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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 378.5
BDBM50073892
Wt: 376.5
BDBM50073896
Wt: 392.5
BDBM50073898
Wt: 364.5
BDBM50073901
Wt: 364.5
BDBM50073903
Wt: 390.5
BDBM50073880
Wt: 334.4
BDBM50073884
Wt: 353.4
BDBM50291441
Wt: 347.4
BDBM50291442
Wt: 385.5
BDBM50291443
Wt: 369.5
BDBM50291446
Wt: 372.5
BDBM50291447
Wt: 379.5
BDBM50291448
Wt: 379.5
BDBM50291449
Wt: 365.4
BDBM50290672
Displayed 1 to 15 (of 47 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 45 hits in this display   
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 8


(Rattus norvegicus)
BDBM50291446
PNG
((R)-2-(2-Mercapto-acetylamino)-N-((S)-1-methylcarb...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CSC)NC(=O)CS
Show InChI InChI=1S/C16H23N3O3S2/c1-17-15(21)12(8-11-6-4-3-5-7-11)19-16(22)13(10-24-2)18-14(20)9-23/h3-7,12-13,23H,8-10H2,1-2H3,(H,17,21)(H,18,20)(H,19,22)/t12-,13-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory activity against Matrix metalloproteinase-8 (MMP-8) in adjuvant arthritic rat model of rheumatoid arthritis


Bioorg Med Chem Lett 7: 897-902 (1997)


Article DOI: 10.1016/S0960-894X(97)00125-X
BindingDB Entry DOI: 10.7270/Q2PC32CH
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9 (MMP-9)


(Rattus norvegicus (Rat))
BDBM50291447
PNG
((S)-2-(2-Mercapto-acetylamino)-4-methyl-pentanoic ...)
Show SMILES CNC(=O)[C@H](Cc1cscn1)NC(=O)[C@H](CC(C)C)NC(=O)CS
Show InChI InChI=1S/C15H24N4O3S2/c1-9(2)4-11(18-13(20)6-23)15(22)19-12(14(21)16-3)5-10-7-24-8-17-10/h7-9,11-12,23H,4-6H2,1-3H3,(H,16,21)(H,18,20)(H,19,22)/t11-,12-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory activity against Matrix metalloproteinase-9(MMP-9) in adjuvant arthritic rat model of rheumatoid arthritis


Bioorg Med Chem Lett 7: 897-902 (1997)


Article DOI: 10.1016/S0960-894X(97)00125-X
BindingDB Entry DOI: 10.7270/Q2PC32CH
More data for this
Ligand-Target Pair
Matrix metalloproteinase 8


(Rattus norvegicus)
BDBM50291447
PNG
((S)-2-(2-Mercapto-acetylamino)-4-methyl-pentanoic ...)
Show SMILES CNC(=O)[C@H](Cc1cscn1)NC(=O)[C@H](CC(C)C)NC(=O)CS
Show InChI InChI=1S/C15H24N4O3S2/c1-9(2)4-11(18-13(20)6-23)15(22)19-12(14(21)16-3)5-10-7-24-8-17-10/h7-9,11-12,23H,4-6H2,1-3H3,(H,16,21)(H,18,20)(H,19,22)/t11-,12-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory activity against Matrix metalloproteinase-8(MMP-8) in adjuvant arthritic rat model of rheumatoid arthritis


Bioorg Med Chem Lett 7: 897-902 (1997)


Article DOI: 10.1016/S0960-894X(97)00125-X
BindingDB Entry DOI: 10.7270/Q2PC32CH
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9 (MMP-9)


(Rattus norvegicus (Rat))
BDBM50291446
PNG
((R)-2-(2-Mercapto-acetylamino)-N-((S)-1-methylcarb...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CSC)NC(=O)CS
Show InChI InChI=1S/C16H23N3O3S2/c1-17-15(21)12(8-11-6-4-3-5-7-11)19-16(22)13(10-24-2)18-14(20)9-23/h3-7,12-13,23H,8-10H2,1-2H3,(H,17,21)(H,18,20)(H,19,22)/t12-,13-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory activity against Matrix Matrix metalloproteinase-9 in adjuvant arthritic rat model of rheumatoid arthritis


Bioorg Med Chem Lett 7: 897-902 (1997)


Article DOI: 10.1016/S0960-894X(97)00125-X
BindingDB Entry DOI: 10.7270/Q2PC32CH
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9 (MMP-9)


(Rattus norvegicus (Rat))
BDBM50073892
PNG
(4-Ethoxy-1-mercaptomethyl-cyclohexanecarboxylic ac...)
Show SMILES CCO[C@H]1CC[C@](CS)(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC
Show InChI InChI=1S/C20H30N2O3S/c1-3-25-16-9-11-20(14-26,12-10-16)19(24)22-17(18(23)21-2)13-15-7-5-4-6-8-15/h4-8,16-17,26H,3,9-14H2,1-2H3,(H,21,23)(H,22,24)/t16-,17-,20+/m0/s1
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Novartis Biomedical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloproteinase-9


Bioorg Med Chem Lett 9: 195-200 (1999)


Article DOI: 10.1016/s0960-894x(98)00716-1
BindingDB Entry DOI: 10.7270/Q2RX9B7F
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9 (MMP-9)


(Rattus norvegicus (Rat))
BDBM50073903
PNG
(1-Mercaptomethyl-4-methoxy-cyclohexanecarboxylic a...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@]1(CS)CC[C@@H](CC1)OC
Show InChI InChI=1S/C19H28N2O3S/c1-20-17(22)16(12-14-6-4-3-5-7-14)21-18(23)19(13-25)10-8-15(24-2)9-11-19/h3-7,15-16,25H,8-13H2,1-2H3,(H,20,22)(H,21,23)/t15-,16-,19+/m0/s1
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Novartis Biomedical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloproteinase-9


Bioorg Med Chem Lett 9: 195-200 (1999)


Article DOI: 10.1016/s0960-894x(98)00716-1
BindingDB Entry DOI: 10.7270/Q2RX9B7F
More data for this
Ligand-Target Pair
Matrix metalloproteinase 8


(Rattus norvegicus)
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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TBA

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory activity against Matrix metalloproteinase-8 (MMP-8) in adjuvant arthritic rat model of rheumatoid arthritis


Bioorg Med Chem Lett 7: 897-902 (1997)


Article DOI: 10.1016/S0960-894X(97)00125-X
BindingDB Entry DOI: 10.7270/Q2PC32CH
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(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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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 (MMP-9)


(Rattus norvegicus (Rat))
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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TBA

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory activity against Matrix metalloproteinase-9 in adjuvant arthritic rat model of rheumatoid arthritis


Bioorg Med Chem Lett 7: 897-902 (1997)


Article DOI: 10.1016/S0960-894X(97)00125-X
BindingDB Entry DOI: 10.7270/Q2PC32CH
More data for this
Ligand-Target Pair
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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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-1 (MMP1)


(homo sapiens (human))
BDBM50073903
PNG
(1-Mercaptomethyl-4-methoxy-cyclohexanecarboxylic a...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@]1(CS)CC[C@@H](CC1)OC
Show InChI InChI=1S/C19H28N2O3S/c1-20-17(22)16(12-14-6-4-3-5-7-14)21-18(23)19(13-25)10-8-15(24-2)9-11-19/h3-7,15-16,25H,8-13H2,1-2H3,(H,20,22)(H,21,23)/t15-,16-,19+/m0/s1
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n/an/a 110n/an/an/an/an/an/a



Novartis Biomedical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloproteinase 1


Bioorg Med Chem Lett 9: 195-200 (1999)


Article DOI: 10.1016/s0960-894x(98)00716-1
BindingDB Entry DOI: 10.7270/Q2RX9B7F
More data for this
Ligand-Target Pair
Tissue inhibitor of metalloproteinases-3


(Rattus norvegicus)
BDBM50073898
PNG
(1-Mercaptomethyl-4-propoxy-cyclohexanecarboxylic a...)
Show SMILES CCCO[C@H]1CC[C@](CS)(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC
Show InChI InChI=1S/C21H32N2O3S/c1-3-13-26-17-9-11-21(15-27,12-10-17)20(25)23-18(19(24)22-2)14-16-7-5-4-6-8-16/h4-8,17-18,27H,3,9-15H2,1-2H3,(H,22,24)(H,23,25)/t17-,18-,21+/m0/s1
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n/an/a 187n/an/an/an/an/an/a



Novartis Biomedical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloproteinase-3


Bioorg Med Chem Lett 9: 195-200 (1999)


Article DOI: 10.1016/s0960-894x(98)00716-1
BindingDB Entry DOI: 10.7270/Q2RX9B7F
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9 (MMP-9)


(Rattus norvegicus (Rat))
BDBM50291443
PNG
((R)-2-(2-Mercapto-acetylamino)-3-methanesulfinyl-N...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS(C)=O)NC(=O)CS
Show InChI InChI=1S/C16H23N3O4S2/c1-17-15(21)12(8-11-6-4-3-5-7-11)19-16(22)13(10-25(2)23)18-14(20)9-24/h3-7,12-13,24H,8-10H2,1-2H3,(H,17,21)(H,18,20)(H,19,22)/t12-,13-,25?/m0/s1
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n/an/a 350n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory activity against Matrix Matrix metalloproteinase-9 in adjuvant arthritic rat model of rheumatoid arthritis


