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20 similar compounds to monomer 92448

Compile data set for download or QSAR
Wt: 439.5
BDBM120192
Wt: 482.5
BDBM120195
Wt: 469.4
BDBM120196
Wt: 425.4
BDBM120198
Wt: 441.4
BDBM120200
Wt: 467.5
BDBM120201
Wt: 499.5
BDBM120205
Wt: 513.5
BDBM120211
Wt: 559.6
BDBM120212
Wt: 558.6
BDBM120213
Wt: 558.6
BDBM120214
Wt: 545.5
BDBM120215
Wt: 501.5
BDBM120217
Wt: 517.5
BDBM120219
Wt: 543.6
BDBM120220
Displayed 1 to 15 (of 20 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 132 hits for monomerid = 120192,120195,120196,120198,120200,120201,120205,120211,120212,120213,120214,120215,120217,120219,120220   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM120212
PNG
(US8691753, 61 | US8691753, 72)
Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C31H33N3O7/c32-30(40)25(15-18-28(36)37)34-31(41)26(16-19-29(38)39)33-27(35)17-8-20-6-9-22(10-7-20)24-13-11-23(12-14-24)21-4-2-1-3-5-21/h1-7,9-14,25-26H,8,15-19H2,(H2,32,40)(H,33,35)(H,34,41)(H,36,37)(H,38,39)/t25-,26-/m0/s1
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1.63n/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))
BDBM120217
PNG
(US8691753, 66)
Show SMILES C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccc(cc1)-c1ccccc1)C(N)=O
Show InChI InChI=1S/C29H31N3O5/c1-19(28(30)36)31-29(37)25(16-18-27(34)35)32-26(33)17-9-20-7-10-22(11-8-20)24-14-12-23(13-15-24)21-5-3-2-4-6-21/h2-8,10-15,19,25H,9,16-18H2,1H3,(H2,30,36)(H,31,37)(H,32,33)(H,34,35)/t19-,25-/m0/s1
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2.20n/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))
BDBM120215
PNG
(US8691753, 64)
Show SMILES NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C30H31N3O7/c31-29(39)25(18-28(37)38)33-30(40)24(15-17-27(35)36)32-26(34)16-8-19-6-9-21(10-7-19)23-13-11-22(12-14-23)20-4-2-1-3-5-20/h1-7,9-14,24-25H,8,15-18H2,(H2,31,39)(H,32,34)(H,33,40)(H,35,36)(H,37,38)/t24-,25-/m0/s1
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3.30n/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))
BDBM120219
PNG
(US8691753, 68)
Show SMILES NC(=O)[C@H](CO)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H31N3O6/c30-28(37)25(18-33)32-29(38)24(15-17-27(35)36)31-26(34)16-8-19-6-9-21(10-7-19)23-13-11-22(12-14-23)20-4-2-1-3-5-20/h1-7,9-14,24-25,33H,8,15-18H2,(H2,30,37)(H,31,34)(H,32,38)(H,35,36)/t24-,25-/m0/s1
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3.5n/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))
BDBM120213
PNG
(US8691753, 62)
Show SMILES NC(=O)CC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccc(cc1)-c1ccccc1)C(N)=O
Show InChI InChI=1S/C31H34N4O6/c32-27(36)17-15-25(30(33)40)35-31(41)26(16-19-29(38)39)34-28(37)18-8-20-6-9-22(10-7-20)24-13-11-23(12-14-24)21-4-2-1-3-5-21/h1-7,9-14,25-26H,8,15-19H2,(H2,32,36)(H2,33,40)(H,34,37)(H,35,41)(H,38,39)/t25-,26-/m0/s1
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5.20n/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))
BDBM120220
PNG
(US8691753, 69)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccc(cc1)-c1ccccc1)C(N)=O
Show InChI InChI=1S/C32H37N3O5/c1-21(2)20-28(31(33)39)35-32(40)27(17-19-30(37)38)34-29(36)18-10-22-8-11-24(12-9-22)26-15-13-25(14-16-26)23-6-4-3-5-7-23/h3-9,11-16,21,27-28H,10,17-20H2,1-2H3,(H2,33,39)(H,34,36)(H,35,40)(H,37,38)/t27-,28-/m0/s1
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7.80n/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))
BDBM120214
PNG
(US8691753, 63)
Show SMILES NCCCC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccc(cc1)-c1ccccc1)C(N)=O
Show InChI InChI=1S/C32H38N4O5/c33-21-5-4-8-27(31(34)40)36-32(41)28(18-20-30(38)39)35-29(37)19-11-22-9-12-24(13-10-22)26-16-14-25(15-17-26)23-6-2-1-3-7-23/h1-3,6-7,9-10,12-17,27-28H,4-5,8,11,18-21,33H2,(H2,34,40)(H,35,37)(H,36,41)(H,38,39)/t27-,28-/m0/s1
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14.3n/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 3


(Homo sapiens (Human))
BDBM120217
PNG
(US8691753, 66)
Show SMILES C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccc(cc1)-c1ccccc1)C(N)=O
Show InChI InChI=1S/C29H31N3O5/c1-19(28(30)36)31-29(37)25(16-18-27(34)35)32-26(33)17-9-20-7-10-22(11-8-20)24-14-12-23(13-15-24)21-5-3-2-4-6-21/h2-8,10-15,19,25H,9,16-18H2,1H3,(H2,30,36)(H,31,37)(H,32,33)(H,34,35)/t19-,25-/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)


BindingDB Entry DOI: 10.7270/Q28P5Z5Q
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM120219
PNG
(US8691753, 68)
Show SMILES NC(=O)[C@H](CO)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H31N3O6/c30-28(37)25(18-33)32-29(38)24(15-17-27(35)36)31-26(34)16-8-19-6-9-21(10-7-19)23-13-11-22(12-14-23)20-4-2-1-3-5-20/h1-7,9-14,24-25,33H,8,15-18H2,(H2,30,37)(H,31,34)(H,32,38)(H,35,36)/t24-,25-/m0/s1
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16.6n/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))
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
Collagenase 3


(Homo sapiens (Human))
BDBM120213
PNG
(US8691753, 62)
Show SMILES NC(=O)CC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccc(cc1)-c1ccccc1)C(N)=O
Show InChI InChI=1S/C31H34N4O6/c32-27(36)17-15-25(30(33)40)35-31(41)26(16-19-29(38)39)34-28(37)18-8-20-6-9-22(10-7-20)24-13-11-23(12-14-24)21-4-2-1-3-5-21/h1-7,9-14,25-26H,8,15-19H2,(H2,32,36)(H2,33,40)(H,34,37)(H,35,41)(H,38,39)/t25-,26-/m0/s1
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20n/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 3


(Homo sapiens (Human))
BDBM120212
PNG
(US8691753, 61 | US8691753, 72)
Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C31H33N3O7/c32-30(40)25(15-18-28(36)37)34-31(41)26(16-19-29(38)39)33-27(35)17-8-20-6-9-22(10-7-20)24-13-11-23(12-14-24)21-4-2-1-3-5-21/h1-7,9-14,25-26H,8,15-19H2,(H2,32,40)(H,33,35)(H,34,41)(H,36,37)(H,38,39)/t25-,26-/m0/s1
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20n/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 3


