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32 similar compounds to monomer 120212

Compile data set for download or QSAR
Wt: 430.4
BDBM92448
Wt: 507.5
BDBM120182
Wt: 533.3
BDBM120183
Wt: 439.5
BDBM120192
Wt: 482.5
BDBM120195
Wt: 469.4
BDBM120196
Wt: 517.5
BDBM120197
Wt: 425.4
BDBM120198
Wt: 441.4
BDBM120200
Wt: 467.5
BDBM120201
Wt: 480.5
BDBM120202
Wt: 498.5
BDBM120204
Wt: 499.5
BDBM120205
Wt: 527.5
BDBM120207
Wt: 517.9
BDBM120208
Displayed 1 to 15 (of 32 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 124 hits for monomerid = 92448,120182,120183,120192,120195,120196,120197,120198,120200,120201,120202,120204,120205,120207,120208   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM92448
PNG
(Inhibitor, 18)
Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C26H26N2O4/c27-26(32)23(15-17-25(30)31)28-24(29)16-8-18-6-9-20(10-7-18)22-13-11-21(12-14-22)19-4-2-1-3-5-19/h1-7,9-14,23H,8,15-17H2,(H2,27,32)(H,28,29)(H,30,31)/t23-/m0/s1
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3.30 -11.6n/an/an/an/an/a6.825



Commissariat á l'Energie Atomique



Assay Description
Enzyme assay using human matrix metalloproteases or ADAMTS.


J Biol Chem 287: 26647-56 (2012)


Article DOI: 10.1074/jbc.M112.380782
BindingDB Entry DOI: 10.7270/Q2H993SB
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM92448
PNG
(Inhibitor, 18)
Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C26H26N2O4/c27-26(32)23(15-17-25(30)31)28-24(29)16-8-18-6-9-20(10-7-18)22-13-11-21(12-14-22)19-4-2-1-3-5-19/h1-7,9-14,23H,8,15-17H2,(H2,27,32)(H,28,29)(H,30,31)/t23-/m0/s1
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18 -10.6n/an/an/an/an/a6.825



Commissariat á l'Energie Atomique



Assay Description
Enzyme assay using human matrix metalloproteases or ADAMTS.


J Biol Chem 287: 26647-56 (2012)


Article DOI: 10.1074/jbc.M112.380782
BindingDB Entry DOI: 10.7270/Q2H993SB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM120192
PNG
(US8691753, 40)
Show SMILES CC[C@H](NC(=O)CCc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(N)=O
Show InChI InChI=1S/C24H29N3O5/c1-2-19(24(32)27-20(23(25)31)13-15-22(29)30)26-21(28)14-10-16-8-11-18(12-9-16)17-6-4-3-5-7-17/h3-9,11-12,19-20H,2,10,13-15H2,1H3,(H2,25,31)(H,26,28)(H,27,32)(H,29,30)/t19-,20-/m0/s1
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18.6n/an/an/an/an/an/an/an/a



Commissariat A l'Energie Atomique et Aux Energies Alternatives

US Patent


Assay Description
The inhibition tests and the evaluation of the inhibition constants (Ki) on the various MMPs were carried out as described by Devel et al. (Devel et ...


US Patent US8691753 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z5Q
More data for this
Ligand-Target Pair
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM120196
PNG
(US8691753, 45)
Show SMILES NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C24H27N3O7/c25-23(33)19(14-22(31)32)27-24(34)18(11-13-21(29)30)26-20(28)12-8-15-6-9-17(10-7-15)16-4-2-1-3-5-16/h1-7,9-10,18-19H,8,11-14H2,(H2,25,33)(H,26,28)(H,27,34)(H,29,30)(H,31,32)/t18-,19-/m0/s1
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37n/an/an/an/an/an/an/an/a



Commissariat A l'Energie Atomique et Aux Energies Alternatives

US Patent


Assay Description
The inhibition tests and the evaluation of the inhibition constants (Ki) on the various MMPs were carried out as described by Devel et al. (Devel et ...


US Patent US8691753 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z5Q
More data for this
Ligand-Target Pair
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM120200
PNG
(US8691753, 49)
Show SMILES NC(=O)[C@H](CO)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C23H27N3O6/c24-22(31)19(14-27)26-23(32)18(11-13-21(29)30)25-20(28)12-8-15-6-9-17(10-7-15)16-4-2-1-3-5-16/h1-7,9-10,18-19,27H,8,11-14H2,(H2,24,31)(H,25,28)(H,26,32)(H,29,30)/t18-,19-/m0/s1
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41n/an/an/an/an/an/an/an/a



Commissariat A l'Energie Atomique et Aux Energies Alternatives

US Patent


Assay Description
The inhibition tests and the evaluation of the inhibition constants (Ki) on the various MMPs were carried out as described by Devel et al. (Devel et ...


US Patent US8691753 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z5Q
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM92448
PNG
(Inhibitor, 18)
Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C26H26N2O4/c27-26(32)23(15-17-25(30)31)28-24(29)16-8-18-6-9-20(10-7-18)22-13-11-21(12-14-22)19-4-2-1-3-5-19/h1-7,9-14,23H,8,15-17H2,(H2,27,32)(H,28,29)(H,30,31)/t23-/m0/s1
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47 -9.99n/an/an/an/an/a6.825



Commissariat á l'Energie Atomique



Assay Description
Enzyme assay using human matrix metalloproteases or ADAMTS.


J Biol Chem 287: 26647-56 (2012)


Article DOI: 10.1074/jbc.M112.380782
BindingDB Entry DOI: 10.7270/Q2H993SB
More data for this
Ligand-Target Pair
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM120197
PNG
(US8691753, 46)
Show SMILES NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H31N3O6/c30-28(37)25(18-20-8-13-23(33)14-9-20)32-29(38)24(15-17-27(35)36)31-26(34)16-10-19-6-11-22(12-7-19)21-4-2-1-3-5-21/h1-9,11-14,24-25,33H,10,15-18H2,(H2,30,37)(H,31,34)(H,32,38)(H,35,36)/t24-,25-/m0/s1
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52n/an/an/an/an/an/an/an/a



Commissariat A l'Energie Atomique et Aux Energies Alternatives

US Patent


Assay Description
The inhibition tests and the evaluation of the inhibition constants (Ki) on the various MMPs were carried out as described by Devel et al. (Devel et ...


US Patent US8691753 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z5Q
More data for this
Ligand-Target Pair
Matrix metalloproteinase 10


(Homo sapiens (Human))
BDBM92448
PNG
(Inhibitor, 18)
Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C26H26N2O4/c27-26(32)23(15-17-25(30)31)28-24(29)16-8-18-6-9-20(10-7-18)22-13-11-21(12-14-22)19-4-2-1-3-5-19/h1-7,9-14,23H,8,15-17H2,(H2,27,32)(H,28,29)(H,30,31)/t23-/m0/s1
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54 -9.91n/an/an/an/an/a6.825



Commissariat á l'Energie Atomique



Assay Description
Enzyme assay using human matrix metalloproteases or ADAMTS.


J Biol Chem 287: 26647-56 (2012)


Article DOI: 10.1074/jbc.M112.380782
BindingDB Entry DOI: 10.7270/Q2H993SB
More data for this
Ligand-Target Pair
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM120208
PNG
(US8691753, 57)
Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1cccc(Cl)c1
Show InChI InChI=1S/C25H28ClN3O7/c26-18-3-1-2-17(14-18)16-7-4-15(5-8-16)6-11-21(30)28-20(10-13-23(33)34)25(36)29-19(24(27)35)9-12-22(31)32/h1-5,7-8,14,19-20H,6,9-13H2,(H2,27,35)(H,28,30)(H,29,36)(H,31,32)(H,33,34)/t19-,20-/m0/s1
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57n/an/an/an/an/an/an/an/a



Commissariat A l'Energie Atomique et Aux Energies Alternatives

US Patent


Assay Description
The inhibition tests and the evaluation of the inhibition constants (Ki) on the various MMPs were carried out as described by Devel et al. (Devel et ...


US Patent US8691753 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z5Q
More data for this
Ligand-Target Pair
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM120198
PNG
(US8691753, 47)
Show SMILES C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccccc1)C(N)=O
Show InChI InChI=1S/C23H27N3O5/c1-15(22(24)30)25-23(31)19(12-14-21(28)29)26-20(27)13-9-16-7-10-18(11-8-16)17-5-3-2-4-6-17/h2-8,10-11,15,19H,9,12-14H2,1H3,(H2,24,30)(H,25,31)(H,26,27)(H,28,29)/t15-,19-/m0/s1
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58n/an/an/an/an/an/an/an/a



Commissariat A l'Energie Atomique et Aux Energies Alternatives

US Patent


Assay Description
The inhibition tests and the evaluation of the inhibition constants (Ki) on the various MMPs were carried out as described by Devel et al. (Devel et ...


US Patent US8691753 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z5Q
More data for this
Ligand-Target Pair
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM120201
PNG
(US8691753, 50)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccccc1)C(N)=O
Show InChI InChI=1S/C26H33N3O5/c1-17(2)16-22(25(27)33)29-26(34)21(13-15-24(31)32)28-23(30)14-10-18-8-11-20(12-9-18)19-6-4-3-5-7-19/h3-9,11-12,17,21-22H,10,13-16H2,1-2H3,(H2,27,33)(H,28,30)(H,29,34)(H,31,32)/t21-,22-/m0/s1
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76n/an/an/an/an/an/an/an/a



Commissariat A l'Energie Atomique et Aux Energies Alternatives

US Patent


Assay Description
The inhibition tests and the evaluation of the inhibition constants (Ki) on the various MMPs were carried out as described by Devel et al. (Devel et ...


US Patent US8691753 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z5Q
More data for this
Ligand-Target Pair
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM120207
PNG
(US8691753, 56)
Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1cccc(c1)C(O)=O
Show InChI InChI=1S/C26H29N3O9/c27-24(35)19(9-12-22(31)32)29-25(36)20(10-13-23(33)34)28-21(30)11-6-15-4-7-16(8-5-15)17-2-1-3-18(14-17)26(37)38/h1-5,7-8,14,19-20H,6,9-13H2,(H2,27,35)(H,28,30)(H,29,36)(H,31,32)(H,33,34)(H,37,38)/t19-,20-/m0/s1
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91n/an/an/an/an/an/an/an/a



Commissariat A l'Energie Atomique et Aux Energies Alternatives

US Patent


Assay Description
The inhibition tests and the evaluation of the inhibition constants (Ki) on the various MMPs were carried out as described by Devel et al. (Devel et ...


US Patent US8691753 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z5Q
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM92448
PNG
(Inhibitor, 18)
Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C26H26N2O4/c27-26(32)23(15-17-25(30)31)28-24(29)16-8-18-6-9-20(10-7-18)22-13-11-21(12-14-22)19-4-2-1-3-5-19/h1-7,9-14,23H,8,15-17H2,(H2,27,32)(H,28,29)(H,30,31)/t23-/m0/s1
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103 -9.53n/an/an/an/an/a6.825



Commissariat á l'Energie Atomique



Assay Description
Enzyme assay using human matrix metalloproteases or ADAMTS.


J Biol Chem 287: 26647-56 (2012)


Article DOI: 10.1074/jbc.M112.380782
BindingDB Entry DOI: 10.7270/Q2H993SB
More data for this
Ligand-Target Pair
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM120195
PNG
(US8691753, 44)
Show SMILES NCCCC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccccc1)C(N)=O
Show InChI InChI=1S/C26H34N4O5/c27-17-5-4-8-21(25(28)34)30-26(35)22(14-16-24(32)33)29-23(31)15-11-18-9-12-20(13-10-18)19-6-2-1-3-7-19/h1-3,6-7,9-10,12-13,21-22H,4-5,8,11,14-17,27H2,(H2,28,34)(H,29,31)(H,30,35)(H,32,33)/t21-,22-/m0/s1
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119n/an/an/an/an/an/an/an/a



Commissariat A l'Energie Atomique et Aux Energies Alternatives

US Patent


Assay Description
The inhibition tests and the evaluation of the inhibition constants (Ki) on the various MMPs were carried out as described by Devel et al. (Devel et ...


US Patent US8691753 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z5Q
More data for this
Ligand-Target Pair
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM120182
PNG
(US8691753, 30)
Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)C#Cc1ccccc1
Show InChI InChI=1S/C27H29N3O7/c28-26(36)21(13-16-24(32)33)30-27(37)22(14-17-25(34)35)29-23(31)15-12-20-10-8-19(9-11-20)7-6-18-4-2-1-3-5-18/h1-5,8-11,21-22H,12-17H2,(H2,28,36)(H,29,31)(H,30,37)(H,32,33)(H,34,35)/t21-,22-/m0/s1
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154n/an/an/an/an/an/an/an/a



Commissariat A l'Energie Atomique et Aux Energies Alternatives

US Patent


Assay Description
The inhibition tests and the evaluation of the inhibition constants (Ki) on the various MMPs were carried out as described by Devel et al. (Devel et ...


US Patent US8691753 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z5Q
More data for this
Ligand-Target Pair
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM120183
PNG
(US8691753, 31)
Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(I)cc1
Show InChI InChI=1S/C19H24IN3O7/c20-12-4-1-11(2-5-12)3-8-15(24)22-14(7-10-17(27)28)19(30)23-13(18(21)29)6-9-16(25)26/h1-2,4-5,13-14H,3,6-10H2,(H2,21,29)(H,22,24)(H,23,30)(H,25,26)(H,27,28)/t13-,14-/m0/s1
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155n/an/an/an/an/an/an/an/a



Commissariat A l'Energie Atomique et Aux Energies Alternatives

US Patent


Assay Description
The inhibition tests and the evaluation of the inhibition constants (Ki) on the various MMPs were carried out as described by Devel et al. (Devel et ...


US Patent US8691753 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z5Q
More data for this
Ligand-Target Pair
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM120205
PNG
(US8691753, 54)
Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1cccc(O)c1
Show InChI InChI=1S/C25H29N3O8/c26-24(35)19(9-12-22(31)32)28-25(36)20(10-13-23(33)34)27-21(30)11-6-15-4-7-16(8-5-15)17-2-1-3-18(29)14-17/h1-5,7-8,14,19-20,29H,6,9-13H2,(H2,26,35)(H,27,30)(H,28,36)(H,31,32)(H,33,34)/t19-,20-/m0/s1
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176n/an/an/an/an/an/an/an/a



Commissariat A l'Energie Atomique et Aux Energies Alternatives

US Patent


Assay Description
The inhibition tests and the evaluation of the inhibition constants (Ki) on the various MMPs were carried out as described by Devel et al. (Devel et ...


US Patent US8691753 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z5Q
More data for this
Ligand-Target Pair
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM120204
PNG
(US8691753, 53)
Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1cccc(N)c1
Show InChI InChI=1S/C25H30N4O7/c26-18-3-1-2-17(14-18)16-7-4-15(5-8-16)6-11-21(30)28-20(10-13-23(33)34)25(36)29-19(24(27)35)9-12-22(31)32/h1-5,7-8,14,19-20H,6,9-13,26H2,(H2,27,35)(H,28,30)(H,29,36)(H,31,32)(H,33,34)/t19-,20-/m0/s1
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190n/an/an/an/an/an/an/an/a



Commissariat A l'Energie Atomique et Aux Energies Alternatives

US Patent


Assay Description
The inhibition tests and the evaluation of the inhibition constants (Ki) on the various MMPs were carried out as described by Devel et al. (Devel et ...


US Patent US8691753 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z5Q
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM120200
PNG
(US8691753, 49)
Show SMILES NC(=O)[C@H](CO)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C23H27N3O6/c24-22(31)19(14-27)26-23(32)18(11-13-21(29)30)25-20(28)12-8-15-6-9-17(10-7-15)16-4-2-1-3-5-16/h1-7,9-10,18-19,27H,8,11-14H2,(H2,24,31)(H,25,28)(H,26,32)(H,29,30)/t18-,19-/m0/s1
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204n/an/an/an/an/an/an/an/a



Commissariat A l'Energie Atomique et Aux Energies Alternatives

US Patent


Assay Description
The inhibition tests and the evaluation of the inhibition constants (Ki) on the various MMPs were carried out as described by Devel et al. (Devel et ...


US Patent US8691753 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z5Q
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM92448
PNG
(Inhibitor, 18)
Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C26H26N2O4/c27-26(32)23(15-17-25(30)31)28-24(29)16-8-18-6-9-20(10-7-18)22-13-11-21(12-14-22)19-4-2-1-3-5-19/h1-7,9-14,23H,8,15-17H2,(H2,27,32)(H,28,29)(H,30,31)/t23-/m0/s1
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205 -9.12n/an/an/an/an/a6.825



Commissariat á l'Energie Atomique



Assay Description
Enzyme assay using human matrix metalloproteases or ADAMTS.


J Biol Chem 287: 26647-56 (2012)


Article DOI: 10.1074/jbc.M112.380782
BindingDB Entry DOI: 10.7270/Q2H993SB
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM120192
PNG
(US8691753, 40)
Show SMILES CC[C@H](NC(=O)CCc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(N)=O
Show InChI InChI=1S/C24H29N3O5/c1-2-19(24(32)27-20(23(25)31)13-15-22(29)30)26-21(28)14-10-16-8-11-18(12-9-16)17-6-4-3-5-7-17/h3-9,11-12,19-20H,2,10,13-15H2,1H3,(H2,25,31)(H,26,28)(H,27,32)(H,29,30)/t19-,20-/m0/s1
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226n/an/an/an/an/an/an/an/a



Commissariat A l'Energie Atomique et Aux Energies Alternatives

US Patent


Assay Description
The inhibition tests and the evaluation of the inhibition constants (Ki) on the various MMPs were carried out as described by Devel et al. (Devel et ...


US Patent US8691753 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z5Q
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM120196
PNG
(US8691753, 45)
Show SMILES NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C24H27N3O7/c25-23(33)19(14-22(31)32)27-24(34)18(11-13-21(29)30)26-20(28)12-8-15-6-9-17(10-7-15)16-4-2-1-3-5-16/h1-7,9-10,18-19H,8,11-14H2,(H2,25,33)(H,26,28)(H,27,34)(H,29,30)(H,31,32)/t18-,19-/m0/s1
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233n/an/an/an/an/an/an/an/a



Commissariat A l'Energie Atomique et Aux Energies Alternatives

US Patent


Assay Description
The inhibition tests and the evaluation of the inhibition constants (Ki) on the various MMPs were carried out as described by Devel et al. (Devel et ...


US Patent US8691753 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z5Q
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM120182
PNG
(US8691753, 30)
Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)C#Cc1ccccc1
Show InChI InChI=1S/C27H29N3O7/c28-26(36)21(13-16-24(32)33)30-27(37)22(14-17-25(34)35)29-23(31)15-12-20-10-8-19(9-11-20)7-6-18-4-2-1-3-5-18/h1-5,8-11,21-22H,12-17H2,(H2,28,36)(H,29,31)(H,30,37)(H,32,33)(H,34,35)/t21-,22-/m0/s1
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235n/an/an/an/an/an/an/an/a



Commissariat A l'Energie Atomique et Aux Energies Alternatives

US Patent


Assay Description
The inhibition tests and the evaluation of the inhibition constants (Ki) on the various MMPs were carried out as described by Devel et al. (Devel et ...


US Patent US8691753 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z5Q
More data for this
Ligand-Target Pair
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM120202
PNG
(US8691753, 51)
Show SMILES OC(=O)CC[C@H](NC(=O)CCc1ccc(cc1)-c1ccccc1)C(=O)N1CCCC(CC(O)=O)C1
Show InChI InChI=1S/C27H32N2O6/c30-24(14-10-19-8-11-22(12-9-19)21-6-2-1-3-7-21)28-23(13-15-25(31)32)27(35)29-16-4-5-20(18-29)17-26(33)34/h1-3,6-9,11-12,20,23H,4-5,10,13-18H2,(H,28,30)(H,31,32)(H,33,34)/t20?,23-/m0/s1
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259n/an/an/an/an/an/an/an/a



Commissariat A l'Energie Atomique et Aux Energies Alternatives

US Patent


Assay Description
The inhibition tests and the evaluation of the inhibition constants (Ki) on the various MMPs were carried out as described by Devel et al. (Devel et ...


US Patent US8691753 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z5Q
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM120197
PNG
(US8691753, 46)
Show SMILES NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H31N3O6/c30-28(37)25(18-20-8-13-23(33)14-9-20)32-29(38)24(15-17-27(35)36)31-26(34)16-10-19-6-11-22(12-7-19)21-4-2-1-3-5-21/h1-9,11-14,24-25,33H,10,15-18H2,(H2,30,37)(H,31,34)(H,32,38)(H,35,36)/t24-,25-/m0/s1
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270n/an/an/an/an/an/an/an/a



Commissariat A l'Energie Atomique et Aux Energies Alternatives

US Patent


Assay Description
The inhibition tests and the evaluation of the inhibition constants (Ki) on the various MMPs were carried out as described by Devel et al. (Devel et ...


US Patent US8691753 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z5Q
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM120198
PNG
(US8691753, 47)
Show SMILES C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccccc1)C(N)=O
Show InChI InChI=1S/C23H27N3O5/c1-15(22(24)30)25-23(31)19(12-14-21(28)29)26-20(27)13-9-16-7-10-18(11-8-16)17-5-3-2-4-6-17/h2-8,10-11,15,19H,9,12-14H2,1H3,(H2,24,30)(H,25,31)(H,26,27)(H,28,29)/t15-,19-/m0/s1
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311n/an/an/an/an/an/an/an/a



Commissariat A l'Energie Atomique et Aux Energies Alternatives

US Patent


Assay Description
The inhibition tests and the evaluation of the inhibition constants (Ki) on the various MMPs were carried out as described by Devel et al. (Devel et ...


US Patent US8691753 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z5Q
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM120201
PNG
(US8691753, 50)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccccc1)C(N)=O
Show InChI InChI=1S/C26H33N3O5/c1-17(2)16-22(25(27)33)29-26(34)21(13-15-24(31)32)28-23(30)14-10-18-8-11-20(12-9-18)19-6-4-3-5-7-19/h3-9,11-12,17,21-22H,10,13-16H2,1-2H3,(H2,27,33)(H,28,30)(H,29,34)(H,31,32)/t21-,22-/m0/s1
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364n/an/an/an/an/an/an/an/a



Commissariat A l'Energie Atomique et Aux Energies Alternatives

US Patent


Assay Description
The inhibition tests and the evaluation of the inhibition constants (Ki) on the various MMPs were carried out as described by Devel et al. (Devel et ...


US Patent US8691753 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z5Q
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM92448
PNG
(Inhibitor, 18)
Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C26H26N2O4/c27-26(32)23(15-17-25(30)31)28-24(29)16-8-18-6-9-20(10-7-18)22-13-11-21(12-14-22)19-4-2-1-3-5-19/h1-7,9-14,23H,8,15-17H2,(H2,27,32)(H,28,29)(H,30,31)/t23-/m0/s1
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406 -8.71n/an/an/an/an/a6.825



Commissariat á l'Energie Atomique



Assay Description
Enzyme assay using human matrix metalloproteases or ADAMTS.


J Biol Chem 287: 26647-56 (2012)


Article DOI: 10.1074/jbc.M112.380782
BindingDB Entry DOI: 10.7270/Q2H993SB
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM120195
PNG
(US8691753, 44)
Show SMILES NCCCC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccccc1)C(N)=O
Show InChI InChI=1S/C26H34N4O5/c27-17-5-4-8-21(25(28)34)30-26(35)22(14-16-24(32)33)29-23(31)15-11-18-9-12-20(13-10-18)19-6-2-1-3-7-19/h1-3,6-7,9-10,12-13,21-22H,4-5,8,11,14-17,27H2,(H2,28,34)(H,29,31)(H,30,35)(H,32,33)/t21-,22-/m0/s1
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414n/an/an/an/an/an/an/an/a



Commissariat A l'Energie Atomique et Aux Energies Alternatives

US Patent


Assay Description
The inhibition tests and the evaluation of the inhibition constants (Ki) on the various MMPs were carried out as described by Devel et al. (Devel et ...


US Patent US8691753 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z5Q
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM120192
PNG
(US8691753, 40)
Show SMILES CC[C@H](NC(=O)CCc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(N)=O
Show InChI InChI=1S/C24H29N3O5/c1-2-19(24(32)27-20(23(25)31)13-15-22(29)30)26-21(28)14-10-16-8-11-18(12-9-16)17-6-4-3-5-7-17/h3-9,11-12,19-20H,2,10,13-15H2,1H3,(H2,25,31)(H,26,28)(H,27,32)(H,29,30)/t19-,20-/m0/s1
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445n/an/an/an/an/an/an/an/a



Commissariat A l'Energie Atomique et Aux Energies Alternatives

US Patent


Assay Description
The inhibition tests and the evaluation of the inhibition constants (Ki) on the various MMPs were carried out as described by Devel et al. (Devel et ...


US Patent US8691753 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z5Q
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM120182
PNG
(US8691753, 30)
Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)C#Cc1ccccc1
Show InChI InChI=1S/C27H29N3O7/c28-26(36)21(13-16-24(32)33)30-27(37)22(14-17-25(34)35)29-23(31)15-12-20-10-8-19(9-11-20)7-6-18-4-2-1-3-5-18/h1-5,8-11,21-22H,12-17H2,(H2,28,36)(H,29,31)(H,30,37)(H,32,33)(H,34,35)/t21-,22-/m0/s1
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598n/an/an/an/an/an/an/an/a



Commissariat A l'Energie Atomique et Aux Energies Alternatives

US Patent


Assay Description
The inhibition tests and the evaluation of the inhibition constants (Ki) on the various MMPs were carried out as described by Devel et al. (Devel et ...


US Patent US8691753 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z5Q
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM120197
PNG
(US8691753, 46)
Show SMILES NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H31N3O6/c30-28(37)25(18-20-8-13-23(33)14-9-20)32-29(38)24(15-17-27(35)36)31-26(34)16-10-19-6-11-22(12-7-19)21-4-2-1-3-5-21/h1-9,11-14,24-25,33H,10,15-18H2,(H2,30,37)(H,31,34)(H,32,38)(H,35,36)/t24-,25-/m0/s1
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632n/an/an/an/an/an/an/an/a



Commissariat A l'Energie Atomique et Aux Energies Alternatives

US Patent


Assay Description
The inhibition tests and the evaluation of the inhibition constants (Ki) on the various MMPs were carried out as described by Devel et al. (Devel et ...


US Patent US8691753 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z5Q
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM120192
PNG
(US8691753, 40)
Show SMILES CC[C@H](NC(=O)CCc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(N)=O
Show InChI InChI=1S/C24H29N3O5/c1-2-19(24(32)27-20(23(25)31)13-15-22(29)30)26-21(28)14-10-16-8-11-18(12-9-16)17-6-4-3-5-7-17/h3-9,11-12,19-20H,2,10,13-15H2,1H3,(H2,25,31)(H,26,28)(H,27,32)(H,29,30)/t19-,20-/m0/s1
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689n/an/an/an/an/an/an/an/a



Commissariat A l'Energie Atomique et Aux Energies Alternatives

US Patent


Assay Description
The inhibition tests and the evaluation of the inhibition constants (Ki) on the various MMPs were carried out as described by Devel et al. (Devel et ...


US Patent US8691753 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z5Q
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM120200
PNG
(US8691753, 49)
Show SMILES NC(=O)[C@H](CO)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C23H27N3O6/c24-22(31)19(14-27)26-23(32)18(11-13-21(29)30)25-20(28)12-8-15-6-9-17(10-7-15)16-4-2-1-3-5-16/h1-7,9-10,18-19,27H,8,11-14H2,(H2,24,31)(H,25,28)(H,26,32)(H,29,30)/t18-,19-/m0/s1
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790n/an/an/an/an/an/an/an/a



Commissariat A l'Energie Atomique et Aux Energies Alternatives

US Patent


Assay Description
The inhibition tests and the evaluation of the inhibition constants (Ki) on the various MMPs were carried out as described by Devel et al. (Devel et ...


US Patent US8691753 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z5Q
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM120182
PNG
(US8691753, 30)
Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)C#Cc1ccccc1
Show InChI InChI=1S/C27H29N3O7/c28-26(36)21(13-16-24(32)33)30-27(37)22(14-17-25(34)35)29-23(31)15-12-20-10-8-19(9-11-20)7-6-18-4-2-1-3-5-18/h1-5,8-11,21-22H,12-17H2,(H2,28,36)(H,29,31)(H,30,37)(H,32,33)(H,34,35)/t21-,22-/m0/s1
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818n/an/an/an/an/an/an/an/a



Commissariat A l'Energie Atomique et Aux Energies Alternatives

US Patent


Assay Description
The inhibition tests and the evaluation of the inhibition constants (Ki) on the various MMPs were carried out as described by Devel et al. (Devel et ...


US Patent US8691753 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z5Q
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM120183
PNG
(US8691753, 31)
Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(I)cc1
Show InChI InChI=1S/C19H24IN3O7/c20-12-4-1-11(2-5-12)3-8-15(24)22-14(7-10-17(27)28)19(30)23-13(18(21)29)6-9-16(25)26/h1-2,4-5,13-14H,3,6-10H2,(H2,21,29)(H,22,24)(H,23,30)(H,25,26)(H,27,28)/t13-,14-/m0/s1
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839n/an/an/an/an/an/an/an/a



Commissariat A l'Energie Atomique et Aux Energies Alternatives

US Patent


Assay Description
The inhibition tests and the evaluation of the inhibition constants (Ki) on the various MMPs were carried out as described by Devel et al. (Devel et ...


US Patent US8691753 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z5Q
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM120196
PNG
(US8691753, 45)
Show SMILES NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C24H27N3O7/c25-23(33)19(14-22(31)32)27-24(34)18(11-13-21(29)30)26-20(28)12-8-15-6-9-17(10-7-15)16-4-2-1-3-5-16/h1-7,9-10,18-19H,8,11-14H2,(H2,25,33)(H,26,28)(H,27,34)(H,29,30)(H,31,32)/t18-,19-/m0/s1
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896n/an/an/an/an/an/an/an/a



Commissariat A l'Energie Atomique et Aux Energies Alternatives

US Patent


Assay Description
The inhibition tests and the evaluation of the inhibition constants (Ki) on the various MMPs were carried out as described by Devel et al. (Devel et ...


US Patent US8691753 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z5Q
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM120202
PNG
(US8691753, 51)
Show SMILES OC(=O)CC[C@H](NC(=O)CCc1ccc(cc1)-c1ccccc1)C(=O)N1CCCC(CC(O)=O)C1
Show InChI InChI=1S/C27H32N2O6/c30-24(14-10-19-8-11-22(12-9-19)21-6-2-1-3-7-21)28-23(13-15-25(31)32)27(35)29-16-4-5-20(18-29)17-26(33)34/h1-3,6-9,11-12,20,23H,4-5,10,13-18H2,(H,28,30)(H,31,32)(H,33,34)/t20?,23-/m0/s1
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929n/an/an/an/an/an/an/an/a



Commissariat A l'Energie Atomique et Aux Energies Alternatives

US Patent


Assay Description
The inhibition tests and the evaluation of the inhibition constants (Ki) on the various MMPs were carried out as described by Devel et al. (Devel et ...


US Patent US8691753 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z5Q
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM120182
PNG
(US8691753, 30)
Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)C#Cc1ccccc1
Show InChI InChI=1S/C27H29N3O7/c28-26(36)21(13-16-24(32)33)30-27(37)22(14-17-25(34)35)29-23(31)15-12-20-10-8-19(9-11-20)7-6-18-4-2-1-3-5-18/h1-5,8-11,21-22H,12-17H2,(H2,28,36)(H,29,31)(H,30,37)(H,32,33)(H,34,35)/t21-,22-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Commissariat A l'Energie Atomique et Aux Energies Alternatives

US Patent


Assay Description
The inhibition tests and the evaluation of the inhibition constants (Ki) on the various MMPs were carried out as described by Devel et al. (Devel et ...


US Patent US8691753 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z5Q
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM120183
PNG
(US8691753, 31)
Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(I)cc1
Show InChI InChI=1S/C19H24IN3O7/c20-12-4-1-11(2-5-12)3-8-15(24)22-14(7-10-17(27)28)19(30)23-13(18(21)29)6-9-16(25)26/h1-2,4-5,13-14H,3,6-10H2,(H2,21,29)(H,22,24)(H,23,30)(H,25,26)(H,27,28)/t13-,14-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Commissariat A l'Energie Atomique et Aux Energies Alternatives

US Patent


Assay Description
The inhibition tests and the evaluation of the inhibition constants (Ki) on the various MMPs were carried out as described by Devel et al. (Devel et ...


US Patent US8691753 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z5Q
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM120195
PNG
(US8691753, 44)
Show SMILES NCCCC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccccc1)C(N)=O
Show InChI InChI=1S/C26H34N4O5/c27-17-5-4-8-21(25(28)34)30-26(35)22(14-16-24(32)33)29-23(31)15-11-18-9-12-20(13-10-18)19-6-2-1-3-7-19/h1-3,6-7,9-10,12-13,21-22H,4-5,8,11,14-17,27H2,(H2,28,34)(H,29,31)(H,30,35)(H,32,33)/t21-,22-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Commissariat A l'Energie Atomique et Aux Energies Alternatives

US Patent


Assay Description
The inhibition tests and the evaluation of the inhibition constants (Ki) on the various MMPs were carried out as described by Devel et al. (Devel et ...


US Patent US8691753 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z5Q
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM120198
PNG
(US8691753, 47)
Show SMILES C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccccc1)C(N)=O
Show InChI InChI=1S/C23H27N3O5/c1-15(22(24)30)25-23(31)19(12-14-21(28)29)26-20(27)13-9-16-7-10-18(11-8-16)17-5-3-2-4-6-17/h2-8,10-11,15,19H,9,12-14H2,1H3,(H2,24,30)(H,25,31)(H,26,27)(H,28,29)/t15-,19-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Commissariat A l'Energie Atomique et Aux Energies Alternatives

US Patent


Assay Description
The inhibition tests and the evaluation of the inhibition constants (Ki) on the various MMPs were carried out as described by Devel et al. (Devel et ...


US Patent US8691753 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z5Q
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM120201
PNG
(US8691753, 50)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccccc1)C(N)=O
Show InChI InChI=1S/C26H33N3O5/c1-17(2)16-22(25(27)33)29-26(34)21(13-15-24(31)32)28-23(30)14-10-18-8-11-20(12-9-18)19-6-4-3-5-7-19/h3-9,11-12,17,21-22H,10,13-16H2,1-2H3,(H2,27,33)(H,28,30)(H,29,34)(H,31,32)/t21-,22-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Commissariat A l'Energie Atomique et Aux Energies Alternatives

US Patent


Assay Description
The inhibition tests and the evaluation of the inhibition constants (Ki) on the various MMPs were carried out as described by Devel et al. (Devel et ...


US Patent US8691753 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z5Q
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM120202
PNG
(US8691753, 51)
Show SMILES OC(=O)CC[C@H](NC(=O)CCc1ccc(cc1)-c1ccccc1)C(=O)N1CCCC(CC(O)=O)C1
Show InChI InChI=1S/C27H32N2O6/c30-24(14-10-19-8-11-22(12-9-19)21-6-2-1-3-7-21)28-23(13-15-25(31)32)27(35)29-16-4-5-20(18-29)17-26(33)34/h1-3,6-9,11-12,20,23H,4-5,10,13-18H2,(H,28,30)(H,31,32)(H,33,34)/t20?,23-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Commissariat A l'Energie Atomique et Aux Energies Alternatives

US Patent


Assay Description
The inhibition tests and the evaluation of the inhibition constants (Ki) on the various MMPs were carried out as described by Devel et al. (Devel et ...


US Patent US8691753 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z5Q
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM120204
PNG
(US8691753, 53)
Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1cccc(N)c1
Show InChI InChI=1S/C25H30N4O7/c26-18-3-1-2-17(14-18)16-7-4-15(5-8-16)6-11-21(30)28-20(10-13-23(33)34)25(36)29-19(24(27)35)9-12-22(31)32/h1-5,7-8,14,19-20H,6,9-13,26H2,(H2,27,35)(H,28,30)(H,29,36)(H,31,32)(H,33,34)/t19-,20-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Commissariat A l'Energie Atomique et Aux Energies Alternatives

US Patent


Assay Description
The inhibition tests and the evaluation of the inhibition constants (Ki) on the various MMPs were carried out as described by Devel et al. (Devel et ...


US Patent US8691753 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z5Q
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM120208
PNG
(US8691753, 57)
Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1cccc(Cl)c1
Show InChI InChI=1S/C25H28ClN3O7/c26-18-3-1-2-17(14-18)16-7-4-15(5-8-16)6-11-21(30)28-20(10-13-23(33)34)25(36)29-19(24(27)35)9-12-22(31)32/h1-5,7-8,14,19-20H,6,9-13H2,(H2,27,35)(H,28,30)(H,29,36)(H,31,32)(H,33,34)/t19-,20-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Commissariat A l'Energie Atomique et Aux Energies Alternatives

US Patent


Assay Description
The inhibition tests and the evaluation of the inhibition constants (Ki) on the various MMPs were carried out as described by Devel et al. (Devel et ...


US Patent US8691753 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z5Q
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM120182
PNG
(US8691753, 30)
Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)C#Cc1ccccc1
Show InChI InChI=1S/C27H29N3O7/c28-26(36)21(13-16-24(32)33)30-27(37)22(14-17-25(34)35)29-23(31)15-12-20-10-8-19(9-11-20)7-6-18-4-2-1-3-5-18/h1-5,8-11,21-22H,12-17H2,(H2,28,36)(H,29,31)(H,30,37)(H,32,33)(H,34,35)/t21-,22-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Commissariat A l'Energie Atomique et Aux Energies Alternatives

US Patent


Assay Description
The inhibition tests and the evaluation of the inhibition constants (Ki) on the various MMPs were carried out as described by Devel et al. (Devel et ...


US Patent US8691753 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z5Q
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM120204
PNG
(US8691753, 53)
Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1cccc(N)c1
Show InChI InChI=1S/C25H30N4O7/c26-18-3-1-2-17(14-18)16-7-4-15(5-8-16)6-11-21(30)28-20(10-13-23(33)34)25(36)29-19(24(27)35)9-12-22(31)32/h1-5,7-8,14,19-20H,6,9-13,26H2,(H2,27,35)(H,28,30)(H,29,36)(H,31,32)(H,33,34)/t19-,20-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Commissariat A l'Energie Atomique et Aux Energies Alternatives

US Patent


Assay Description
The inhibition tests and the evaluation of the inhibition constants (Ki) on the various MMPs were carried out as described by Devel et al. (Devel et ...


US Patent US8691753 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z5Q
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM120204
PNG
(US8691753, 53)
Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1cccc(N)c1
Show InChI InChI=1S/C25H30N4O7/c26-18-3-1-2-17(14-18)16-7-4-15(5-8-16)6-11-21(30)28-20(10-13-23(33)34)25(36)29-19(24(27)35)9-12-22(31)32/h1-5,7-8,14,19-20H,6,9-13,26H2,(H2,27,35)(H,28,30)(H,29,36)(H,31,32)(H,33,34)/t19-,20-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Commissariat A l'Energie Atomique et Aux Energies Alternatives

US Patent


Assay Description
The inhibition tests and the evaluation of the inhibition constants (Ki) on the various MMPs were carried out as described by Devel et al. (Devel et ...


US Patent US8691753 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z5Q
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM120205
PNG
(US8691753, 54)
Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1cccc(O)c1
Show InChI InChI=1S/C25H29N3O8/c26-24(35)19(9-12-22(31)32)28-25(36)20(10-13-23(33)34)27-21(30)11-6-15-4-7-16(8-5-15)17-2-1-3-18(29)14-17/h1-5,7-8,14,19-20,29H,6,9-13H2,(H2,26,35)(H,27,30)(H,28,36)(H,31,32)(H,33,34)/t19-,20-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Commissariat A l'Energie Atomique et Aux Energies Alternatives

US Patent


Assay Description
The inhibition tests and the evaluation of the inhibition constants (Ki) on the various MMPs were carried out as described by Devel et al. (Devel et ...


US Patent US8691753 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z5Q
More data for this
Ligand-Target Pair
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