Bioorg Med Chem Lett 7: 897-902 (1997)


Article DOI: 10.1016/S0960-894X(97)00125-X
BindingDB Entry DOI: 10.7270/Q2PC32CH
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9 (MMP-9)


(Rattus norvegicus (Rat))
BDBM50073884
PNG
(1-Mercaptomethyl-cyclohexanecarboxylic acid ((S)-1...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)C1(CS)CCCCC1
Show InChI InChI=1S/C18H26N2O2S/c1-19-16(21)15(12-14-8-4-2-5-9-14)20-17(22)18(13-23)10-6-3-7-11-18/h2,4-5,8-9,15,23H,3,6-7,10-13H2,1H3,(H,19,21)(H,20,22)/t15-/m0/s1
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Novartis Biomedical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloproteinase-9


Bioorg Med Chem Lett 9: 195-200 (1999)


Article DOI: 10.1016/s0960-894x(98)00716-1
BindingDB Entry DOI: 10.7270/Q2RX9B7F
More data for this
Ligand-Target Pair
Tissue inhibitor of metalloproteinases-3


(Rattus norvegicus)
BDBM50291447
PNG
((S)-2-(2-Mercapto-acetylamino)-4-methyl-pentanoic ...)
Show SMILES CNC(=O)[C@H](Cc1cscn1)NC(=O)[C@H](CC(C)C)NC(=O)CS
Show InChI InChI=1S/C15H24N4O3S2/c1-9(2)4-11(18-13(20)6-23)15(22)19-12(14(21)16-3)5-10-7-24-8-17-10/h7-9,11-12,23H,4-6H2,1-3H3,(H,16,21)(H,18,20)(H,19,22)/t11-,12-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory activity against Matrix metalloproteinase-3(MMP-3) in adjuvant arthritic rat model of rheumatoid arthritis


Bioorg Med Chem Lett 7: 897-902 (1997)


Article DOI: 10.1016/S0960-894X(97)00125-X
BindingDB Entry DOI: 10.7270/Q2PC32CH
More data for this
Ligand-Target Pair
Matrix metalloproteinase 8


(Rattus norvegicus)
BDBM50291443
PNG
((R)-2-(2-Mercapto-acetylamino)-3-methanesulfinyl-N...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS(C)=O)NC(=O)CS
Show InChI InChI=1S/C16H23N3O4S2/c1-17-15(21)12(8-11-6-4-3-5-7-11)19-16(22)13(10-25(2)23)18-14(20)9-24/h3-7,12-13,24H,8-10H2,1-2H3,(H,17,21)(H,18,20)(H,19,22)/t12-,13-,25?/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory activity against Matrix metalloproteinase-8 (MMP-8) in adjuvant arthritic rat model of rheumatoid arthritis


Bioorg Med Chem Lett 7: 897-902 (1997)


Article DOI: 10.1016/S0960-894X(97)00125-X
BindingDB Entry DOI: 10.7270/Q2PC32CH
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9 (MMP-9)


(Rattus norvegicus (Rat))
BDBM50073898
PNG
(1-Mercaptomethyl-4-propoxy-cyclohexanecarboxylic a...)
Show SMILES CCCO[C@H]1CC[C@](CS)(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC
Show InChI InChI=1S/C21H32N2O3S/c1-3-13-26-17-9-11-21(15-27,12-10-17)20(25)23-18(19(24)22-2)14-16-7-5-4-6-8-16/h4-8,17-18,27H,3,9-15H2,1-2H3,(H,22,24)(H,23,25)/t17-,18-,21+/m0/s1
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n/an/a 630n/an/an/an/an/an/a



Novartis Biomedical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloproteinase-9


Bioorg Med Chem Lett 9: 195-200 (1999)


Article DOI: 10.1016/s0960-894x(98)00716-1
BindingDB Entry DOI: 10.7270/Q2RX9B7F
More data for this
Ligand-Target Pair
Tissue inhibitor of metalloproteinases-3


(Rattus norvegicus)
BDBM50073892
PNG
(4-Ethoxy-1-mercaptomethyl-cyclohexanecarboxylic ac...)
Show SMILES CCO[C@H]1CC[C@](CS)(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC
Show InChI InChI=1S/C20H30N2O3S/c1-3-25-16-9-11-20(14-26,12-10-16)19(24)22-17(18(23)21-2)13-15-7-5-4-6-8-15/h4-8,16-17,26H,3,9-14H2,1-2H3,(H,21,23)(H,22,24)/t16-,17-,20+/m0/s1
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Novartis Biomedical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloproteinase-3


