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Compile Data Set for Download or QSAR

Found 38 hits Enz. Inhib. hit(s) with Target = 'Tissue inhibitor of metalloproteinases-3' AND taxid = 10116   
Target
(Institution)
LigandTarget
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
Tissue inhibitor of metalloproteinases-3


(Rattus norvegicus)
BDBM50073906
PNG
(4-Ethoxy-1-mercaptomethyl-cyclohexanecarboxylic ac...)
Show SMILES CCO[C@H]1CC[C@](CS)(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(OC)cc1
Show InChI InChI=1S/C26H34N2O4S/c1-3-32-22-13-15-26(18-33,16-14-22)25(30)28-23(17-19-7-5-4-6-8-19)24(29)27-20-9-11-21(31-2)12-10-20/h4-12,22-23,33H,3,13-18H2,1-2H3,(H,27,29)(H,28,30)/t22-,23-,26+/m0/s1
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n/an/a 39n/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)

More data for this
Ligand-Target Pair
Tissue inhibitor of metalloproteinases-3


(Rattus norvegicus)
BDBM50073894
PNG
(4-Ethoxy-1-mercaptomethyl-cyclohexanecarboxylic ac...)
Show SMILES CCO[C@H]1CC[C@](CS)(CC1)C(=O)N[C@@H](Cc1cccs1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C23H30N2O3S2/c1-2-28-18-10-12-23(16-29,13-11-18)22(27)25-20(15-19-9-6-14-30-19)21(26)24-17-7-4-3-5-8-17/h3-9,14,18,20,29H,2,10-13,15-16H2,1H3,(H,24,26)(H,25,27)/t18-,20-,23+/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)

More data for this
Ligand-Target Pair
Tissue inhibitor of metalloproteinases-3


(Rattus norvegicus)
BDBM50073893
PNG
(4-Ethoxy-1-mercaptomethyl-cyclohexanecarboxylic ac...)
Show SMILES CCO[C@H]1CC[C@](CS)(CC1)C(=O)N[C@@H](Cc1cccnc1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C24H31N3O3S/c1-2-30-20-10-12-24(17-31,13-11-20)23(29)27-21(15-18-7-6-14-25-16-18)22(28)26-19-8-4-3-5-9-19/h3-9,14,16,20-21,31H,2,10-13,15,17H2,1H3,(H,26,28)(H,27,29)/t20-,21-,24+/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)

More data for this
Ligand-Target Pair
Tissue inhibitor of metalloproteinases-3


(Rattus norvegicus)
BDBM50073885
PNG
(4-Ethoxy-1-mercaptomethyl-cyclohexanecarboxylic ac...)
Show SMILES CCO[C@H]1CC[C@](CS)(CC1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C25H32N2O4S/c1-2-31-21-12-14-25(17-32,15-13-21)24(30)27-22(16-18-8-10-20(28)11-9-18)23(29)26-19-6-4-3-5-7-19/h3-11,21-22,28,32H,2,12-17H2,1H3,(H,26,29)(H,27,30)/t21-,22-,25+/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)

More data for this
Ligand-Target Pair
Tissue inhibitor of metalloproteinases-3


(Rattus norvegicus)
BDBM50073881
PNG
(4-Ethoxy-1-mercaptomethyl-cyclohexanecarboxylic ac...)
Show SMILES CCO[C@H]1CC[C@](CS)(CC1)C(=O)N[C@@H](Cc1ccc(OC)cc1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C26H34N2O4S/c1-3-32-22-13-15-26(18-33,16-14-22)25(30)28-23(17-19-9-11-21(31-2)12-10-19)24(29)27-20-7-5-4-6-8-20/h4-12,22-23,33H,3,13-18H2,1-2H3,(H,27,29)(H,28,30)/t22-,23-,26+/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)