(Homo sapiens (Human))
BDBM120215
PNG
(US8691753, 64)
Show SMILES NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C30H31N3O7/c31-29(39)25(18-28(37)38)33-30(40)24(15-17-27(35)36)32-26(34)16-8-19-6-9-21(10-7-19)23-13-11-22(12-14-23)20-4-2-1-3-5-20/h1-7,9-14,24-25H,8,15-18H2,(H2,31,39)(H,32,34)(H,33,40)(H,35,36)(H,37,38)/t24-,25-/m0/s1
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23n/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
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM120219
PNG
(US8691753, 68)
Show SMILES NC(=O)[C@H](CO)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H31N3O6/c30-28(37)25(18-33)32-29(38)24(15-17-27(35)36)31-26(34)16-8-19-6-9-21(10-7-19)23-13-11-22(12-14-23)20-4-2-1-3-5-20/h1-7,9-14,24-25,33H,8,15-18H2,(H2,30,37)(H,31,34)(H,32,38)(H,35,36)/t24-,25-/m0/s1
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31n/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))
BDBM120215
PNG
(US8691753, 64)
Show SMILES NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C30H31N3O7/c31-29(39)25(18-28(37)38)33-30(40)24(15-17-27(35)36)32-26(34)16-8-19-6-9-21(10-7-19)23-13-11-22(12-14-23)20-4-2-1-3-5-20/h1-7,9-14,24-25H,8,15-18H2,(H2,31,39)(H,32,34)(H,33,40)(H,35,36)(H,37,38)/t24-,25-/m0/s1
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35n/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
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM120213
PNG
(US8691753, 62)
Show SMILES NC(=O)CC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccc(cc1)-c1ccccc1)C(N)=O
Show InChI InChI=1S/C31H34N4O6/c32-27(36)17-15-25(30(33)40)35-31(41)26(16-19-29(38)39)34-28(37)18-8-20-6-9-22(10-7-20)24-13-11-23(12-14-24)21-4-2-1-3-5-21/h1-7,9-14,25-26H,8,15-19H2,(H2,32,36)(H2,33,40)(H,34,37)(H,35,41)(H,38,39)/t25-,26-/m0/s1
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45n/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
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM120217
PNG
(US8691753, 66)
Show SMILES C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccc(cc1)-c1ccccc1)C(N)=O
Show InChI InChI=1S/C29H31N3O5/c1-19(28(30)36)31-29(37)25(16-18-27(34)35)32-26(33)17-9-20-7-10-22(11-8-20)24-14-12-23(13-15-24)21-5-3-2-4-6-21/h2-8,10-15,19,25H,9,16-18H2,1H3,(H2,30,36)(H,31,37)(H,32,33)(H,34,35)/t19-,25-/m0/s1
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49n/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))
BDBM120211
PNG
(US8691753, 60)
Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1cccc(CO)c1
Show InChI InChI=1S/C26H31N3O8/c27-25(36)20(9-12-23(32)33)29-26(37)21(10-13-24(34)35)28-22(31)11-6-16-4-7-18(8-5-16)19-3-1-2-17(14-19)15-30/h1-5,7-8,14,20-21,30H,6,9-13,15H2,(H2,27,36)(H,28,31)(H,29,37)(H,32,33)(H,34,35)/t20-,21-/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
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM120212
PNG
(US8691753, 61 | US8691753, 72)
Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C31H33N3O7/c32-30(40)25(15-18-28(36)37)34-31(41)26(16-19-29(38)39)33-27(35)17-8-20-6-9-22(10-7-20)24-13-11-23(12-14-24)21-4-2-1-3-5-21/h1-7,9-14,25-26H,8,15-19H2,(H2,32,40)(H,33,35)(H,34,41)(H,36,37)(H,38,39)/t25-,26-/m0/s1
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53n/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 3