Bioorg Med Chem Lett 9: 195-200 (1999)


Article DOI: 10.1016/s0960-894x(98)00716-1
BindingDB Entry DOI: 10.7270/Q2RX9B7F
More data for this
Ligand-Target Pair
Tissue inhibitor of metalloproteinases-3


(Rattus norvegicus)
BDBM50291446
PNG
((R)-2-(2-Mercapto-acetylamino)-N-((S)-1-methylcarb...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CSC)NC(=O)CS
Show InChI InChI=1S/C16H23N3O3S2/c1-17-15(21)12(8-11-6-4-3-5-7-11)19-16(22)13(10-24-2)18-14(20)9-23/h3-7,12-13,23H,8-10H2,1-2H3,(H,17,21)(H,18,20)(H,19,22)/t12-,13-/m0/s1
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n/an/a 650n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory activity against Matrix metalloproteinase-3 (MMP-3) in adjuvant arthritic rat model of rheumatoid arthritis


Bioorg Med Chem Lett 7: 897-902 (1997)


Article DOI: 10.1016/S0960-894X(97)00125-X
BindingDB Entry DOI: 10.7270/Q2PC32CH
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50073892
PNG
(4-Ethoxy-1-mercaptomethyl-cyclohexanecarboxylic ac...)
Show SMILES CCO[C@H]1CC[C@](CS)(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC
Show InChI InChI=1S/C20H30N2O3S/c1-3-25-16-9-11-20(14-26,12-10-16)19(24)22-17(18(23)21-2)13-15-7-5-4-6-8-15/h4-8,16-17,26H,3,9-14H2,1-2H3,(H,21,23)(H,22,24)/t16-,17-,20+/m0/s1
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n/an/a 700n/an/an/an/an/an/a



Novartis Biomedical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloproteinase 1


Bioorg Med Chem Lett 9: 195-200 (1999)


Article DOI: 10.1016/s0960-894x(98)00716-1
BindingDB Entry DOI: 10.7270/Q2RX9B7F
More data for this
Ligand-Target Pair
Tissue inhibitor of metalloproteinases-3


(Rattus norvegicus)
BDBM50073903
PNG
(1-Mercaptomethyl-4-methoxy-cyclohexanecarboxylic a...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@]1(CS)CC[C@@H](CC1)OC
Show InChI InChI=1S/C19H28N2O3S/c1-20-17(22)16(12-14-6-4-3-5-7-14)21-18(23)19(13-25)10-8-15(24-2)9-11-19/h3-7,15-16,25H,8-13H2,1-2H3,(H,20,22)(H,21,23)/t15-,16-,19+/m0/s1
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n/an/a 926n/an/an/an/an/an/a



Novartis Biomedical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloproteinase-3


Bioorg Med Chem Lett 9: 195-200 (1999)


Article DOI: 10.1016/s0960-894x(98)00716-1
BindingDB Entry DOI: 10.7270/Q2RX9B7F
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9 (MMP-9)


(Rattus norvegicus (Rat))
BDBM50291441
PNG
((S)-3-Hydroxy-2-(2-mercapto-acetylamino)-N-((S)-1-...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CS)C(C)O
Show InChI InChI=1S/C16H23N3O4S/c1-10(20)14(19-13(21)9-24)16(23)18-12(15(22)17-2)8-11-6-4-3-5-7-11/h3-7,10,12,14,20,24H,8-9H2,1-2H3,(H,17,22)(H,18,23)(H,19,21)/t10?,12-,14-/m0/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory activity against Matrix Matrix metalloproteinase-9 in adjuvant arthritic rat model of rheumatoid arthritis


Bioorg Med Chem Lett 7: 897-902 (1997)


Article DOI: 10.1016/S0960-894X(97)00125-X
BindingDB Entry DOI: 10.7270/Q2PC32CH
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
Matrix metalloproteinase 8


(Rattus norvegicus)
BDBM50291449
PNG
((S)-4-Methyl-2-(2-methylsulfanyl-acetylamino)-pent...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)CSC
Show InChI InChI=1S/C19H29N3O3S/c1-13(2)10-15(21-17(23)12-26-4)19(25)22-16(18(24)20-3)11-14-8-6-5-7-9-14/h5-9,13,15-16H,10-12H2,1-4H3,(H,20,24)(H,21,23)(H,22,25)/t15-,16-/m0/s1
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n/an/a 2.60E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory activity against Matrix metalloproteinase-8 (MMP-8) in adjuvant arthritic rat model of rheumatoid arthritis