More data for this
Ligand-Target Pair
Tissue inhibitor of metalloproteinases-3


(Rattus norvegicus)
BDBM50073886
PNG
(4-Ethoxy-1-mercaptomethyl-cyclohexanecarboxylic ac...)
Show SMILES CCO[C@H]1CC[C@](CS)(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccnc1
Show InChI InChI=1S/C24H31N3O3S/c1-2-30-20-10-12-24(17-31,13-11-20)23(29)27-21(15-18-7-4-3-5-8-18)22(28)26-19-9-6-14-25-16-19/h3-9,14,16,20-21,31H,2,10-13,15,17H2,1H3,(H,26,28)(H,27,29)/t20-,21-,24+/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)

More data for this
Ligand-Target Pair
Tissue inhibitor of metalloproteinases-3


(Rattus norvegicus)
BDBM50073883
PNG
(4-Ethoxy-1-mercaptomethyl-cyclohexanecarboxylic ac...)
Show SMILES CCO[C@H]1CC[C@](CS)(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C25H32N2O3S/c1-2-30-21-13-15-25(18-31,16-14-21)24(29)27-22(17-19-9-5-3-6-10-19)23(28)26-20-11-7-4-8-12-20/h3-12,21-22,31H,2,13-18H2,1H3,(H,26,28)(H,27,29)/t21-,22-,25+/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)

More data for this
Ligand-Target Pair
Tissue inhibitor of metalloproteinases-3


(Rattus norvegicus)
BDBM50073900
PNG
(4-Ethoxy-1-mercaptomethyl-cyclohexanecarboxylic ac...)
Show SMILES CCO[C@H]1CC[C@](CS)(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(cc1)N(C)C
Show InChI InChI=1S/C27H37N3O3S/c1-4-33-23-14-16-27(19-34,17-15-23)26(32)29-24(18-20-8-6-5-7-9-20)25(31)28-21-10-12-22(13-11-21)30(2)3/h5-13,23-24,34H,4,14-19H2,1-3H3,(H,28,31)(H,29,32)/t23-,24-,27+/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)

More data for this
Ligand-Target Pair
Tissue inhibitor of metalloproteinases-3


(Rattus norvegicus)
BDBM50073905
PNG
(4-Ethoxy-1-mercaptomethyl-cyclohexanecarboxylic ac...)
Show SMILES CCO[C@H]1CC[C@](CS)(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C25H31FN2O3S/c1-2-31-21-12-14-25(17-32,15-13-21)24(30)28-22(16-18-6-4-3-5-7-18)23(29)27-20-10-8-19(26)9-11-20/h3-11,21-22,32H,2,12-17H2,1H3,(H,27,29)(H,28,30)/t21-,22-,25+/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)

More data for this
Ligand-Target Pair
Tissue inhibitor of metalloproteinases-3


(Rattus norvegicus)
BDBM50073889
PNG
(4-Ethoxy-1-mercaptomethyl-cyclohexanecarboxylic ac...)
Show SMILES CCO[C@H]1CC[C@](CS)(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C25H31ClN2O3S/c1-2-31-21-12-14-25(17-32,15-13-21)24(30)28-22(16-18-6-4-3-5-7-18)23(29)27-20-10-8-19(26)9-11-20/h3-11,21-22,32H,2,12-17H2,1H3,(H,27,29)(H,28,30)/t21-,22-,25+/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)

More data for this
Ligand-Target Pair
Tissue inhibitor of metalloproteinases-3


(Rattus norvegicus)
BDBM50073891
PNG
(4-Ethoxy-1-mercaptomethyl-cyclohexanecarboxylic ac...)
Show SMILES CCO[C@H]1CC[C@](CS)(CC1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C25H31FN2O3S/c1-2-31-21-12-14-25(17-32,15-13-21)24(30)28-22(16-18-8-10-19(26)11-9-18)23(29)27-20-6-4-3-5-7-20/h3-11,21-22,32H,2,12-17H2,1H3,(H,27,29)(H,28,30)/t21-,22-,25+/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)

