,15-/m0/s1
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n/an/a 90n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-9, MMP-9


Bioorg Med Chem Lett 7: 2765-2770 (1997)


Article DOI: 10.1016/S0960-894X(97)10069-5
BindingDB Entry DOI: 10.7270/Q29G5MTB
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50290673
PNG
(6-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-2-mercapto...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C(S)CCCCN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C30H38N4O5S/c1-19(2)17-23(27(36)32-24(26(35)31-3)18-20-11-5-4-6-12-20)33-28(37)25(40)15-9-10-16-34-29(38)21-13-7-8-14-22(21)30(34)39/h4-8,11-14,19,23-25,40H,9-10,15-18H2,1-3H3,(H,31,35)(H,32,36)(H,33,37)/t23-,24-,25?/m0/s1
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n/an/a 125n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-8, MMP-8


Bioorg Med Chem Lett 7: 2765-2770 (1997)


Article DOI: 10.1016/S0960-894X(97)10069-5
BindingDB Entry DOI: 10.7270/Q29G5MTB
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50290674
PNG
((R)-4-(2,5-Dioxo-pyrrolidin-1-yl)-2-mercapto-N-[(R...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CSC)NC(=O)[C@H](S)CCN1C(=O)CCC1=O
Show InChI InChI=1S/C22H30N4O5S2/c1-23-20(29)15(12-14-6-4-3-5-7-14)24-21(30)16(13-33-2)25-22(31)17(32)10-11-26-18(27)8-9-19(26)28/h3-7,15-17,32H,8-13H2,1-2H3,(H,23,29)(H,24,30)(H,25,31)/t15-,16-,17+/m0/s1
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n/an/a 270n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-3, MMP-3


Bioorg Med Chem Lett 7: 2765-2770 (1997)


Article DOI: 10.1016/S0960-894X(97)10069-5
BindingDB Entry DOI: 10.7270/Q29G5MTB
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50290670
PNG
(5-Mercapto-5-[(S)-3-methyl-1-((S)-1-methylcarbamoy...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C(S)CCCC(=O)OC
Show InChI InChI=1S/C23H35N3O5S/c1-15(2)13-17(26-23(30)19(32)11-8-12-20(27)31-4)22(29)25-18(21(28)24-3)14-16-9-6-5-7-10-16/h5-7,9-10,15,17-19,32H,8,11-14H2,1-4H3,(H,24,28)(H,25,29)(H,26,30)/t17-,18-,19?/m0/s1
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n/an/a 490n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-3, MMP-3


Bioorg Med Chem Lett 7: 2765-2770 (1997)


Article DOI: 10.1016/S0960-894X(97)10069-5
BindingDB Entry DOI: 10.7270/Q29G5MTB
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50290673
PNG
(6-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-2-mercapto...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C(S)CCCCN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C30H38N4O5S/c1-19(2)17-23(27(36)32-24(26(35)31-3)18-20-11-5-4-6-12-20)33-28(37)25(40)15-9-10-16-34-29(38)21-13-7-8-14-22(21)30(34)39/h4-8,11-14,19,23-25,40H,9-10,15-18H2,1-3H3,(H,31,35)(H,32,36)(H,33,37)/t23-,24-,25?/m0/s1
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n/an/a 500n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-3, MMP-3


Bioorg Med Chem Lett 7: 2765-2770 (1997)


Article DOI: 10.1016/S0960-894X(97)10069-5
BindingDB Entry DOI: 10.7270/Q29G5MTB
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50290675
PNG
(5-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-2-mercapto...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C(S)CCCN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C29H36N4O5S/c1-18(2)16-22(26(35)31-23(25(34)30-3)17-19-10-5-4-6-11-19)32-27(36)24(39)14-9-15-33-28(37)20-12-7-8-13-21(20)29(33)38/h4-8,10-13,18,22-24,39H,9,14-17H2,1-3H3,(H,30,34)(H,31,35)(H,32,36)/t22-,23-,24?/m0/s1
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n/an/a 550n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-3, MMP-3


Bioorg Med Chem Lett 7: 2765-2770 (1997)


Article DOI: 10.1016/S0960-894X(97)10069-5
BindingDB Entry DOI: 10.7270/Q29G5MTB
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50290668
PNG
(2-Mercapto-5-methanesulfonylamino-pentanoic acid [...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C(S)CCCNS(C)(=O)=O
Show InChI InChI=1S/C22H36N4O5S2/c1-15(2)13-17(26-22(29)19(32)11-8-12-24-33(4,30)31)21(28)25-18(20(27)23-3)14-16-9-6-5-7-10-16/h5-7,9-10,15,17-19,24,32H,8,11-14H2,1-4H3,(H,23,27)(H,25,28)(H,26,29)/t17-,18-,19?/m0/s1
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n/an/a 550n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-3, MMP-3


Bioorg Med Chem Lett 7: 2765-2770 (1997)


Article DOI: 10.1016/S0960-894X(97)10069-5
BindingDB Entry DOI: 10.7270/Q29G5MTB
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50290669
PNG
((S)-2-[4-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-2-m...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C(S)CCN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C28H34N4O5S/c1-17(2)15-21(25(34)30-22(24(33)29-3)16-18-9-5-4-6-10-18)31-26(35)23(38)13-14-32-27(36)19-11-7-8-12-20(19)28(32)37/h4-12,17,21-23,38H,13-16H2,1-3H3,(H,29,33)(H,30,34)(H,31,35)/t21-,22-,23?/m0/s1
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Article
n/an/a 860n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-3, MMP-3


Bioorg Med Chem Lett 7: 2765-2770 (1997)


Article DOI: 10.1016/S0960-894X(97)10069-5
BindingDB Entry DOI: 10.7270/Q29G5MTB
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50290678
PNG
((S)-2-(2-Mercapto-3-phenyl-propionylamino)-4-methy...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C(S)Cc1ccccc1
Show InChI InChI=1S/C25H33N3O3S/c1-17(2)14-20(28-25(31)22(32)16-19-12-8-5-9-13-19)24(30)27-21(23(29)26-3)15-18-10-6-4-7-11-18/h4-13,17,20-22,32H,14-16H2,1-3H3,(H,26,29)(H,27,30)(H,28,31)/t20-,21-,22?/m0/s1
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Article
n/an/a 970n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-3, MMP-3


Bioorg Med Chem Lett 7: 2765-2770 (1997)


Article DOI: 10.1016/S0960-894X(97)10069-5
BindingDB Entry DOI: 10.7270/Q29G5MTB
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50290677
PNG
((S)-2-(2-Mercapto-3-methyl-butyrylamino)-4-methyl-...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C(S)C(C)C
Show InChI InChI=1S/C21H33N3O3S/c1-13(2)11-16(24-21(27)18(28)14(3)4)20(26)23-17(19(25)22-5)12-15-9-7-6-8-10-15/h6-10,13-14,16-18,28H,11-12H2,1-5H3,(H,22,25)(H,23,26)(H,24,27)/t16-,17-,18?/m0/s1
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Article
n/an/a 1.40E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-3, MMP-3


Bioorg Med Chem Lett 7: 2765-2770 (1997)


Article DOI: 10.1016/S0960-894X(97)10069-5
BindingDB Entry DOI: 10.7270/Q29G5MTB
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50290676
PNG
((S)-2-(2-Mercapto-4-phenyl-butyrylamino)-4-methyl-...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C(S)CCc1ccccc1
Show InChI InChI=1S/C26H35N3O3S/c1-18(2)16-21(29-26(32)23(33)15-14-19-10-6-4-7-11-19)25(31)28-22(24(30)27-3)17-20-12-8-5-9-13-20/h4-13,18,21-23,33H,14-17H2,1-3H3,(H,27,30)(H,28,31)(H,29,32)/t21-,22-,23?/m0/s1
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Article
n/an/a 2.60E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-3, MMP-3


Bioorg Med Chem Lett 7: 2765-2770 (1997)


Article DOI: 10.1016/S0960-894X(97)10069-5
BindingDB Entry DOI: 10.7270/Q29G5MTB
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50290672
PNG
((S)-2-(2-Mercapto-acetylamino)-4-methyl-pentanoic ...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)CS
Show InChI InChI=1S/C18H27N3O3S/c1-12(2)9-14(20-16(22)11-25)18(24)21-15(17(23)19-3)10-13-7-5-4-6-8-13/h4-8,12,14-15,25H,9-11H2,1-3H3,(H,19,23)(H,20,22)(H,21,24)/t14-,15-/m0/s1
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n/an/a 2.60E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-3, MMP-3


Bioorg Med Chem Lett 7: 2765-2770 (1997)


Article DOI: 10.1016/S0960-894X(97)10069-5
BindingDB Entry DOI: 10.7270/Q29G5MTB
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50290667
PNG
(5-Mercapto-5-[(S)-3-methyl-1-((S)-1-methylcarbamoy...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C(S)CCCC(O)=O
Show InChI InChI=1S/C22H33N3O5S/c1-14(2)12-16(25-22(30)18(31)10-7-11-19(26)27)21(29)24-17(20(28)23-3)13-15-8-5-4-6-9-15/h4-6,8-9,14,16-18,31H,7,10-13H2,1-3H3,(H,23,28)(H,24,29)(H,25,30)(H,26,27)/t16-,17-,18?/m0/s1
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n/an/a 4.28E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-3, MMP-3


Bioorg Med Chem Lett 7: 2765-2770 (1997)


Article DOI: 10.1016/S0960-894X(97)10069-5
BindingDB Entry DOI: 10.7270/Q29G5MTB
More data for this
Ligand-Target Pair