(Homo sapiens (Human))
BDBM120214
PNG
(US8691753, 63)
Show SMILES NCCCC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccc(cc1)-c1ccccc1)C(N)=O
Show InChI InChI=1S/C32H38N4O5/c33-21-5-4-8-27(31(34)40)36-32(41)28(18-20-30(38)39)35-29(37)19-11-22-9-12-24(13-10-22)26-16-14-25(15-17-26)23-6-2-1-3-7-23/h1-3,6-7,9-10,12-17,27-28H,4-5,8,11,18-21,33H2,(H2,34,40)(H,35,37)(H,36,41)(H,38,39)/t27-,28-/m0/s1
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55n/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
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM120215
PNG
(US8691753, 64)
Show SMILES NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C30H31N3O7/c31-29(39)25(18-28(37)38)33-30(40)24(15-17-27(35)36)32-26(34)16-8-19-6-9-21(10-7-19)23-13-11-22(12-14-23)20-4-2-1-3-5-20/h1-7,9-14,24-25H,8,15-18H2,(H2,31,39)(H,32,34)(H,33,40)(H,35,36)(H,37,38)/t24-,25-/m0/s1
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55n/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
Stromelysin-1


(Homo sapiens (Human))
BDBM120212
PNG
(US8691753, 61 | US8691753, 72)
Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C31H33N3O7/c32-30(40)25(15-18-28(36)37)34-31(41)26(16-19-29(38)39)33-27(35)17-8-20-6-9-22(10-7-20)24-13-11-23(12-14-24)21-4-2-1-3-5-21/h1-7,9-14,25-26H,8,15-19H2,(H2,32,40)(H,33,35)(H,34,41)(H,36,37)(H,38,39)/t25-,26-/m0/s1
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64n/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))
BDBM120219
PNG
(US8691753, 68)
Show SMILES NC(=O)[C@H](CO)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H31N3O6/c30-28(37)25(18-33)32-29(38)24(15-17-27(35)36)31-26(34)16-8-19-6-9-21(10-7-19)23-13-11-22(12-14-23)20-4-2-1-3-5-20/h1-7,9-14,24-25,33H,8,15-18H2,(H2,30,37)(H,31,34)(H,32,38)(H,35,36)/t24-,25-/m0/s1
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71n/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))
BDBM120212
PNG
(US8691753, 61 | US8691753, 72)
Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C31H33N3O7/c32-30(40)25(15-18-28(36)37)34-31(41)26(16-19-29(38)39)33-27(35)17-8-20-6-9-22(10-7-20)24-13-11-23(12-14-24)21-4-2-1-3-5-21/h1-7,9-14,25-26H,8,15-19H2,(H2,32,40)(H,33,35)(H,34,41)(H,36,37)(H,38,39)/t25-,26-/m0/s1
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74n/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 10


(Homo sapiens (Human))
BDBM120212
PNG
(US8691753, 61 | US8691753, 72)
Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C31H33N3O7/c32-30(40)25(15-18-28(36)37)34-31(41)26(16-19-29(38)39)33-27(35)17-8-20-6-9-22(10-7-20)24-13-11-23(12-14-24)21-4-2-1-3-5-21/h1-7,9-14,25-26H,8,15-19H2,(H2,32,40)(H,33,35)(H,34,41)(H,36,37)(H,38,39)/t25-,26-/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
Collagenase 3


(Homo sapiens (Human))
BDBM120220
PNG
(US8691753, 69)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccc(cc1)-c1ccccc1)C(N)=O
Show InChI InChI=1S/C32H37N3O5/c1-21(2)20-28(31(33)39)35-32(40)27(17-19-30(37)38)34-29(36)18-10-22-8-11-24(12-9-22)26-15-13-25(14-16-26)23-6-4-3-5-7-23/h3-9,11-16,21,27-28H,10,17-20H2,1-2H3,(H2,33,39)(H,34,36)(H,35,40)(H,37,38)/t27-,28-/m0/s1
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81n/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))
BDBM120213
PNG
(US8691753, 62)
Show SMILES NC(=O)CC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccc(cc1)-c1ccccc1)C(N)=O
Show InChI InChI=1S/C31H34N4O6/c32-27(36)17-15-25(30(33)40)35-31(41)26(16-19-29(38)39)34-28(37)18-8-20-6-9-22(10-7-20)24-13-11-23(12-14-24)21-4-2-1-3-5-21/h1-7,9-14,25-26H,8,15-19H2,(H2,32,36)(H2,33,40)(H,34,37)(H,35,41)(H,38,39)/t25-,26-/m0/s1
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102n/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))
BDBM120219
PNG
(US8691753, 68)
Show SMILES NC(=O)[C@H](CO)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H31N3O6/c30-28(37)25(18-33)32-29(38)24(15-17-27(35)36)31-26(34)16-8-19-6-9-21(10-7-19)23-13-11-22(12-14-23)20-4-2-1-3-5-20/h1-7,9-14,24-25,33H,8,15-18H2,(H2,30,37)(H,31,34)(H,32,38)(H,35,36)/t24-,25-/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)