More data for this
Ligand-Target Pair
Tissue inhibitor of metalloproteinases-3


(Rattus norvegicus)
BDBM50073888
PNG
(4-Ethoxy-1-mercaptomethyl-cyclohexanecarboxylic ac...)
Show SMILES CCO[C@H]1CC[C@](CS)(CC1)C(=O)N[C@@H](Cc1ccc(OCC)cc1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C27H36N2O4S/c1-3-32-22-12-10-20(11-13-22)18-24(25(30)28-21-8-6-5-7-9-21)29-26(31)27(19-34)16-14-23(15-17-27)33-4-2/h5-13,23-24,34H,3-4,14-19H2,1-2H3,(H,28,30)(H,29,31)/t23-,24-,27+/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)

More data for this
Ligand-Target Pair
Tissue inhibitor of metalloproteinases-3


(Rattus norvegicus)
BDBM50073899
PNG
(4-Ethoxy-1-mercaptomethyl-cyclohexanecarboxylic ac...)
Show SMILES CCO[C@H]1CC[C@](CS)(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C26H31F3N2O4S/c1-2-34-20-12-14-25(17-36,15-13-20)24(33)31-22(16-18-6-4-3-5-7-18)23(32)30-19-8-10-21(11-9-19)35-26(27,28)29/h3-11,20,22,36H,2,12-17H2,1H3,(H,30,32)(H,31,33)/t20-,22-,25+/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)

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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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)

More data for this
Ligand-Target Pair
Tissue inhibitor of metalloproteinases-3


(Rattus norvegicus)
BDBM50073895
PNG
(4-Ethoxy-1-mercaptomethyl-cyclohexanecarboxylic ac...)
Show SMILES CCO[C@H]1CC[C@](CS)(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C26H34N2O3S/c1-2-31-22-13-15-26(19-32,16-14-22)25(30)28-23(17-20-9-5-3-6-10-20)24(29)27-18-21-11-7-4-8-12-21/h3-12,22-23,32H,2,13-19H2,1H3,(H,27,29)(H,28,30)/t22-,23-,26+/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)

More data for this
Ligand-Target Pair
Tissue inhibitor of metalloproteinases-3


(Rattus norvegicus)
BDBM50073887
PNG
(4-Ethoxy-1-mercaptomethyl-cyclohexanecarboxylic ac...)
Show SMILES CCO[C@H]1CC[C@](CS)(CC1)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C25H31ClN2O3S/c1-2-31-21-12-14-25(17-32,15-13-21)24(30)28-22(16-18-8-10-19(26)11-9-18)23(29)27-20-6-4-3-5-7-20/h3-11,21-22,32H,2,12-17H2,1H3,(H,27,29)(H,28,30)/t21-,22-,25+/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)

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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n/an/a 430n/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


Citation and Details
More data for this
Ligand-Target Pair
Tissue inhibitor of metalloproteinases-3


(Rattus norvegicus)
BDBM50291445
PNG
((S)-2-(2-Mercapto-acetylamino)-4-methyl-pentanoic ...)
Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)CS
Show InChI InChI=1S/C20H28N4O3S/c1-12(2)8-16(23-18(25)11-28)20(27)24-17(19(26)21-3)9-13-10-22-15-7-5-4-6-14(13)15/h4-7,10,12,16-17,22,28H,8-9,11H2,1-3H3,(H,21,26)(H,23,25)(H,24,27)/t16-,17-/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


Citation and Details
More data for this
Ligand-Target Pair
Tissue inhibitor of metalloproteinases-3


(Rattus norvegicus)
BDBM50073902
PNG
(4-Ethoxy-1-mercaptomethyl-cyclohexanecarboxylic ac...)
Show SMILES CCO[C@H]1CC[C@](CS)(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccn1
Show InChI InChI=1S/C24H31N3O3S/c1-2-30-19-11-13-24(17-31,14-12-19)23(29)26-20(16-18-8-4-3-5-9-18)22(28)27-21-10-6-7-15-25-21/h3-10,15,19-20,31H,2,11-14,16-17H2,1H3,(H,26,29)(H,25,27,28)/t19-,20-,24+/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)