Bioorg Med Chem Lett 7: 897-902 (1997)


Article DOI: 10.1016/S0960-894X(97)00125-X
BindingDB Entry DOI: 10.7270/Q2PC32CH
More data for this
Ligand-Target Pair
Tissue inhibitor of metalloproteinases-3


(Rattus norvegicus)
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
Compound was tested for its inhibitory activity against Matrix metalloproteinase-3 (MMP-3) in adjuvant arthritic rat model of rheumatoid arthritis


Bioorg Med Chem Lett 7: 897-902 (1997)


Article DOI: 10.1016/S0960-894X(97)00125-X
BindingDB Entry DOI: 10.7270/Q2PC32CH
More data for this
Ligand-Target Pair
Matrix metalloproteinase 8


(Rattus norvegicus)
BDBM50291441
PNG
((S)-3-Hydroxy-2-(2-mercapto-acetylamino)-N-((S)-1-...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CS)C(C)O
Show InChI InChI=1S/C16H23N3O4S/c1-10(20)14(19-13(21)9-24)16(23)18-12(15(22)17-2)8-11-6-4-3-5-7-11/h3-7,10,12,14,20,24H,8-9H2,1-2H3,(H,17,22)(H,18,23)(H,19,21)/t10?,12-,14-/m0/s1
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n/an/a 4.10E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory activity against Matrix metalloproteinase-8 (MMP-8) in adjuvant arthritic rat model of rheumatoid arthritis


Bioorg Med Chem Lett 7: 897-902 (1997)


Article DOI: 10.1016/S0960-894X(97)00125-X
BindingDB Entry DOI: 10.7270/Q2PC32CH
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9 (MMP-9)


(Rattus norvegicus (Rat))
BDBM50291449
PNG
((S)-4-Methyl-2-(2-methylsulfanyl-acetylamino)-pent...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)CSC
Show InChI InChI=1S/C19H29N3O3S/c1-13(2)10-15(21-17(23)12-26-4)19(25)22-16(18(24)20-3)11-14-8-6-5-7-9-14/h5-9,13,15-16H,10-12H2,1-4H3,(H,20,24)(H,21,23)(H,22,25)/t15-,16-/m0/s1
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n/an/a 4.60E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory activity against Matrix Matrix metalloproteinase-9 in adjuvant arthritic rat model of rheumatoid arthritis


Bioorg Med Chem Lett 7: 897-902 (1997)


Article DOI: 10.1016/S0960-894X(97)00125-X
BindingDB Entry DOI: 10.7270/Q2PC32CH
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50073884
PNG
(1-Mercaptomethyl-cyclohexanecarboxylic acid ((S)-1...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)C1(CS)CCCCC1
Show InChI InChI=1S/C18H26N2O2S/c1-19-16(21)15(12-14-8-4-2-5-9-14)20-17(22)18(13-23)10-6-3-7-11-18/h2,4-5,8-9,15,23H,3,6-7,10-13H2,1H3,(H,19,21)(H,20,22)/t15-/m0/s1
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n/an/a 5.03E+3n/an/an/an/an/an/a



Novartis Biomedical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloproteinase 1


Bioorg Med Chem Lett 9: 195-200 (1999)


Article DOI: 10.1016/s0960-894x(98)00716-1
BindingDB Entry DOI: 10.7270/Q2RX9B7F
More data for this
Ligand-Target Pair
Matrix metalloproteinase 8


(Rattus norvegicus)
BDBM50291448
PNG
((S)-2-(3-Mercapto-propionylamino)-4-methyl-pentano...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)CCS
Show InChI InChI=1S/C19H29N3O3S/c1-13(2)11-15(21-17(23)9-10-26)19(25)22-16(18(24)20-3)12-14-7-5-4-6-8-14/h4-8,13,15-16,26H,9-12H2,1-3H3,(H,20,24)(H,21,23)(H,22,25)/t15-,16-/m0/s1
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n/an/a 5.10E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory activity against Matrix metalloproteinase-8 (MMP-8) in adjuvant arthritic rat model of rheumatoid arthritis


Bioorg Med Chem Lett 7: 897-902 (1997)


Article DOI: 10.1016/S0960-894X(97)00125-X
BindingDB Entry DOI: 10.7270/Q2PC32CH
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50073898
PNG
(1-Mercaptomethyl-4-propoxy-cyclohexanecarboxylic a...)
Show SMILES CCCO[C@H]1CC[C@](CS)(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC
Show InChI InChI=1S/C21H32N2O3S/c1-3-13-26-17-9-11-21(15-27,12-10-17)20(25)23-18(19(24)22-2)14-16-7-5-4-6-8-16/h4-8,17-18,27H,3,9-15H2,1-2H3,(H,22,24)(H,23,25)/t17-,18-,21+/m0/s1
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n/an/a 6.03E+3n/an/an/an/an/an/a