BindingDB Entry DOI: 10.7270/Q28P5Z5Q
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM120214
PNG
(US8691753, 63)
Show SMILES NCCCC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccc(cc1)-c1ccccc1)C(N)=O
Show InChI InChI=1S/C32H38N4O5/c33-21-5-4-8-27(31(34)40)36-32(41)28(18-20-30(38)39)35-29(37)19-11-22-9-12-24(13-10-22)26-16-14-25(15-17-26)23-6-2-1-3-7-23/h1-3,6-7,9-10,12-17,27-28H,4-5,8,11,18-21,33H2,(H2,34,40)(H,35,37)(H,36,41)(H,38,39)/t27-,28-/m0/s1
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110n/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))
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 10


(Homo sapiens (Human))
BDBM120217
PNG
(US8691753, 66)
Show SMILES C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccc(cc1)-c1ccccc1)C(N)=O
Show InChI InChI=1S/C29H31N3O5/c1-19(28(30)36)31-29(37)25(16-18-27(34)35)32-26(33)17-9-20-7-10-22(11-8-20)24-14-12-23(13-15-24)21-5-3-2-4-6-21/h2-8,10-15,19,25H,9,16-18H2,1H3,(H2,30,36)(H,31,37)(H,32,33)(H,34,35)/t19-,25-/m0/s1
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130n/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
Neutrophil collagenase


(Homo sapiens (Human))
BDBM120212
PNG
(US8691753, 61 | US8691753, 72)
Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C31H33N3O7/c32-30(40)25(15-18-28(36)37)34-31(41)26(16-19-29(38)39)33-27(35)17-8-20-6-9-22(10-7-20)24-13-11-23(12-14-24)21-4-2-1-3-5-21/h1-7,9-14,25-26H,8,15-19H2,(H2,32,40)(H,33,35)(H,34,41)(H,36,37)(H,38,39)/t25-,26-/m0/s1
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132n/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))
BDBM120212
PNG
(US8691753, 61 | US8691753, 72)
Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C31H33N3O7/c32-30(40)25(15-18-28(36)37)34-31(41)26(16-19-29(38)39)33-27(35)17-8-20-6-9-22(10-7-20)24-13-11-23(12-14-24)21-4-2-1-3-5-21/h1-7,9-14,25-26H,8,15-19H2,(H2,32,40)(H,33,35)(H,34,41)(H,36,37)(H,38,39)/t25-,26-/m0/s1
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134n/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))
BDBM120215
PNG
(US8691753, 64)
Show SMILES NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C30H31N3O7/c31-29(39)25(18-28(37)38)33-30(40)24(15-17-27(35)36)32-26(34)16-8-19-6-9-21(10-7-19)23-13-11-22(12-14-23)20-4-2-1-3-5-20/h1-7,9-14,24-25H,8,15-18H2,(H2,31,39)(H,32,34)(H,33,40)(H,35,36)(H,37,38)/t24-,25-/m0/s1
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168n/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
Collagenase 3


(Homo sapiens (Human))
BDBM120212
PNG
(US8691753, 61 | US8691753, 72)
Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C31H33N3O7/c32-30(40)25(15-18-28(36)37)34-31(41)26(16-19-29(38)39)33-27(35)17-8-20-6-9-22(10-7-20)24-13-11-23(12-14-24)21-4-2-1-3-5-21/h1-7,9-14,25-26H,8,15-19H2,(H2,32,40)(H,33,35)(H,34,41)(H,36,37)(H,38,39)/t25-,26-/m0/s1
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180n/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
Neutrophil 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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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
Neutrophil 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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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
Neutrophil collagenase


(Homo sapiens (Human))
BDBM120219
PNG
(US8691753, 68)
Show SMILES NC(=O)[C@H](CO)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H31N3O6/c30-28(37)25(18-33)32-29(38)24(15-17-27(35)36)31-26(34)16-8-19-6-9-21(10-7-19)23-13-11-22(12-14-23)20-4-2-1-3-5-20/h1-7,9-14,24-25,33H,8,15-18H2,(H2,30,37)(H,31,34)(H,32,38)(H,35,36)/t24-,25-/m0/s1
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227n/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
Neutrophil 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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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
Stromelysin-1


(Homo sapiens (Human))
BDBM120217
PNG
(US8691753, 66)
Show SMILES C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccc(cc1)-c1ccccc1)C(N)=O
Show InChI InChI=1S/C29H31N3O5/c1-19(28(30)36)31-29(37)25(16-18-27(34)35)32-26(33)17-9-20-7-10-22(11-8-20)24-14-12-23(13-15-24)21-5-3-2-4-6-21/h2-8,10-15,19,25H,9,16-18H2,1H3,(H2,30,36)(H,31,37)(H,32,33)(H,34,35)/t19-,25-/m0/s1
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238n/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))
BDBM120213
PNG
(US8691753, 62)
Show SMILES NC(=O)CC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccc(cc1)-c1ccccc1)C(N)=O
Show InChI InChI=1S/C31H34N4O6/c32-27(36)17-15-25(30(33)40)35-31(41)26(16-19-29(38)39)34-28(37)18-8-20-6-9-22(10-7-20)24-13-11-23(12-14-24)21-4-2-1-3-5-21/h1-7,9-14,25-26H,8,15-19H2,(H2,32,36)(H2,33,40)(H,34,37)(H,35,41)(H,38,39)/t25-,26-/m0/s1
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244n/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))
BDBM120220
PNG
(US8691753, 69)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccc(cc1)-c1ccccc1)C(N)=O
Show InChI InChI=1S/C32H37N3O5/c1-21(2)20-28(31(33)39)35-32(40)27(17-19-30(37)38)34-29(36)18-10-22-8-11-24(12-9-22)26-15-13-25(14-16-26)23-6-4-3-5-7-23/h3-9,11-16,21,27-28H,10,17-20H2,1-2H3,(H2,33,39)(H,34,36)(H,35,40)(H,37,38)/t27-,28-/m0/s1
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258n/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
Neutrophil collagenase


(Homo sapiens (Human))
BDBM120215
PNG
(US8691753, 64)
Show SMILES NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C30H31N3O7/c31-29(39)25(18-28(37)38)33-30(40)24(15-17-27(35)36)32-26(34)16-8-19-6-9-21(10-7-19)23-13-11-22(12-14-23)20-4-2-1-3-5-20/h1-7,9-14,24-25H,8,15-18H2,(H2,31,39)(H,32,34)(H,33,40)(H,35,36)(H,37,38)/t24-,25-/m0/s1
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287n/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
Neutrophil 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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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
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM120220
PNG
(US8691753, 69)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccc(cc1)-c1ccccc1)C(N)=O
Show InChI InChI=1S/C32H37N3O5/c1-21(2)20-28(31(33)39)35-32(40)27(17-19-30(37)38)34-29(36)18-10-22-8-11-24(12-9-22)26-15-13-25(14-16-26)23-6-4-3-5-7-23/h3-9,11-16,21,27-28H,10,17-20H2,1-2H3,(H2,33,39)(H,34,36)(H,35,40)(H,37,38)/t27-,28-/m0/s1
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332n/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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