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Compile Data Set for Download or QSAR

Found 17 hits with Last Name = 'copeland' and Initial = 'rr'   
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))
BDBM50077790
PNG
((2S,3R,6S)-10-Benzenesulfonyl-4-oxo-3-(3-phenyl-pr...)
Show SMILES CNC(=O)[C@@H]1CCCN(CCCCO[C@@H]([C@@H](CCCc2ccccc2)C(=O)N1)C(=O)NO)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C29H40N4O7S/c1-30-28(35)25-18-11-20-33(41(38,39)23-15-6-3-7-16-23)19-8-9-21-40-26(29(36)32-37)24(27(34)31-25)17-10-14-22-12-4-2-5-13-22/h2-7,12-13,15-16,24-26,37H,8-11,14,17-21H2,1H3,(H,30,35)(H,31,34)(H,32,36)/t24-,25+,26+/m1/s1
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2n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-9(MMP-9)


Bioorg Med Chem Lett 9: 1453-8 (1999)


BindingDB Entry DOI: 10.7270/Q2GQ6WZS
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50077789
PNG
((2S,3R,6S)-4-Oxo-3-(3-phenyl-propyl)-1-oxa-5,10-di...)
Show SMILES CNC(=O)[C@@H]1CCCNCCCCO[C@@H]([C@@H](CCCc2ccccc2)C(=O)N1)C(=O)NO
Show InChI InChI=1S/C23H36N4O5/c1-24-22(29)19-13-8-15-25-14-5-6-16-32-20(23(30)27-31)18(21(28)26-19)12-7-11-17-9-3-2-4-10-17/h2-4,9-10,18-20,25,31H,5-8,11-16H2,1H3,(H,24,29)(H,26,28)(H,27,30)/t18-,19+,20+/m1/s1
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4n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-8(MMP-8)


Bioorg Med Chem Lett 9: 1453-8 (1999)


BindingDB Entry DOI: 10.7270/Q2GQ6WZS
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50077793
PNG
((2S,3R,6S)-10-Acetyl-4-oxo-3-(3-phenyl-propyl)-1-o...)
Show SMILES CNC(=O)[C@@H]1CCCN(CCCCO[C@@H]([C@@H](CCCc2ccccc2)C(=O)N1)C(=O)NO)C(C)=O
Show InChI InChI=1S/C25H38N4O6/c1-18(30)29-15-6-7-17-35-22(25(33)28-34)20(13-8-12-19-10-4-3-5-11-19)23(31)27-21(14-9-16-29)24(32)26-2/h3-5,10-11,20-22,34H,6-9,12-17H2,1-2H3,(H,26,32)(H,27,31)(H,28,33)/t20-,21+,22+/m1/s1
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6n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-9(MMP-9)


Bioorg Med Chem Lett 9: 1453-8 (1999)


BindingDB Entry DOI: 10.7270/Q2GQ6WZS
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50077792
PNG
((2S,3R,6S)-10-Acetyl-12-methyl-4-oxo-3-(3-phenyl-p...)
Show SMILES CNC(=O)[C@@H]1CCCN(CC(C)CO[C@@H]([C@@H](CCCc2ccccc2)C(=O)N1)C(=O)NO)C(C)=O
Show InChI InChI=1S/C25H38N4O6/c1-17-15-29(18(2)30)14-8-13-21(24(32)26-3)27-23(31)20(22(35-16-17)25(33)28-34)12-7-11-19-9-5-4-6-10-19/h4-6,9-10,17,20-22,34H,7-8,11-16H2,1-3H3,(H,26,32)(H,27,31)(H,28,33)/t17?,20-,21+,22+/m1/s1
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7n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-8(MMP-8)


Bioorg Med Chem Lett 9: 1453-8 (1999)


BindingDB Entry DOI: 10.7270/Q2GQ6WZS
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50077791
PNG
((2S,3R,6S)-2-Hydroxycarbamoyl-6-methylcarbamoyl-4-...)
Show SMILES CNC(=O)[C@@H]1CCCN(CCCCO[C@@H]([C@@H](CCCc2ccccc2)C(=O)N1)C(=O)NO)C(=O)OC(C)(C)C
Show InChI InChI=1S/C28H44N4O7/c1-28(2,3)39-27(36)32-17-8-9-19-38-23(26(35)31-37)21(15-10-14-20-12-6-5-7-13-20)24(33)30-22(16-11-18-32)25(34)29-4/h5-7,12-13,21-23,37H,8-11,14-19H2,1-4H3,(H,29,34)(H,30,33)(H,31,35)/t21-,22+,23+/m1/s1
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13n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-8(MMP-8)


Bioorg Med Chem Lett 9: 1453-8 (1999)


BindingDB Entry DOI: 10.7270/Q2GQ6WZS
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50077792
PNG
((2S,3R,6S)-10-Acetyl-12-methyl-4-oxo-3-(3-phenyl-p...)
Show SMILES CNC(=O)[C@@H]1CCCN(CC(C)CO[C@@H]([C@@H](CCCc2ccccc2)C(=O)N1)C(=O)NO)C(C)=O
Show InChI InChI=1S/C25H38N4O6/c1-17-15-29(18(2)30)14-8-13-21(24(32)26-3)27-23(31)20(22(35-16-17)25(33)28-34)12-7-11-19-9-5-4-6-10-19/h4-6,9-10,17,20-22,34H,7-8,11-16H2,1-3H3,(H,26,32)(H,27,31)(H,28,33)/t17?,20-,21+,22+/m1/s1
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13n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-9(MMP-9)


Bioorg Med Chem Lett 9: 1453-8 (1999)


BindingDB Entry DOI: 10.7270/Q2GQ6WZS
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50077791
PNG
((2S,3R,6S)-2-Hydroxycarbamoyl-6-methylcarbamoyl-4-...)
Show SMILES CNC(=O)[C@@H]1CCCN(CCCCO[C@@H]([C@@H](CCCc2ccccc2)C(=O)N1)C(=O)NO)C(=O)OC(C)(C)C
Show InChI InChI=1S/C28H44N4O7/c1-28(2,3)39-27(36)32-17-8-9-19-38-23(26(35)31-37)21(15-10-14-20-12-6-5-7-13-20)24(33)30-22(16-11-18-32)25(34)29-4/h5-7,12-13,21-23,37H,8-11,14-19H2,1-4H3,(H,29,34)(H,30,33)(H,31,35)/t21-,22+,23+/m1/s1
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19n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-9(MMP-9)


Bioorg Med Chem Lett 9: 1453-8 (1999)


BindingDB Entry DOI: 10.7270/Q2GQ6WZS
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50077789
PNG
((2S,3R,6S)-4-Oxo-3-(3-phenyl-propyl)-1-oxa-5,10-di...)
Show SMILES CNC(=O)[C@@H]1CCCNCCCCO[C@@H]([C@@H](CCCc2ccccc2)C(=O)N1)C(=O)NO
Show InChI InChI=1S/C23H36N4O5/c1-24-22(29)19-13-8-15-25-14-5-6-16-32-20(23(30)27-31)18(21(28)26-19)12-7-11-17-9-3-2-4-10-17/h2-4,9-10,18-20,25,31H,5-8,11-16H2,1H3,(H,24,29)(H,26,28)(H,27,30)/t18-,19+,20+/m1/s1
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21n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-9(MMP-9)


Bioorg Med Chem Lett 9: 1453-8 (1999)


BindingDB Entry DOI: 10.7270/Q2GQ6WZS
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50077793
PNG
((2S,3R,6S)-10-Acetyl-4-oxo-3-(3-phenyl-propyl)-1-o...)
Show SMILES CNC(=O)[C@@H]1CCCN(CCCCO[C@@H]([C@@H](CCCc2ccccc2)C(=O)N1)C(=O)NO)C(C)=O
Show InChI InChI=1S/C25H38N4O6/c1-18(30)29-15-6-7-17-35-22(25(33)28-34)20(13-8-12-19-10-4-3-5-11-19)23(31)27-21(14-9-16-29)24(32)26-2/h3-5,10-11,20-22,34H,6-9,12-17H2,1-2H3,(H,26,32)(H,27,31)(H,28,33)/t20-,21+,22+/m1/s1
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38n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-3(MMP-3)


Bioorg Med Chem Lett 9: 1453-8 (1999)


BindingDB Entry DOI: 10.7270/Q2GQ6WZS
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50077790
PNG
((2S,3R,6S)-10-Benzenesulfonyl-4-oxo-3-(3-phenyl-pr...)
Show SMILES CNC(=O)[C@@H]1CCCN(CCCCO[C@@H]([C@@H](CCCc2ccccc2)C(=O)N1)C(=O)NO)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C29H40N4O7S/c1-30-28(35)25-18-11-20-33(41(38,39)23-15-6-3-7-16-23)19-8-9-21-40-26(29(36)32-37)24(27(34)31-25)17-10-14-22-12-4-2-5-13-22/h2-7,12-13,15-16,24-26,37H,8-11,14,17-21H2,1H3,(H,30,35)(H,31,34)(H,32,36)/t24-,25+,26+/m1/s1
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110n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-1(MMP-1)


Bioorg Med Chem Lett 9: 1453-8 (1999)


BindingDB Entry DOI: 10.7270/Q2GQ6WZS
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50077793
PNG
((2S,3R,6S)-10-Acetyl-4-oxo-3-(3-phenyl-propyl)-1-o...)
Show SMILES CNC(=O)[C@@H]1CCCN(CCCCO[C@@H]([C@@H](CCCc2ccccc2)C(=O)N1)C(=O)NO)C(C)=O
Show InChI InChI=1S/C25H38N4O6/c1-18(30)29-15-6-7-17-35-22(25(33)28-34)20(13-8-12-19-10-4-3-5-11-19)23(31)27-21(14-9-16-29)24(32)26-2/h3-5,10-11,20-22,34H,6-9,12-17H2,1-2H3,(H,26,32)(H,27,31)(H,28,33)/t20-,21+,22+/m1/s1
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248n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-1(MMP-1)


Bioorg Med Chem Lett 9: 1453-8 (1999)


BindingDB Entry DOI: 10.7270/Q2GQ6WZS
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50077789
PNG
((2S,3R,6S)-4-Oxo-3-(3-phenyl-propyl)-1-oxa-5,10-di...)
Show SMILES CNC(=O)[C@@H]1CCCNCCCCO[C@@H]([C@@H](CCCc2ccccc2)C(=O)N1)C(=O)NO
Show InChI InChI=1S/C23H36N4O5/c1-24-22(29)19-13-8-15-25-14-5-6-16-32-20(23(30)27-31)18(21(28)26-19)12-7-11-17-9-3-2-4-10-17/h2-4,9-10,18-20,25,31H,5-8,11-16H2,1H3,(H,24,29)(H,26,28)(H,27,30)/t18-,19+,20+/m1/s1
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265n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-3(MMP-3)


Bioorg Med Chem Lett 9: 1453-8 (1999)


BindingDB Entry DOI: 10.7270/Q2GQ6WZS
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50077792
PNG
((2S,3R,6S)-10-Acetyl-12-methyl-4-oxo-3-(3-phenyl-p...)
Show SMILES CNC(=O)[C@@H]1CCCN(CC(C)CO[C@@H]([C@@H](CCCc2ccccc2)C(=O)N1)C(=O)NO)C(C)=O
Show InChI InChI=1S/C25H38N4O6/c1-17-15-29(18(2)30)14-8-13-21(24(32)26-3)27-23(31)20(22(35-16-17)25(33)28-34)12-7-11-19-9-5-4-6-10-19/h4-6,9-10,17,20-22,34H,7-8,11-16H2,1-3H3,(H,26,32)(H,27,31)(H,28,33)/t17?,20-,21+,22+/m1/s1
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267n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-3(MMP-3)


Bioorg Med Chem Lett 9: 1453-8 (1999)


BindingDB Entry DOI: 10.7270/Q2GQ6WZS
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50077791
PNG
((2S,3R,6S)-2-Hydroxycarbamoyl-6-methylcarbamoyl-4-...)
Show SMILES CNC(=O)[C@@H]1CCCN(CCCCO[C@@H]([C@@H](CCCc2ccccc2)C(=O)N1)C(=O)NO)C(=O)OC(C)(C)C
Show InChI InChI=1S/C28H44N4O7/c1-28(2,3)39-27(36)32-17-8-9-19-38-23(26(35)31-37)21(15-10-14-20-12-6-5-7-13-20)24(33)30-22(16-11-18-32)25(34)29-4/h5-7,12-13,21-23,37H,8-11,14-19H2,1-4H3,(H,29,34)(H,30,33)(H,31,35)/t21-,22+,23+/m1/s1
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373n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-3(MMP-3)


Bioorg Med Chem Lett 9: 1453-8 (1999)


BindingDB Entry DOI: 10.7270/Q2GQ6WZS
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50077792
PNG
((2S,3R,6S)-10-Acetyl-12-methyl-4-oxo-3-(3-phenyl-p...)
Show SMILES CNC(=O)[C@@H]1CCCN(CC(C)CO[C@@H]([C@@H](CCCc2ccccc2)C(=O)N1)C(=O)NO)C(C)=O
Show InChI InChI=1S/C25H38N4O6/c1-17-15-29(18(2)30)14-8-13-21(24(32)26-3)27-23(31)20(22(35-16-17)25(33)28-34)12-7-11-19-9-5-4-6-10-19/h4-6,9-10,17,20-22,34H,7-8,11-16H2,1-3H3,(H,26,32)(H,27,31)(H,28,33)/t17?,20-,21+,22+/m1/s1
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440n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-1(MMP-1)


Bioorg Med Chem Lett 9: 1453-8 (1999)


BindingDB Entry DOI: 10.7270/Q2GQ6WZS
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50077789
PNG
((2S,3R,6S)-4-Oxo-3-(3-phenyl-propyl)-1-oxa-5,10-di...)
Show SMILES CNC(=O)[C@@H]1CCCNCCCCO[C@@H]([C@@H](CCCc2ccccc2)C(=O)N1)C(=O)NO
Show InChI InChI=1S/C23H36N4O5/c1-24-22(29)19-13-8-15-25-14-5-6-16-32-20(23(30)27-31)18(21(28)26-19)12-7-11-17-9-3-2-4-10-17/h2-4,9-10,18-20,25,31H,5-8,11-16H2,1H3,(H,24,29)(H,26,28)(H,27,30)/t18-,19+,20+/m1/s1
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496n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-1(MMP-1)


Bioorg Med Chem Lett 9: 1453-8 (1999)


BindingDB Entry DOI: 10.7270/Q2GQ6WZS
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50077791
PNG
((2S,3R,6S)-2-Hydroxycarbamoyl-6-methylcarbamoyl-4-...)
Show SMILES CNC(=O)[C@@H]1CCCN(CCCCO[C@@H]([C@@H](CCCc2ccccc2)C(=O)N1)C(=O)NO)C(=O)OC(C)(C)C
Show InChI InChI=1S/C28H44N4O7/c1-28(2,3)39-27(36)32-17-8-9-19-38-23(26(35)31-37)21(15-10-14-20-12-6-5-7-13-20)24(33)30-22(16-11-18-32)25(34)29-4/h5-7,12-13,21-23,37H,8-11,14-19H2,1-4H3,(H,29,34)(H,30,33)(H,31,35)/t21-,22+,23+/m1/s1
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UniChem

Similars

PubMed
1.07E+3n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-1(MMP-1)


Bioorg Med Chem Lett 9: 1453-8 (1999)


BindingDB Entry DOI: 10.7270/Q2GQ6WZS
More data for this
Ligand-Target Pair