Novartis Biomedical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloproteinase 1


Bioorg Med Chem Lett 9: 195-200 (1999)


Article DOI: 10.1016/s0960-894x(98)00716-1
BindingDB Entry DOI: 10.7270/Q2RX9B7F
More data for this
Ligand-Target Pair
Tissue inhibitor of metalloproteinases-3


(Rattus norvegicus)
BDBM50291443
PNG
((R)-2-(2-Mercapto-acetylamino)-3-methanesulfinyl-N...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS(C)=O)NC(=O)CS
Show InChI InChI=1S/C16H23N3O4S2/c1-17-15(21)12(8-11-6-4-3-5-7-11)19-16(22)13(10-25(2)23)18-14(20)9-24/h3-7,12-13,24H,8-10H2,1-2H3,(H,17,21)(H,18,20)(H,19,22)/t12-,13-,25?/m0/s1
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n/an/a 8.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory activity against Matrix metalloproteinase-3 (MMP-3) in adjuvant arthritic rat model of rheumatoid arthritis


Bioorg Med Chem Lett 7: 897-902 (1997)


Article DOI: 10.1016/S0960-894X(97)00125-X
BindingDB Entry DOI: 10.7270/Q2PC32CH
More data for this
Ligand-Target Pair
Tissue inhibitor of metalloproteinases-3


(Rattus norvegicus)
BDBM50073884
PNG
(1-Mercaptomethyl-cyclohexanecarboxylic acid ((S)-1...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)C1(CS)CCCCC1
Show InChI InChI=1S/C18H26N2O2S/c1-19-16(21)15(12-14-8-4-2-5-9-14)20-17(22)18(13-23)10-6-3-7-11-18/h2,4-5,8-9,15,23H,3,6-7,10-13H2,1H3,(H,19,21)(H,20,22)/t15-/m0/s1
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n/an/a 9.20E+3n/an/an/an/an/an/a



Novartis Biomedical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloproteinase-3


Bioorg Med Chem Lett 9: 195-200 (1999)


Article DOI: 10.1016/s0960-894x(98)00716-1
BindingDB Entry DOI: 10.7270/Q2RX9B7F
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9 (MMP-9)


(Rattus norvegicus (Rat))
BDBM50291448
PNG
((S)-2-(3-Mercapto-propionylamino)-4-methyl-pentano...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)CCS
Show InChI InChI=1S/C19H29N3O3S/c1-13(2)11-15(21-17(23)9-10-26)19(25)22-16(18(24)20-3)12-14-7-5-4-6-8-14/h4-8,13,15-16,26H,9-12H2,1-3H3,(H,20,24)(H,21,23)(H,22,25)/t15-,16-/m0/s1
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n/an/a 9.60E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory activity against Matrix Matrix metalloproteinase-9 in adjuvant arthritic rat model of rheumatoid arthritis


Bioorg Med Chem Lett 7: 897-902 (1997)


Article DOI: 10.1016/S0960-894X(97)00125-X
BindingDB Entry DOI: 10.7270/Q2PC32CH
More data for this
Ligand-Target Pair
Tissue inhibitor of metalloproteinases-3


(Rattus norvegicus)
BDBM50073896
PNG
(1-Mercaptomethyl-4-propyl-cyclohexanecarboxylic ac...)
Show SMILES CCC[C@H]1CC[C@](CS)(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC
Show InChI InChI=1S/C21H32N2O2S/c1-3-7-16-10-12-21(15-26,13-11-16)20(25)23-18(19(24)22-2)14-17-8-5-4-6-9-17/h4-6,8-9,16,18,26H,3,7,10-15H2,1-2H3,(H,22,24)(H,23,25)/t16-,18-,21+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Biomedical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloproteinase-3


Bioorg Med Chem Lett 9: 195-200 (1999)


Article DOI: 10.1016/s0960-894x(98)00716-1
BindingDB Entry DOI: 10.7270/Q2RX9B7F
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9 (MMP-9)


(Rattus norvegicus (Rat))
BDBM50073880
PNG
(4-tert-Butyl-1-mercaptomethyl-cyclohexanecarboxyli...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@]1(CS)CC[C@@H](CC1)C(C)(C)C
Show InChI InChI=1S/C22H34N2O2S/c1-21(2,3)17-10-12-22(15-27,13-11-17)20(26)24-18(19(25)23-4)14-16-8-6-5-7-9-16/h5-9,17-18,27H,10-15H2,1-4H3,(H,23,25)(H,24,26)/t17-,18-,22+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Biomedical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloproteinase-9