More data for this
Ligand-Target Pair
Tissue inhibitor of metalloproteinases-3


(Rattus norvegicus)
BDBM50073904
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(C)C
Show InChI InChI=1S/C22H34N2O3S/c1-4-27-18-10-12-22(15-28,13-11-18)21(26)24-19(20(25)23-16(2)3)14-17-8-6-5-7-9-17/h5-9,16,18-19,28H,4,10-15H2,1-3H3,(H,23,25)(H,24,26)/t18-,19-,22+/m0/s1
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n/an/a 568n/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)

More data for this
Ligand-Target Pair
Tissue inhibitor of metalloproteinases-3


(Rattus norvegicus)
BDBM50073882
PNG
(4-Ethoxy-1-mercaptomethyl-cyclohexanecarboxylic ac...)
Show SMILES CCO[C@H]1CC[C@](CS)(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C25H38N2O3S/c1-2-30-21-13-15-25(18-31,16-14-21)24(29)27-22(17-19-9-5-3-6-10-19)23(28)26-20-11-7-4-8-12-20/h3,5-6,9-10,20-22,31H,2,4,7-8,11-18H2,1H3,(H,26,28)(H,27,29)/t21-,22-,25+/m0/s1
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n/an/a 617n/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)

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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n/an/a 640n/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)

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


Citation and Details
More data for this
Ligand-Target Pair
Tissue inhibitor of metalloproteinases-3


(Rattus norvegicus)
BDBM50073890
PNG
(4-Ethoxy-1-mercaptomethyl-cyclohexanecarboxylic ac...)
Show SMILES CCO[C@H]1CC[C@](CS)(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CCCC1
Show InChI InChI=1S/C24H36N2O3S/c1-2-29-20-12-14-24(17-30,15-13-20)23(28)26-21(16-18-8-4-3-5-9-18)22(27)25-19-10-6-7-11-19/h3-5,8-9,19-21,30H,2,6-7,10-17H2,1H3,(H,25,27)(H,26,28)/t20-,21-,24+/m0/s1
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n/an/a 666n/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)

More data for this
Ligand-Target Pair
Tissue inhibitor of metalloproteinases-3


(Rattus norvegicus)
BDBM50291444
PNG
((R)-N-[(S)-2-(1H-Indol-3-yl)-1-methylcarbamoyl-eth...)
Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CSC)NC(=O)CS
Show InChI InChI=1S/C18H24N4O3S2/c1-19-17(24)14(7-11-8-20-13-6-4-3-5-12(11)13)22-18(25)15(10-27-2)21-16(23)9-26/h3-6,8,14-15,20,26H,7,9-10H2,1-2H3,(H,19,24)(H,21,23)(H,22,25)/t14-,15-/m0/s1
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n/an/a 810n/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


Citation and Details
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)

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


Citation and Details
More data for this
Ligand-Target Pair
Tissue inhibitor of metalloproteinases-3


(Rattus norvegicus)
BDBM50073897
PNG
(1-Mercaptomethyl-4-trifluoromethyl-cyclohexanecarb...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@]1(CS)CC[C@@H](CC1)C(F)(F)F
Show InChI InChI=1S/C19H25F3N2O2S/c1-23-16(25)15(11-13-5-3-2-4-6-13)24-17(26)18(12-27)9-7-14(8-10-18)19(20,21)22/h2-6,14-15,27H,7-12H2,1H3,(H,23,25)(H,24,26)/t14-,15-,18+/m0/s1
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n/an/a 4.47E+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)

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


Citation and Details
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)

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)

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)

More data for this
Ligand-Target Pair
Tissue inhibitor of metalloproteinases-3


(Rattus norvegicus)
BDBM50073883
PNG
(4-Ethoxy-1-mercaptomethyl-cyclohexanecarboxylic ac...)
Show SMILES CCO[C@H]1CC[C@](CS)(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C25H32N2O3S/c1-2-30-21-13-15-25(18-31,16-14-21)24(29)27-22(17-19-9-5-3-6-10-19)23(28)26-20-11-7-4-8-12-20/h3-12,21-22,31H,2,13-18H2,1H3,(H,26,28)(H,27,29)/t21-,22-,25+/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)

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)

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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair