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PubMed code 16392792

Compile data set for download or QSAR
Found 29 hits of Enzyme Inhibition Constant Data   
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 11


(Homo sapiens (Human))
BDBM50138684
PNG
((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-{2-[1-ca...)
Show SMILES NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C39H43N4O6P/c40-37(44)35(24-32-25-41-34-22-11-10-21-33(32)34)42-38(45)31(20-12-19-28-13-4-1-5-14-28)27-50(47,48)36(23-29-15-6-2-7-16-29)43-39(46)49-26-30-17-8-3-9-18-30/h1-11,13-18,21-22,25,31,35-36,41H,12,19-20,23-24,26-27H2,(H2,40,44)(H,42,45)(H,43,46)(H,47,48)
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5n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Binding affinity to MMP11


J Med Chem 49: 51-69 (2006)


Article DOI: 10.1021/jm050363f
BindingDB Entry DOI: 10.7270/Q20K285S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Collagenase


(Homo sapiens (Human))
BDBM50138684
PNG
((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-{2-[1-ca...)
Show SMILES NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C39H43N4O6P/c40-37(44)35(24-32-25-41-34-22-11-10-21-33(32)34)42-38(45)31(20-12-19-28-13-4-1-5-14-28)27-50(47,48)36(23-29-15-6-2-7-16-29)43-39(46)49-26-30-17-8-3-9-18-30/h1-11,13-18,21-22,25,31,35-36,41H,12,19-20,23-24,26-27H2,(H2,40,44)(H,42,45)(H,43,46)(H,47,48)
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10n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Binding affinity to MMP9


J Med Chem 49: 51-69 (2006)


Article DOI: 10.1021/jm050363f
BindingDB Entry DOI: 10.7270/Q20K285S
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50180017
PNG
(14-methylcarbamoyl-2,8-dioxo-3-phenethyl-1,4,9-tri...)
Show SMILES CNC(=O)C1CCCCNC(=O)CCC(NC(CCc2ccccc2)C(=O)N1)C(O)=O
Show InChI InChI=1S/C22H32N4O5/c1-23-20(28)16-9-5-6-14-24-19(27)13-12-18(22(30)31)25-17(21(29)26-16)11-10-15-7-3-2-4-8-15/h2-4,7-8,16-18,25H,5-6,9-14H2,1H3,(H,23,28)(H,24,27)(H,26,29)(H,30,31)
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17n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Binding affinity to MMP8


J Med Chem 49: 51-69 (2006)


Article DOI: 10.1021/jm050363f
BindingDB Entry DOI: 10.7270/Q20K285S
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50138684
PNG
((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-{2-[1-ca...)
Show SMILES NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C39H43N4O6P/c40-37(44)35(24-32-25-41-34-22-11-10-21-33(32)34)42-38(45)31(20-12-19-28-13-4-1-5-14-28)27-50(47,48)36(23-29-15-6-2-7-16-29)43-39(46)49-26-30-17-8-3-9-18-30/h1-11,13-18,21-22,25,31,35-36,41H,12,19-20,23-24,26-27H2,(H2,40,44)(H,42,45)(H,43,46)(H,47,48)
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20n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Binding affinity to MMP2


J Med Chem 49: 51-69 (2006)


Article DOI: 10.1021/jm050363f
BindingDB Entry DOI: 10.7270/Q20K285S
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50138684
PNG
((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-{2-[1-ca...)
Show SMILES NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C39H43N4O6P/c40-37(44)35(24-32-25-41-34-22-11-10-21-33(32)34)42-38(45)31(20-12-19-28-13-4-1-5-14-28)27-50(47,48)36(23-29-15-6-2-7-16-29)43-39(46)49-26-30-17-8-3-9-18-30/h1-11,13-18,21-22,25,31,35-36,41H,12,19-20,23-24,26-27H2,(H2,40,44)(H,42,45)(H,43,46)(H,47,48)
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105n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Binding affinity to MMP14


J Med Chem 49: 51-69 (2006)


Article DOI: 10.1021/jm050363f
BindingDB Entry DOI: 10.7270/Q20K285S
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50180017
PNG
(14-methylcarbamoyl-2,8-dioxo-3-phenethyl-1,4,9-tri...)
Show SMILES CNC(=O)C1CCCCNC(=O)CCC(NC(CCc2ccccc2)C(=O)N1)C(O)=O
Show InChI InChI=1S/C22H32N4O5/c1-23-20(28)16-9-5-6-14-24-19(27)13-12-18(22(30)31)25-17(21(29)26-16)11-10-15-7-3-2-4-8-15/h2-4,7-8,16-18,25H,5-6,9-14H2,1H3,(H,23,28)(H,24,27)(H,26,29)(H,30,31)
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2.50E+3n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Binding affinity to MMP1


J Med Chem 49: 51-69 (2006)


Article DOI: 10.1021/jm050363f
BindingDB Entry DOI: 10.7270/Q20K285S
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50180017
PNG
(14-methylcarbamoyl-2,8-dioxo-3-phenethyl-1,4,9-tri...)
Show SMILES CNC(=O)C1CCCCNC(=O)CCC(NC(CCc2ccccc2)C(=O)N1)C(O)=O
Show InChI InChI=1S/C22H32N4O5/c1-23-20(28)16-9-5-6-14-24-19(27)13-12-18(22(30)31)25-17(21(29)26-16)11-10-15-7-3-2-4-8-15/h2-4,7-8,16-18,25H,5-6,9-14H2,1H3,(H,23,28)(H,24,27)(H,26,29)(H,30,31)
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2.90E+3n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Binding affinity to MMP3


J Med Chem 49: 51-69 (2006)


Article DOI: 10.1021/jm050363f
BindingDB Entry DOI: 10.7270/Q20K285S
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50180017
PNG
(14-methylcarbamoyl-2,8-dioxo-3-phenethyl-1,4,9-tri...)
Show SMILES CNC(=O)C1CCCCNC(=O)CCC(NC(CCc2ccccc2)C(=O)N1)C(O)=O
Show InChI InChI=1S/C22H32N4O5/c1-23-20(28)16-9-5-6-14-24-19(27)13-12-18(22(30)31)25-17(21(29)26-16)11-10-15-7-3-2-4-8-15/h2-4,7-8,16-18,25H,5-6,9-14H2,1H3,(H,23,28)(H,24,27)(H,26,29)(H,30,31)
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6.60E+3n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Binding affinity to MMP9


J Med Chem 49: 51-69 (2006)


Article DOI: 10.1021/jm050363f
BindingDB Entry DOI: 10.7270/Q20K285S
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50180017
PNG
(14-methylcarbamoyl-2,8-dioxo-3-phenethyl-1,4,9-tri...)
Show SMILES CNC(=O)C1CCCCNC(=O)CCC(NC(CCc2ccccc2)C(=O)N1)C(O)=O
Show InChI InChI=1S/C22H32N4O5/c1-23-20(28)16-9-5-6-14-24-19(27)13-12-18(22(30)31)25-17(21(29)26-16)11-10-15-7-3-2-4-8-15/h2-4,7-8,16-18,25H,5-6,9-14H2,1H3,(H,23,28)(H,24,27)(H,26,29)(H,30,31)
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8.10E+3n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Binding affinity to MMP2


J Med Chem 49: 51-69 (2006)


Article DOI: 10.1021/jm050363f
BindingDB Entry DOI: 10.7270/Q20K285S
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50104001
PNG
(4-(benzylthio)-N-hydroxy-2-(N-isobutyl-4-methoxyph...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C(CCSCc1ccccc1)C(=O)NO
Show InChI InChI=1S/C22H30N2O5S2/c1-17(2)15-24(31(27,28)20-11-9-19(29-3)10-12-20)21(22(25)23-26)13-14-30-16-18-7-5-4-6-8-18/h4-12,17,21,26H,13-16H2,1-3H3,(H,23,25)
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n/an/a<0.100n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Binding affinity to MMP9


J Med Chem 49: 51-69 (2006)


Article DOI: 10.1021/jm050363f
BindingDB Entry DOI: 10.7270/Q20K285S
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50104001
PNG
(4-(benzylthio)-N-hydroxy-2-(N-isobutyl-4-methoxyph...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C(CCSCc1ccccc1)C(=O)NO
Show InChI InChI=1S/C22H30N2O5S2/c1-17(2)15-24(31(27,28)20-11-9-19(29-3)10-12-20)21(22(25)23-26)13-14-30-16-18-7-5-4-6-8-18/h4-12,17,21,26H,13-16H2,1-3H3,(H,23,25)
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n/an/a 0.700n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Binding affinity to MMP2


J Med Chem 49: 51-69 (2006)


Article DOI: 10.1021/jm050363f
BindingDB Entry DOI: 10.7270/Q20K285S
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50104001
PNG
(4-(benzylthio)-N-hydroxy-2-(N-isobutyl-4-methoxyph...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C(CCSCc1ccccc1)C(=O)NO
Show InChI InChI=1S/C22H30N2O5S2/c1-17(2)15-24(31(27,28)20-11-9-19(29-3)10-12-20)21(22(25)23-26)13-14-30-16-18-7-5-4-6-8-18/h4-12,17,21,26H,13-16H2,1-3H3,(H,23,25)
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n/an/a 0.700n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Binding affinity to MMP3


J Med Chem 49: 51-69 (2006)


Article DOI: 10.1021/jm050363f
BindingDB Entry DOI: 10.7270/Q20K285S
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50138684
PNG
((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-{2-[1-ca...)
Show SMILES NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C39H43N4O6P/c40-37(44)35(24-32-25-41-34-22-11-10-21-33(32)34)42-38(45)31(20-12-19-28-13-4-1-5-14-28)27-50(47,48)36(23-29-15-6-2-7-16-29)43-39(46)49-26-30-17-8-3-9-18-30/h1-11,13-18,21-22,25,31,35-36,41H,12,19-20,23-24,26-27H2,(H2,40,44)(H,42,45)(H,43,46)(H,47,48)
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n/an/a 2.5n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Binding affinity to MMP8


J Med Chem 49: 51-69 (2006)


Article DOI: 10.1021/jm050363f
BindingDB Entry DOI: 10.7270/Q20K285S
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50180016
PNG
((S)-2-((4-(4-bromobenzamido)phenylsulfonyl)methyl)...)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)CS(=O)(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C25H21BrN2O5S/c26-19-7-5-16(6-8-19)24(29)28-20-9-11-21(12-10-20)34(32,33)15-18(25(30)31)13-17-14-27-23-4-2-1-3-22(17)23/h1-12,14,18,27H,13,15H2,(H,28,29)(H,30,31)/t18-/m1/s1
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n/an/a 2.60n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Binding affinity to MMP2


J Med Chem 49: 51-69 (2006)


Article DOI: 10.1021/jm050363f
BindingDB Entry DOI: 10.7270/Q20K285S
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50180016
PNG
((S)-2-((4-(4-bromobenzamido)phenylsulfonyl)methyl)...)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)CS(=O)(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C25H21BrN2O5S/c26-19-7-5-16(6-8-19)24(29)28-20-9-11-21(12-10-20)34(32,33)15-18(25(30)31)13-17-14-27-23-4-2-1-3-22(17)23/h1-12,14,18,27H,13,15H2,(H,28,29)(H,30,31)/t18-/m1/s1
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n/an/a 2.70n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Binding affinity to MMP9


J Med Chem 49: 51-69 (2006)


Article DOI: 10.1021/jm050363f
BindingDB Entry DOI: 10.7270/Q20K285S
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50180019
PNG
(2-[2-(4'-chloro-biphenyl-4-yl)-ethanesulfonyl]-1,2...)
Show SMILES OC(=O)C1Cc2ccccc2CN1S(=O)(=O)CCc1ccc(cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H22ClNO4S/c25-22-11-9-19(10-12-22)18-7-5-17(6-8-18)13-14-31(29,30)26-16-21-4-2-1-3-20(21)15-23(26)24(27)28/h1-12,23H,13-16H2,(H,27,28)
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n/an/a 10n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Binding affinity to MMP8


J Med Chem 49: 51-69 (2006)


Article DOI: 10.1021/jm050363f
BindingDB Entry DOI: 10.7270/Q20K285S
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50104001
PNG
(4-(benzylthio)-N-hydroxy-2-(N-isobutyl-4-methoxyph...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C(CCSCc1ccccc1)C(=O)NO
Show InChI InChI=1S/C22H30N2O5S2/c1-17(2)15-24(31(27,28)20-11-9-19(29-3)10-12-20)21(22(25)23-26)13-14-30-16-18-7-5-4-6-8-18/h4-12,17,21,26H,13-16H2,1-3H3,(H,23,25)
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n/an/a 12n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Binding affinity to MMP13


J Med Chem 49: 51-69 (2006)


Article DOI: 10.1021/jm050363f
BindingDB Entry DOI: 10.7270/Q20K285S
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50180018
PNG
((S)-2,N*1*-Dihydroxy-3-isobutyl-N*4*-((S)-2-oxo-az...)
Show SMILES CC(C)CC([C@H](O)C(=O)NO)C(=O)N[C@H]1CCCCCCCCCCNC1=O
Show InChI InChI=1S/C20H37N3O5/c1-14(2)13-15(17(24)20(27)23-28)18(25)22-16-11-9-7-5-3-4-6-8-10-12-21-19(16)26/h14-17,24,28H,3-13H2,1-2H3,(H,21,26)(H,22,25)(H,23,27)/t15?,16-,17-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Binding affinity to MMP2


J Med Chem 49: 51-69 (2006)


Article DOI: 10.1021/jm050363f
BindingDB Entry DOI: 10.7270/Q20K285S
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50180019
PNG
(2-[2-(4'-chloro-biphenyl-4-yl)-ethanesulfonyl]-1,2...)
Show SMILES OC(=O)C1Cc2ccccc2CN1S(=O)(=O)CCc1ccc(cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H22ClNO4S/c25-22-11-9-19(10-12-22)18-7-5-17(6-8-18)13-14-31(29,30)26-16-21-4-2-1-3-20(21)15-23(26)24(27)28/h1-12,23H,13-16H2,(H,27,28)
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n/an/a 20n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Binding affinity to MMP13


J Med Chem 49: 51-69 (2006)


Article DOI: 10.1021/jm050363f
BindingDB Entry DOI: 10.7270/Q20K285S
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50180019
PNG
(2-[2-(4'-chloro-biphenyl-4-yl)-ethanesulfonyl]-1,2...)
Show SMILES OC(=O)C1Cc2ccccc2CN1S(=O)(=O)CCc1ccc(cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H22ClNO4S/c25-22-11-9-19(10-12-22)18-7-5-17(6-8-18)13-14-31(29,30)26-16-21-4-2-1-3-20(21)15-23(26)24(27)28/h1-12,23H,13-16H2,(H,27,28)
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n/an/a 20n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Binding affinity to MMP3


J Med Chem 49: 51-69 (2006)


Article DOI: 10.1021/jm050363f
BindingDB Entry DOI: 10.7270/Q20K285S
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50180018
PNG
((S)-2,N*1*-Dihydroxy-3-isobutyl-N*4*-((S)-2-oxo-az...)
Show SMILES CC(C)CC([C@H](O)C(=O)NO)C(=O)N[C@H]1CCCCCCCCCCNC1=O
Show InChI InChI=1S/C20H37N3O5/c1-14(2)13-15(17(24)20(27)23-28)18(25)22-16-11-9-7-5-3-4-6-8-10-12-21-19(16)26/h14-17,24,28H,3-13H2,1-2H3,(H,21,26)(H,22,25)(H,23,27)/t15?,16-,17-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Binding affinity to MMP8


J Med Chem 49: 51-69 (2006)


Article DOI: 10.1021/jm050363f
BindingDB Entry DOI: 10.7270/Q20K285S
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50180018
PNG
((S)-2,N*1*-Dihydroxy-3-isobutyl-N*4*-((S)-2-oxo-az...)
Show SMILES CC(C)CC([C@H](O)C(=O)NO)C(=O)N[C@H]1CCCCCCCCCCNC1=O
Show InChI InChI=1S/C20H37N3O5/c1-14(2)13-15(17(24)20(27)23-28)18(25)22-16-11-9-7-5-3-4-6-8-10-12-21-19(16)26/h14-17,24,28H,3-13H2,1-2H3,(H,21,26)(H,22,25)(H,23,27)/t15?,16-,17-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Binding affinity to MMP1


J Med Chem 49: 51-69 (2006)


Article DOI: 10.1021/jm050363f
BindingDB Entry DOI: 10.7270/Q20K285S
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50104001
PNG
(4-(benzylthio)-N-hydroxy-2-(N-isobutyl-4-methoxyph...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C(CCSCc1ccccc1)C(=O)NO
Show InChI InChI=1S/C22H30N2O5S2/c1-17(2)15-24(31(27,28)20-11-9-19(29-3)10-12-20)21(22(25)23-26)13-14-30-16-18-7-5-4-6-8-18/h4-12,17,21,26H,13-16H2,1-3H3,(H,23,25)
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n/an/a 104n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Binding affinity to MMP1


J Med Chem 49: 51-69 (2006)


Article DOI: 10.1021/jm050363f
BindingDB Entry DOI: 10.7270/Q20K285S
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50180018
PNG
((S)-2,N*1*-Dihydroxy-3-isobutyl-N*4*-((S)-2-oxo-az...)
Show SMILES CC(C)CC([C@H](O)C(=O)NO)C(=O)N[C@H]1CCCCCCCCCCNC1=O
Show InChI InChI=1S/C20H37N3O5/c1-14(2)13-15(17(24)20(27)23-28)18(25)22-16-11-9-7-5-3-4-6-8-10-12-21-19(16)26/h14-17,24,28H,3-13H2,1-2H3,(H,21,26)(H,22,25)(H,23,27)/t15?,16-,17-/m0/s1
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n/an/a 200n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Binding affinity to MMP7


J Med Chem 49: 51-69 (2006)


Article DOI: 10.1021/jm050363f
BindingDB Entry DOI: 10.7270/Q20K285S
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50180018
PNG
((S)-2,N*1*-Dihydroxy-3-isobutyl-N*4*-((S)-2-oxo-az...)
Show SMILES CC(C)CC([C@H](O)C(=O)NO)C(=O)N[C@H]1CCCCCCCCCCNC1=O
Show InChI InChI=1S/C20H37N3O5/c1-14(2)13-15(17(24)20(27)23-28)18(25)22-16-11-9-7-5-3-4-6-8-10-12-21-19(16)26/h14-17,24,28H,3-13H2,1-2H3,(H,21,26)(H,22,25)(H,23,27)/t15?,16-,17-/m0/s1
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n/an/a 500n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Binding affinity to MMP3


J Med Chem 49: 51-69 (2006)


Article DOI: 10.1021/jm050363f
BindingDB Entry DOI: 10.7270/Q20K285S
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50180016
PNG
((S)-2-((4-(4-bromobenzamido)phenylsulfonyl)methyl)...)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)CS(=O)(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C25H21BrN2O5S/c26-19-7-5-16(6-8-19)24(29)28-20-9-11-21(12-10-20)34(32,33)15-18(25(30)31)13-17-14-27-23-4-2-1-3-22(17)23/h1-12,14,18,27H,13,15H2,(H,28,29)(H,30,31)/t18-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Binding affinity to MMP7


J Med Chem 49: 51-69 (2006)


Article DOI: 10.1021/jm050363f
BindingDB Entry DOI: 10.7270/Q20K285S
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50180016
PNG
((S)-2-((4-(4-bromobenzamido)phenylsulfonyl)methyl)...)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)CS(=O)(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C25H21BrN2O5S/c26-19-7-5-16(6-8-19)24(29)28-20-9-11-21(12-10-20)34(32,33)15-18(25(30)31)13-17-14-27-23-4-2-1-3-22(17)23/h1-12,14,18,27H,13,15H2,(H,28,29)(H,30,31)/t18-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Binding affinity to MMP1


J Med Chem 49: 51-69 (2006)


Article DOI: 10.1021/jm050363f
BindingDB Entry DOI: 10.7270/Q20K285S
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50180016
PNG
((S)-2-((4-(4-bromobenzamido)phenylsulfonyl)methyl)...)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)CS(=O)(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C25H21BrN2O5S/c26-19-7-5-16(6-8-19)24(29)28-20-9-11-21(12-10-20)34(32,33)15-18(25(30)31)13-17-14-27-23-4-2-1-3-22(17)23/h1-12,14,18,27H,13,15H2,(H,28,29)(H,30,31)/t18-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Binding affinity to MMP3


J Med Chem 49: 51-69 (2006)


Article DOI: 10.1021/jm050363f
BindingDB Entry DOI: 10.7270/Q20K285S
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50180019
PNG
(2-[2-(4'-chloro-biphenyl-4-yl)-ethanesulfonyl]-1,2...)
Show SMILES OC(=O)C1Cc2ccccc2CN1S(=O)(=O)CCc1ccc(cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H22ClNO4S/c25-22-11-9-19(10-12-22)18-7-5-17(6-8-18)13-14-31(29,30)26-16-21-4-2-1-3-20(21)15-23(26)24(27)28/h1-12,23H,13-16H2,(H,27,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Binding affinity to MMP1


J Med Chem 49: 51-69 (2006)


Article DOI: 10.1021/jm050363f
BindingDB Entry DOI: 10.7270/Q20K285S
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%