Bioorg Med Chem Lett 9: 195-200 (1999)


Article DOI: 10.1016/s0960-894x(98)00716-1
BindingDB Entry DOI: 10.7270/Q2RX9B7F
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9 (MMP-9)


(Rattus norvegicus (Rat))
BDBM50073901
PNG
((R)-1-Mercaptomethyl-3-methoxy-cyclohexanecarboxyl...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@]1(CS)CCCC(C1)OC
Show InChI InChI=1S/C19H28N2O3S/c1-20-17(22)16(11-14-7-4-3-5-8-14)21-18(23)19(13-25)10-6-9-15(12-19)24-2/h3-5,7-8,15-16,25H,6,9-13H2,1-2H3,(H,20,22)(H,21,23)/t15?,16-,19-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Biomedical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloproteinase-9


Bioorg Med Chem Lett 9: 195-200 (1999)


Article DOI: 10.1016/s0960-894x(98)00716-1
BindingDB Entry DOI: 10.7270/Q2RX9B7F
More data for this
Ligand-Target Pair
Tissue inhibitor of metalloproteinases-3


(Rattus norvegicus)
BDBM50073901
PNG
((R)-1-Mercaptomethyl-3-methoxy-cyclohexanecarboxyl...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@]1(CS)CCCC(C1)OC
Show InChI InChI=1S/C19H28N2O3S/c1-20-17(22)16(11-14-7-4-3-5-8-14)21-18(23)19(13-25)10-6-9-15(12-19)24-2/h3-5,7-8,15-16,25H,6,9-13H2,1-2H3,(H,20,22)(H,21,23)/t15?,16-,19-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Biomedical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloproteinase-3


Bioorg Med Chem Lett 9: 195-200 (1999)


Article DOI: 10.1016/s0960-894x(98)00716-1
BindingDB Entry DOI: 10.7270/Q2RX9B7F
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9 (MMP-9)


(Rattus norvegicus (Rat))
BDBM50073896
PNG
(1-Mercaptomethyl-4-propyl-cyclohexanecarboxylic ac...)
Show SMILES CCC[C@H]1CC[C@](CS)(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC
Show InChI InChI=1S/C21H32N2O2S/c1-3-7-16-10-12-21(15-26,13-11-16)20(25)23-18(19(24)22-2)14-17-8-5-4-6-9-17/h4-6,8-9,16,18,26H,3,7,10-15H2,1-2H3,(H,22,24)(H,23,25)/t16-,18-,21+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Biomedical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloproteinase-9


Bioorg Med Chem Lett 9: 195-200 (1999)


Article DOI: 10.1016/s0960-894x(98)00716-1
BindingDB Entry DOI: 10.7270/Q2RX9B7F
More data for this
Ligand-Target Pair
Tissue inhibitor of metalloproteinases-3


(Rattus norvegicus)
BDBM50073880
PNG
(4-tert-Butyl-1-mercaptomethyl-cyclohexanecarboxyli...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@]1(CS)CC[C@@H](CC1)C(C)(C)C
Show InChI InChI=1S/C22H34N2O2S/c1-21(2,3)17-10-12-22(15-27,13-11-17)20(26)24-18(19(25)23-4)14-16-8-6-5-7-9-16/h5-9,17-18,27H,10-15H2,1-4H3,(H,23,25)(H,24,26)/t17-,18-,22+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Biomedical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloproteinase-3


Bioorg Med Chem Lett 9: 195-200 (1999)


Article DOI: 10.1016/s0960-894x(98)00716-1
BindingDB Entry DOI: 10.7270/Q2RX9B7F
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9 (MMP-9)


(Rattus norvegicus (Rat))
BDBM50291442
PNG
((S)-4-Methyl-2-propionylamino-pentanoic acid ((S)-...)
Show SMILES CCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC
Show InChI InChI=1S/C19H29N3O3/c1-5-17(23)21-15(11-13(2)3)19(25)22-16(18(24)20-4)12-14-9-7-6-8-10-14/h6-10,13,15-16H,5,11-12H2,1-4H3,(H,20,24)(H,21,23)(H,22,25)/t15-,16-/m0/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory activity against Matrix Matrix metalloproteinase-9 in adjuvant arthritic rat model of rheumatoid arthritis


Bioorg Med Chem Lett 7: 897-902 (1997)


Article DOI: 10.1016/S0960-894X(97)00125-X
BindingDB Entry DOI: 10.7270/Q2PC32CH
More data for this
Ligand-Target Pair
Tissue inhibitor of metalloproteinases-3


(Rattus norvegicus)
BDBM50291449
PNG
((S)-4-Methyl-2-(2-methylsulfanyl-acetylamino)-pent...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)CSC
Show InChI InChI=1S/C19H29N3O3S/c1-13(2)10-15(21-17(23)12-26-4)19(25)22-16(18(24)20-3)11-14-8-6-5-7-9-14/h5-9,13,15-16H,10-12H2,1-4H3,(H,20,24)(H,21,23)(H,22,25)/t15-,16-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory activity against Matrix metalloproteinase-3 (MMP-3) in adjuvant arthritic rat model of rheumatoid arthritis


Bioorg Med Chem Lett 7: 897-902 (1997)


Article DOI: 10.1016/S0960-894X(97)00125-X
BindingDB Entry DOI: 10.7270/Q2PC32CH
More data for this
Ligand-Target Pair
Tissue inhibitor of metalloproteinases-3


(Rattus norvegicus)
BDBM50291442
PNG
((S)-4-Methyl-2-propionylamino-pentanoic acid ((S)-...)
Show SMILES CCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC
Show InChI InChI=1S/C19H29N3O3/c1-5-17(23)21-15(11-13(2)3)19(25)22-16(18(24)20-4)12-14-9-7-6-8-10-14/h6-10,13,15-16H,5,11-12H2,1-4H3,(H,20,24)(H,21,23)(H,22,25)/t15-,16-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory activity against Matrix metalloproteinase-3 (MMP-3) in adjuvant arthritic rat model of rheumatoid arthritis


Bioorg Med Chem Lett 7: 897-902 (1997)


Article DOI: 10.1016/S0960-894X(97)00125-X
BindingDB Entry DOI: 10.7270/Q2PC32CH
More data for this
Ligand-Target Pair
Tissue inhibitor of metalloproteinases-3


(Rattus norvegicus)
BDBM50291441
PNG
((S)-3-Hydroxy-2-(2-mercapto-acetylamino)-N-((S)-1-...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CS)C(C)O
Show InChI InChI=1S/C16H23N3O4S/c1-10(20)14(19-13(21)9-24)16(23)18-12(15(22)17-2)8-11-6-4-3-5-7-11/h3-7,10,12,14,20,24H,8-9H2,1-2H3,(H,17,22)(H,18,23)(H,19,21)/t10?,12-,14-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory activity against Matrix metalloproteinase-3 (MMP-3) in adjuvant arthritic rat model of rheumatoid arthritis


Bioorg Med Chem Lett 7: 897-902 (1997)


Article DOI: 10.1016/S0960-894X(97)00125-X
BindingDB Entry DOI: 10.7270/Q2PC32CH
More data for this
Ligand-Target Pair
Matrix metalloproteinase 8


(Rattus norvegicus)
BDBM50291442
PNG
((S)-4-Methyl-2-propionylamino-pentanoic acid ((S)-...)
Show SMILES CCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC
Show InChI InChI=1S/C19H29N3O3/c1-5-17(23)21-15(11-13(2)3)19(25)22-16(18(24)20-4)12-14-9-7-6-8-10-14/h6-10,13,15-16H,5,11-12H2,1-4H3,(H,20,24)(H,21,23)(H,22,25)/t15-,16-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory activity against Matrix metalloproteinase-8 (MMP-8) in adjuvant arthritic rat model of rheumatoid arthritis


Bioorg Med Chem Lett 7: 897-902 (1997)


Article DOI: 10.1016/S0960-894X(97)00125-X
BindingDB Entry DOI: 10.7270/Q2PC32CH
More data for this
Ligand-Target Pair
Tissue inhibitor of metalloproteinases-3


(Rattus norvegicus)
BDBM50291448
PNG
((S)-2-(3-Mercapto-propionylamino)-4-methyl-pentano...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)CCS
Show InChI InChI=1S/C19H29N3O3S/c1-13(2)11-15(21-17(23)9-10-26)19(25)22-16(18(24)20-3)12-14-7-5-4-6-8-14/h4-8,13,15-16,26H,9-12H2,1-3H3,(H,20,24)(H,21,23)(H,22,25)/t15-,16-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory activity against Matrix metalloproteinase-3 (MMP-3) in adjuvant arthritic rat model of rheumatoid arthritis


Bioorg Med Chem Lett 7: 897-902 (1997)


Article DOI: 10.1016/S0960-894X(97)00125-X
BindingDB Entry DOI: 10.7270/Q2PC32CH
More data for this
Ligand-Target Pair