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Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with Target = 'Matrix metalloproteinase 8' 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
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


Citation and Details
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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n/an/a 12n/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


Citation and Details
More data for this
Ligand-Target Pair
Matrix metalloproteinase 8


(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 20n/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


Citation and Details
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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n/an/a 50n/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


Citation and Details
More data for this
Ligand-Target Pair
Matrix metalloproteinase 8


(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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n/an/a 80n/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


Citation and Details
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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n/an/a 480n/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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair