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13 similar compounds to monomer 92447

Wt: 436.5
BDBM92449
Wt: 436.5
BDBM92445
Wt: 489.5
BDBM120231
Wt: 488.5
BDBM120232
Wt: 488.6
BDBM120233
Wt: 431.5
BDBM120236
Wt: 447.5
BDBM120238
Wt: 473.5
BDBM120239
Wt: 486.5
BDBM120240
Wt: 503.5
BDBM120242
Wt: 565.6
BDBM120243
Wt: 503.5
BDBM120245
Wt: 503.5
BDBM120257

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 120 hits for monomerid = 92449,92445,120231,120232,120233,120236,120238,120239,120240,120242,120243,120245,120257   
Target
(Institution)
LigandTarget
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))
BDBM120242
PNG
(US8691753, 91)
Show SMILES Cc1ccc(s1)-c1ccc(CCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(N)=O)cc1
Show InChI InChI=1S/C24H29N3O7S/c1-14-2-10-19(35-14)16-6-3-15(4-7-16)5-11-20(28)26-18(9-13-22(31)32)24(34)27-17(23(25)33)8-12-21(29)30/h2-4,6-7,10,17-18H,5,8-9,11-13H2,1H3,(H2,25,33)(H,26,28)(H,27,34)(H,29,30)(H,31,32)/t17-,18-/m0/s1
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1.84n/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)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM120243
PNG
(US8691753, 92)
Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccc(s1)-c1ccccc1
Show InChI InChI=1S/C29H31N3O7S/c30-28(38)21(11-16-26(34)35)32-29(39)22(12-17-27(36)37)31-25(33)15-8-18-6-9-20(10-7-18)24-14-13-23(40-24)19-4-2-1-3-5-19/h1-7,9-10,13-14,21-22H,8,11-12,15-17H2,(H2,30,38)(H,31,33)(H,32,39)(H,34,35)(H,36,37)/t21-,22-/m0/s1
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2.58n/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)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM92449
PNG
(Inhibitor, 19)
Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccc(s1)-c1ccccc1
Show InChI InChI=1S/C24H24N2O4S/c25-24(30)19(11-15-23(28)29)26-22(27)14-8-16-6-9-18(10-7-16)21-13-12-20(31-21)17-4-2-1-3-5-17/h1-7,9-10,12-13,19H,8,11,14-15H2,(H2,25,30)(H,26,27)(H,28,29)/t19-/m0/s1
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Article
PubMed
2.90 -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)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM92445
PNG
(Inhibitor, 10 | US8691753, 105)
Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1cc(cs1)-c1ccccc1
Show InChI InChI=1S/C24H24N2O4S/c25-24(30)20(11-13-23(28)29)26-22(27)12-8-16-6-9-18(10-7-16)21-14-19(15-31-21)17-4-2-1-3-5-17/h1-7,9-10,14-15,20H,8,11-13H2,(H2,25,30)(H,26,27)(H,28,29)/t20-/m0/s1
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3.60 -11.5n/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)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM92445
PNG
(Inhibitor, 10 | US8691753, 105)
Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1cc(cs1)-c1ccccc1
Show InChI InChI=1S/C24H24N2O4S/c25-24(30)20(11-13-23(28)29)26-22(27)12-8-16-6-9-18(10-7-16)21-14-19(15-31-21)17-4-2-1-3-5-17/h1-7,9-10,14-15,20H,8,11-13H2,(H2,25,30)(H,26,27)(H,28,29)/t20-/m0/s1
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3.65n/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)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM120231
PNG
(US8691753, 80)
Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C23H27N3O7S/c24-22(32)16(8-11-20(28)29)26-23(33)17(9-12-21(30)31)25-19(27)10-5-14-3-6-15(7-4-14)18-2-1-13-34-18/h1-4,6-7,13,16-17H,5,8-12H2,(H2,24,32)(H,25,27)(H,26,33)(H,28,29)(H,30,31)/t16-,17-/m0/s1
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8.60n/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)

More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM120242
PNG
(US8691753, 91)
Show SMILES Cc1ccc(s1)-c1ccc(CCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(N)=O)cc1
Show InChI InChI=1S/C24H29N3O7S/c1-14-2-10-19(35-14)16-6-3-15(4-7-16)5-11-20(28)26-18(9-13-22(31)32)24(34)27-17(23(25)33)8-12-21(29)30/h2-4,6-7,10,17-18H,5,8-9,11-13H2,1H3,(H2,25,33)(H,26,28)(H,27,34)(H,29,30)(H,31,32)/t17-,18-/m0/s1
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10.3n/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)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM120238
PNG
(US8691753, 87)
Show SMILES NC(=O)[C@H](CO)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C21H25N3O6S/c22-20(29)16(12-25)24-21(30)15(8-10-19(27)28)23-18(26)9-5-13-3-6-14(7-4-13)17-2-1-11-31-17/h1-4,6-7,11,15-16,25H,5,8-10,12H2,(H2,22,29)(H,23,26)(H,24,30)(H,27,28)/t15-,16-/m0/s1
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16.4n/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)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM120232
PNG
(US8691753, 81)
Show SMILES NC(=O)CC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1cccs1)C(N)=O
Show InChI InChI=1S/C23H28N4O6S/c24-19(28)10-8-16(22(25)32)27-23(33)17(9-12-21(30)31)26-20(29)11-5-14-3-6-15(7-4-14)18-2-1-13-34-18/h1-4,6-7,13,16-17H,5,8-12H2,(H2,24,28)(H2,25,32)(H,26,29)(H,27,33)(H,30,31)/t16-,17-/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)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM120245
PNG
(US8691753, 94)
Show SMILES Cc1csc(c1)-c1ccc(CCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(N)=O)cc1
Show InChI InChI=1S/C24H29N3O7S/c1-14-12-19(35-13-14)16-5-2-15(3-6-16)4-9-20(28)26-18(8-11-22(31)32)24(34)27-17(23(25)33)7-10-21(29)30/h2-3,5-6,12-13,17-18H,4,7-11H2,1H3,(H2,25,33)(H,26,28)(H,27,34)(H,29,30)(H,31,32)/t17-,18-/m0/s1
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22n/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)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM120236
PNG
(US8691753, 85)
Show SMILES C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1cccs1)C(N)=O
Show InChI InChI=1S/C21H25N3O5S/c1-13(20(22)28)23-21(29)16(9-11-19(26)27)24-18(25)10-6-14-4-7-15(8-5-14)17-3-2-12-30-17/h2-5,7-8,12-13,16H,6,9-11H2,1H3,(H2,22,28)(H,23,29)(H,24,25)(H,26,27)/t13-,16-/m0/s1
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25.6n/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)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM120239
PNG
(US8691753, 88)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1cccs1)C(N)=O
Show InChI InChI=1S/C24H31N3O5S/c1-15(2)14-19(23(25)31)27-24(32)18(10-12-22(29)30)26-21(28)11-7-16-5-8-17(9-6-16)20-4-3-13-33-20/h3-6,8-9,13,15,18-19H,7,10-12,14H2,1-2H3,(H2,25,31)(H,26,28)(H,27,32)(H,29,30)/t18-,19-/m0/s1
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32n/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)

More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM120231
PNG
(US8691753, 80)
Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C23H27N3O7S/c24-22(32)16(8-11-20(28)29)26-23(33)17(9-12-21(30)31)25-19(27)10-5-14-3-6-15(7-4-14)18-2-1-13-34-18/h1-4,6-7,13,16-17H,5,8-12H2,(H2,24,32)(H,25,27)(H,26,33)(H,28,29)(H,30,31)/t16-,17-/m0/s1
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40n/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)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM120233
PNG
(US8691753, 82)
Show SMILES NCCCC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1cccs1)C(N)=O
Show InChI InChI=1S/C24H32N4O5S/c25-14-2-1-4-18(23(26)32)28-24(33)19(11-13-22(30)31)27-21(29)12-8-16-6-9-17(10-7-16)20-5-3-15-34-20/h3,5-7,9-10,15,18-19H,1-2,4,8,11-14,25H2,(H2,26,32)(H,27,29)(H,28,33)(H,30,31)/t18-,19-/m0/s1
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44n/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)

More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM120238
PNG
(US8691753, 87)
Show SMILES NC(=O)[C@H](CO)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C21H25N3O6S/c22-20(29)16(12-25)24-21(30)15(8-10-19(27)28)23-18(26)9-5-13-3-6-14(7-4-13)17-2-1-11-31-17/h1-4,6-7,11,15-16,25H,5,8-10,12H2,(H2,22,29)(H,23,26)(H,24,30)(H,27,28)/t15-,16-/m0/s1
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47n/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)

More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM120232
PNG
(US8691753, 81)
Show SMILES NC(=O)CC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1cccs1)C(N)=O
Show InChI InChI=1S/C23H28N4O6S/c24-19(28)10-8-16(22(25)32)27-23(33)17(9-12-21(30)31)26-20(29)11-5-14-3-6-15(7-4-14)18-2-1-13-34-18/h1-4,6-7,13,16-17H,5,8-12H2,(H2,24,28)(H2,25,32)(H,26,29)(H,27,33)(H,30,31)/t16-,17-/m0/s1
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48n/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)

More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM120236
PNG
(US8691753, 85)
Show SMILES C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1cccs1)C(N)=O
Show InChI InChI=1S/C21H25N3O5S/c1-13(20(22)28)23-21(29)16(9-11-19(26)27)24-18(25)10-6-14-4-7-15(8-5-14)17-3-2-12-30-17/h2-5,7-8,12-13,16H,6,9-11H2,1H3,(H2,22,28)(H,23,29)(H,24,25)(H,26,27)/t13-,16-/m0/s1
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62n/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)

More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM120233
PNG
(US8691753, 82)
Show SMILES NCCCC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1cccs1)C(N)=O
Show InChI InChI=1S/C24H32N4O5S/c25-14-2-1-4-18(23(26)32)28-24(33)19(11-13-22(30)31)27-21(29)12-8-16-6-9-17(10-7-16)20-5-3-15-34-20/h3,5-7,9-10,15,18-19H,1-2,4,8,11-14,25H2,(H2,26,32)(H,27,29)(H,28,33)(H,30,31)/t18-,19-/m0/s1
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73n/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)

More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM120239
PNG
(US8691753, 88)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1cccs1)C(N)=O
Show InChI InChI=1S/C24H31N3O5S/c1-15(2)14-19(23(25)31)27-24(32)18(10-12-22(29)30)26-21(28)11-7-16-5-8-17(9-6-16)20-4-3-13-33-20/h3-6,8-9,13,15,18-19H,7,10-12,14H2,1-2H3,(H2,25,31)(H,26,28)(H,27,32)(H,29,30)/t18-,19-/m0/s1
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73n/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)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM120257
PNG
(US8691753, 107)
Show SMILES Cc1ccsc1-c1ccc(CCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(N)=O)cc1
Show InChI InChI=1S/C24H29N3O7S/c1-14-12-13-35-22(14)16-5-2-15(3-6-16)4-9-19(28)26-18(8-11-21(31)32)24(34)27-17(23(25)33)7-10-20(29)30/h2-3,5-6,12-13,17-18H,4,7-11H2,1H3,(H2,25,33)(H,26,28)(H,27,34)(H,29,30)(H,31,32)/t17-,18-/m0/s1
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84n/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)

More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM92449
PNG
(Inhibitor, 19)
Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccc(s1)-c1ccccc1
Show InChI InChI=1S/C24H24N2O4S/c25-24(30)19(11-15-23(28)29)26-22(27)14-8-16-6-9-18(10-7-16)21-13-12-20(31-21)17-4-2-1-3-5-17/h1-7,9-10,12-13,19H,8,11,14-15H2,(H2,25,30)(H,26,27)(H,28,29)/t19-/m0/s1
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92 -9.59n/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)

More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM120240
PNG
(US8691753, 89)
Show SMILES OC(=O)CC[C@H](NC(=O)CCc1ccc(cc1)-c1cccs1)C(=O)N1CCCC(CC(O)=O)C1
Show InChI InChI=1S/C25H30N2O6S/c28-22(11-7-17-5-8-19(9-6-17)21-4-2-14-34-21)26-20(10-12-23(29)30)25(33)27-13-1-3-18(16-27)15-24(31)32/h2,4-6,8-9,14,18,20H,1,3,7,10-13,15-16H2,(H,26,28)(H,29,30)(H,31,32)/t18?,20-/m0/s1
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94n/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)

More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM120242
PNG
(US8691753, 91)
Show SMILES Cc1ccc(s1)-c1ccc(CCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(N)=O)cc1
Show InChI InChI=1S/C24H29N3O7S/c1-14-2-10-19(35-14)16-6-3-15(4-7-16)5-11-20(28)26-18(9-13-22(31)32)24(34)27-17(23(25)33)8-12-21(29)30/h2-4,6-7,10,17-18H,5,8-9,11-13H2,1H3,(H2,25,33)(H,26,28)(H,27,34)(H,29,30)(H,31,32)/t17-,18-/m0/s1
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97n/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)

More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM120243
PNG
(US8691753, 92)
Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccc(s1)-c1ccccc1
Show InChI InChI=1S/C29H31N3O7S/c30-28(38)21(11-16-26(34)35)32-29(39)22(12-17-27(36)37)31-25(33)15-8-18-6-9-20(10-7-18)24-14-13-23(40-24)19-4-2-1-3-5-19/h1-7,9-10,13-14,21-22H,8,11-12,15-17H2,(H2,30,38)(H,31,33)(H,32,39)(H,34,35)(H,36,37)/t21-,22-/m0/s1
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108n/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)

More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM92445
PNG
(Inhibitor, 10 | US8691753, 105)
Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1cc(cs1)-c1ccccc1
Show InChI InChI=1S/C24H24N2O4S/c25-24(30)20(11-13-23(28)29)26-22(27)12-8-16-6-9-18(10-7-16)21-14-19(15-31-21)17-4-2-1-3-5-17/h1-7,9-10,14-15,20H,8,11-13H2,(H2,25,30)(H,26,27)(H,28,29)/t20-/m0/s1
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113 -9.47n/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)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM120240
PNG
(US8691753, 89)
Show SMILES OC(=O)CC[C@H](NC(=O)CCc1ccc(cc1)-c1cccs1)C(=O)N1CCCC(CC(O)=O)C1
Show InChI InChI=1S/C25H30N2O6S/c28-22(11-7-17-5-8-19(9-6-17)21-4-2-14-34-21)26-20(10-12-23(29)30)25(33)27-13-1-3-18(16-27)15-24(31)32/h2,4-6,8-9,14,18,20H,1,3,7,10-13,15-16H2,(H,26,28)(H,29,30)(H,31,32)/t18?,20-/m0/s1
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124n/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)

More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM120231
PNG
(US8691753, 80)
Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C23H27N3O7S/c24-22(32)16(8-11-20(28)29)26-23(33)17(9-12-21(30)31)25-19(27)10-5-14-3-6-15(7-4-14)18-2-1-13-34-18/h1-4,6-7,13,16-17H,5,8-12H2,(H2,24,32)(H,25,27)(H,26,33)(H,28,29)(H,30,31)/t16-,17-/m0/s1
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142n/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)

More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM120238
PNG
(US8691753, 87)
Show SMILES NC(=O)[C@H](CO)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C21H25N3O6S/c22-20(29)16(12-25)24-21(30)15(8-10-19(27)28)23-18(26)9-5-13-3-6-14(7-4-13)17-2-1-11-31-17/h1-4,6-7,11,15-16,25H,5,8-10,12H2,(H2,22,29)(H,23,26)(H,24,30)(H,27,28)/t15-,16-/m0/s1
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147n/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)

More data for this
Ligand-Target Pair
Matrix metalloproteinase 10


(Homo sapiens (Human))
BDBM120243
PNG
(US8691753, 92)
Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccc(s1)-c1ccccc1
Show InChI InChI=1S/C29H31N3O7S/c30-28(38)21(11-16-26(34)35)32-29(39)22(12-17-27(36)37)31-25(33)15-8-18-6-9-20(10-7-18)24-14-13-23(40-24)19-4-2-1-3-5-19/h1-7,9-10,13-14,21-22H,8,11-12,15-17H2,(H2,30,38)(H,31,33)(H,32,39)(H,34,35)(H,36,37)/t21-,22-/m0/s1
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156n/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)

More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (human))
BDBM120243
PNG
(US8691753, 92)
Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccc(s1)-c1ccccc1
Show InChI InChI=1S/C29H31N3O7S/c30-28(38)21(11-16-26(34)35)32-29(39)22(12-17-27(36)37)31-25(33)15-8-18-6-9-20(10-7-18)24-14-13-23(40-24)19-4-2-1-3-5-19/h1-7,9-10,13-14,21-22H,8,11-12,15-17H2,(H2,30,38)(H,31,33)(H,32,39)(H,34,35)(H,36,37)/t21-,22-/m0/s1
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200n/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)

More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM92445
PNG
(Inhibitor, 10 | US8691753, 105)
Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1cc(cs1)-c1ccccc1
Show InChI InChI=1S/C24H24N2O4S/c25-24(30)20(11-13-23(28)29)26-22(27)12-8-16-6-9-18(10-7-16)21-14-19(15-31-21)17-4-2-1-3-5-17/h1-7,9-10,14-15,20H,8,11-13H2,(H2,25,30)(H,26,27)(H,28,29)/t20-/m0/s1
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203n/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)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM92445
PNG
(Inhibitor, 10 | US8691753, 105)
Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1cc(cs1)-c1ccccc1
Show InChI InChI=1S/C24H24N2O4S/c25-24(30)20(11-13-23(28)29)26-22(27)12-8-16-6-9-18(10-7-16)21-14-19(15-31-21)17-4-2-1-3-5-17/h1-7,9-10,14-15,20H,8,11-13H2,(H2,25,30)(H,26,27)(H,28,29)/t20-/m0/s1
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203 -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)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Collagenase


(homo sapiens (human))
BDBM120232
PNG
(US8691753, 81)
Show SMILES NC(=O)CC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1cccs1)C(N)=O
Show InChI InChI=1S/C23H28N4O6S/c24-19(28)10-8-16(22(25)32)27-23(33)17(9-12-21(30)31)26-20(29)11-5-14-3-6-15(7-4-14)18-2-1-13-34-18/h1-4,6-7,13,16-17H,5,8-12H2,(H2,24,28)(H2,25,32)(H,26,29)(H,27,33)(H,30,31)/t16-,17-/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)

More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM120245
PNG
(US8691753, 94)
Show SMILES Cc1csc(c1)-c1ccc(CCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(N)=O)cc1
Show InChI InChI=1S/C24H29N3O7S/c1-14-12-19(35-13-14)16-5-2-15(3-6-16)4-9-20(28)26-18(8-11-22(31)32)24(34)27-17(23(25)33)7-10-21(29)30/h2-3,5-6,12-13,17-18H,4,7-11H2,1H3,(H2,25,33)(H,26,28)(H,27,34)(H,29,30)(H,31,32)/t17-,18-/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)

More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM120233
PNG
(US8691753, 82)
Show SMILES NCCCC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1cccs1)C(N)=O
Show InChI InChI=1S/C24H32N4O5S/c25-14-2-1-4-18(23(26)32)28-24(33)19(11-13-22(30)31)27-21(29)12-8-16-6-9-17(10-7-16)20-5-3-15-34-20/h3,5-7,9-10,15,18-19H,1-2,4,8,11-14,25H2,(H2,26,32)(H,27,29)(H,28,33)(H,30,31)/t18-,19-/m0/s1
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234n/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)

More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM120242
PNG
(US8691753, 91)
Show SMILES Cc1ccc(s1)-c1ccc(CCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(N)=O)cc1
Show InChI InChI=1S/C24H29N3O7S/c1-14-2-10-19(35-14)16-6-3-15(4-7-16)5-11-20(28)26-18(9-13-22(31)32)24(34)27-17(23(25)33)8-12-21(29)30/h2-4,6-7,10,17-18H,5,8-9,11-13H2,1H3,(H2,25,33)(H,26,28)(H,27,34)(H,29,30)(H,31,32)/t17-,18-/m0/s1
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242n/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)

More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM120243
PNG
(US8691753, 92)
Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccc(s1)-c1ccccc1
Show InChI InChI=1S/C29H31N3O7S/c30-28(38)21(11-16-26(34)35)32-29(39)22(12-17-27(36)37)31-25(33)15-8-18-6-9-20(10-7-18)24-14-13-23(40-24)19-4-2-1-3-5-19/h1-7,9-10,13-14,21-22H,8,11-12,15-17H2,(H2,30,38)(H,31,33)(H,32,39)(H,34,35)(H,36,37)/t21-,22-/m0/s1
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US Patent
279n/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)

More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM120239
PNG
(US8691753, 88)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1cccs1)C(N)=O
Show InChI InChI=1S/C24H31N3O5S/c1-15(2)14-19(23(25)31)27-24(32)18(10-12-22(29)30)26-21(28)11-7-16-5-8-17(9-6-16)20-4-3-13-33-20/h3-6,8-9,13,15,18-19H,7,10-12,14H2,1-2H3,(H2,25,31)(H,26,28)(H,27,32)(H,29,30)/t18-,19-/m0/s1
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298n/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)

More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (human))
BDBM120231
PNG
(US8691753, 80)
Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C23H27N3O7S/c24-22(32)16(8-11-20(28)29)26-23(33)17(9-12-21(30)31)25-19(27)10-5-14-3-6-15(7-4-14)18-2-1-13-34-18/h1-4,6-7,13,16-17H,5,8-12H2,(H2,24,32)(H,25,27)(H,26,33)(H,28,29)(H,30,31)/t16-,17-/m0/s1
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321n/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)

More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM92449
PNG
(Inhibitor, 19)
Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccc(s1)-c1ccccc1
Show InChI InChI=1S/C24H24N2O4S/c25-24(30)19(11-15-23(28)29)26-22(27)14-8-16-6-9-18(10-7-16)21-13-12-20(31-21)17-4-2-1-3-5-17/h1-7,9-10,12-13,19H,8,11,14-15H2,(H2,25,30)(H,26,27)(H,28,29)/t19-/m0/s1
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329 -8.84n/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)

More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM92449
PNG
(Inhibitor, 19)
Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccc(s1)-c1ccccc1
Show InChI InChI=1S/C24H24N2O4S/c25-24(30)19(11-15-23(28)29)26-22(27)14-8-16-6-9-18(10-7-16)21-13-12-20(31-21)17-4-2-1-3-5-17/h1-7,9-10,12-13,19H,8,11,14-15H2,(H2,25,30)(H,26,27)(H,28,29)/t19-/m0/s1
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338 -8.82n/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)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Collagenase


(homo sapiens (human))
BDBM120236
PNG
(US8691753, 85)
Show SMILES C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1cccs1)C(N)=O
Show InChI InChI=1S/C21H25N3O5S/c1-13(20(22)28)23-21(29)16(9-11-19(26)27)24-18(25)10-6-14-4-7-15(8-5-14)17-3-2-12-30-17/h2-5,7-8,12-13,16H,6,9-11H2,1H3,(H2,22,28)(H,23,29)(H,24,25)(H,26,27)/t13-,16-/m0/s1
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US Patent
348n/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)

More data for this
Ligand-Target Pair
Matrix metalloproteinase 10


(Homo sapiens (Human))
BDBM92449
PNG
(Inhibitor, 19)
Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccc(s1)-c1ccccc1
Show InChI InChI=1S/C24H24N2O4S/c25-24(30)19(11-15-23(28)29)26-22(27)14-8-16-6-9-18(10-7-16)21-13-12-20(31-21)17-4-2-1-3-5-17/h1-7,9-10,12-13,19H,8,11,14-15H2,(H2,25,30)(H,26,27)(H,28,29)/t19-/m0/s1
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352 -8.80n/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)

More data for this
Ligand-Target Pair
Matrix metalloproteinase 10


(Homo sapiens (Human))
BDBM120242
PNG
(US8691753, 91)
Show SMILES Cc1ccc(s1)-c1ccc(CCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(N)=O)cc1
Show InChI InChI=1S/C24H29N3O7S/c1-14-2-10-19(35-14)16-6-3-15(4-7-16)5-11-20(28)26-18(9-13-22(31)32)24(34)27-17(23(25)33)8-12-21(29)30/h2-4,6-7,10,17-18H,5,8-9,11-13H2,1H3,(H2,25,33)(H,26,28)(H,27,34)(H,29,30)(H,31,32)/t17-,18-/m0/s1
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353n/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)

More data for this
Ligand-Target Pair
Matrix metalloproteinase 10


(Homo sapiens (Human))
BDBM120231
PNG
(US8691753, 80)
Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C23H27N3O7S/c24-22(32)16(8-11-20(28)29)26-23(33)17(9-12-21(30)31)25-19(27)10-5-14-3-6-15(7-4-14)18-2-1-13-34-18/h1-4,6-7,13,16-17H,5,8-12H2,(H2,24,32)(H,25,27)(H,26,33)(H,28,29)(H,30,31)/t16-,17-/m0/s1
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373n/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)

More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM92445
PNG
(Inhibitor, 10 | US8691753, 105)
Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1cc(cs1)-c1ccccc1
Show InChI InChI=1S/C24H24N2O4S/c25-24(30)20(11-13-23(28)29)26-22(27)12-8-16-6-9-18(10-7-16)21-14-19(15-31-21)17-4-2-1-3-5-17/h1-7,9-10,14-15,20H,8,11-13H2,(H2,25,30)(H,26,27)(H,28,29)/t20-/m0/s1
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377 -8.76n/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)

More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM92445
PNG
(Inhibitor, 10 | US8691753, 105)
Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1cc(cs1)-c1ccccc1
Show InChI InChI=1S/C24H24N2O4S/c25-24(30)20(11-13-23(28)29)26-22(27)12-8-16-6-9-18(10-7-16)21-14-19(15-31-21)17-4-2-1-3-5-17/h1-7,9-10,14-15,20H,8,11-13H2,(H2,25,30)(H,26,27)(H,28,29)/t20-/m0/s1
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377n/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)

More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM120243
PNG
(US8691753, 92)
Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccc(s1)-c1ccccc1
Show InChI InChI=1S/C29H31N3O7S/c30-28(38)21(11-16-26(34)35)32-29(39)22(12-17-27(36)37)31-25(33)15-8-18-6-9-20(10-7-18)24-14-13-23(40-24)19-4-2-1-3-5-19/h1-7,9-10,13-14,21-22H,8,11-12,15-17H2,(H2,30,38)(H,31,33)(H,32,39)(H,34,35)(H,36,37)/t21-,22-/m0/s1
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381n/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)

More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (human))
BDBM92449
PNG
(Inhibitor, 19)
Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccc(s1)-c1ccccc1
Show InChI InChI=1S/C24H24N2O4S/c25-24(30)19(11-15-23(28)29)26-22(27)14-8-16-6-9-18(10-7-16)21-13-12-20(31-21)17-4-2-1-3-5-17/h1-7,9-10,12-13,19H,8,11,14-15H2,(H2,25,30)(H,26,27)(H,28,29)/t19-/m0/s1
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468 -8.63n/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)

More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM120240
PNG
(US8691753, 89)
Show SMILES OC(=O)CC[C@H](NC(=O)CCc1ccc(cc1)-c1cccs1)C(=O)N1CCCC(CC(O)=O)C1
Show InChI InChI=1S/C25H30N2O6S/c28-22(11-7-17-5-8-19(9-6-17)21-4-2-14-34-21)26-20(10-12-23(29)30)25(33)27-13-1-3-18(16-27)15-24(31)32/h2,4-6,8-9,14,18,20H,1,3,7,10-13,15-16H2,(H,26,28)(H,29,30)(H,31,32)/t18?,20-/m0/s1
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484n/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)

More data for this
Ligand-Target Pair
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