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Compile Data Set for Download or QSAR

Found 725 hits Enz. Inhib. hit(s) with Target = 'Matrix metalloproteinase-12 (MMP12)' AND taxid = 9606   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM50265078
PNG
((4S)-5-amino-4-((2S)-2-((2S)-3-((4-bromophenyl)(hy...)
Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1cc(no1)-c1ccc(cc1)-c1cccc(Cl)c1)CP(O)(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C35H35BrClN4O10P/c36-24-8-10-27(11-9-24)52(49,50)19-23(34(47)40-29(13-15-32(44)45)35(48)39-28(33(38)46)12-14-31(42)43)17-26-18-30(41-51-26)21-6-4-20(5-7-21)22-2-1-3-25(37)16-22/h1-11,16,18,23,28-29H,12-15,17,19H2,(H2,38,46)(H,39,48)(H,40,47)(H,42,43)(H,44,45)(H,49,50)/t23-,28+,29+/m1/s1
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0.190n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of MMP12


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM92441
PNG
(RXP470, 1 | RXP470, Compound 4)
Show SMILES NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)C(Cc1cc(no1)-c1ccc(cc1)-c1cccc(Cl)c1)CP(O)(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C35H35BrClN4O10P/c36-24-8-10-27(11-9-24)52(49,50)19-23(34(47)40-29(13-15-32(44)45)35(48)39-28(33(38)46)12-14-31(42)43)17-26-18-30(41-51-26)21-6-4-20(5-7-21)22-2-1-3-25(37)16-22/h1-11,16,18,23,28-29H,12-15,17,19H2,(H2,38,46)(H,39,48)(H,40,47)(H,42,43)(H,44,45)(H,49,50)/t23?,28-,29+/m1/s1
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0.190 -55.5n/an/an/an/an/a6.825



Commissariat à l'Energie Atomique



Assay Description
Enzyme assay using matrix metalloproteinases.


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


(Homo sapiens (Human))
BDBM92441
PNG
(RXP470, 1 | RXP470, Compound 4)
Show SMILES NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)C(Cc1cc(no1)-c1ccc(cc1)-c1cccc(Cl)c1)CP(O)(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C35H35BrClN4O10P/c36-24-8-10-27(11-9-24)52(49,50)19-23(34(47)40-29(13-15-32(44)45)35(48)39-28(33(38)46)12-14-31(42)43)17-26-18-30(41-51-26)21-6-4-20(5-7-21)22-2-1-3-25(37)16-22/h1-11,16,18,23,28-29H,12-15,17,19H2,(H2,38,46)(H,39,48)(H,40,47)(H,42,43)(H,44,45)(H,49,50)/t23?,28-,29+/m1/s1
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0.200 -55.4n/an/an/an/an/a6.825



Commissariat á l'Energie Atomique



Assay Description
Enzyme assay using human matrix metalloproteases or ADAMTS.


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


(Homo sapiens (Human))
BDBM50265078
PNG
((4S)-5-amino-4-((2S)-2-((2S)-3-((4-bromophenyl)(hy...)
Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1cc(no1)-c1ccc(cc1)-c1cccc(Cl)c1)CP(O)(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C35H35BrClN4O10P/c36-24-8-10-27(11-9-24)52(49,50)19-23(34(47)40-29(13-15-32(44)45)35(48)39-28(33(38)46)12-14-31(42)43)17-26-18-30(41-51-26)21-6-4-20(5-7-21)22-2-1-3-25(37)16-22/h1-11,16,18,23,28-29H,12-15,17,19H2,(H2,38,46)(H,39,48)(H,40,47)(H,42,43)(H,44,45)(H,49,50)/t23-,28+,29+/m1/s1
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0.240n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Inhibition of human MMP12 catalytic domain (98 to 266) at pH 6.8 by isothermal titration calorimetry


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM50265078
PNG
((4S)-5-amino-4-((2S)-2-((2S)-3-((4-bromophenyl)(hy...)
Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1cc(no1)-c1ccc(cc1)-c1cccc(Cl)c1)CP(O)(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C35H35BrClN4O10P/c36-24-8-10-27(11-9-24)52(49,50)19-23(34(47)40-29(13-15-32(44)45)35(48)39-28(33(38)46)12-14-31(42)43)17-26-18-30(41-51-26)21-6-4-20(5-7-21)22-2-1-3-25(37)16-22/h1-11,16,18,23,28-29H,12-15,17,19H2,(H2,38,46)(H,39,48)(H,40,47)(H,42,43)(H,44,45)(H,49,50)/t23-,28+,29+/m1/s1
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0.260n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity to human MMP12 catalytic domain (98 to 266) by isothermal titration calorimetry


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM50426080
PNG
(CHEMBL2316257)
Show SMILES C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1cc(no1)-c1ccc(cc1)-c1cccc(Cl)c1)CP(O)(=O)c1ccc(Br)cc1)C(N)=O
Show InChI InChI=1S/C31H31BrClN4O6P/c1-18(29(34)38)35-30(39)19(2)36-31(40)23(17-44(41,42)27-12-10-24(32)11-13-27)15-26-16-28(37-43-26)21-8-6-20(7-9-21)22-4-3-5-25(33)14-22/h3-14,16,18-19,23H,15,17H2,1-2H3,(H2,34,38)(H,35,39)(H,36,40)(H,41,42)/t18-,19-,23+/m0/s1
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0.280n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity to human MMP12 catalytic domain (98 to 266) by isothermal titration calorimetry


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM120258
PNG
(US8691753, 95 bis)
Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](CC(O)=O)Cc1ccc(cc1)-c1cc(cs1)-c1ccccc1
Show InChI InChI=1S/C31H33N3O9S/c32-29(41)23(10-12-26(35)36)33-31(43)24(11-13-27(37)38)34-30(42)21(16-28(39)40)14-18-6-8-20(9-7-18)25-15-22(17-44-25)19-4-2-1-3-5-19/h1-9,15,17,21,23-24H,10-14,16H2,(H2,32,41)(H,33,43)(H,34,42)(H,35,36)(H,37,38)(H,39,40)/t21-,23+,24+/m1/s1
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US Patent
0.300n/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))
BDBM50434226
PNG
(CHEMBL2385483)
Show SMILES COc1ccc(CCS(=O)(=O)N2CCC[C@H]2C(=O)NO)cc1
Show InChI InChI=1S/C14H20N2O5S/c1-21-12-6-4-11(5-7-12)8-10-22(19,20)16-9-2-3-13(16)14(17)15-18/h4-7,13,18H,2-3,8-10H2,1H3,(H,15,17)/t13-/m0/s1
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1n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of MMP12 (unknown origin)-mediated Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 by fluorimetric assay


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


(Homo sapiens (Human))
BDBM120222
PNG
(US8691753, 71)
Show SMILES OC(=O)CC[C@H](NC(=O)CCc1ccc(cc1)-c1ccc(cc1)-c1ccccc1)C(=O)Nc1cccc(CC(O)=O)c1
Show InChI InChI=1S/C34H32N2O6/c37-31(36-30(18-20-32(38)39)34(42)35-29-8-4-5-24(21-29)22-33(40)41)19-11-23-9-12-26(13-10-23)28-16-14-27(15-17-28)25-6-2-1-3-7-25/h1-10,12-17,21,30H,11,18-20,22H2,(H,35,42)(H,36,37)(H,38,39)(H,40,41)/t30-/m0/s1
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US Patent
1.05n/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))
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)

More data for this
Ligand-Target Pair
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))
BDBM92443
PNG
(MMP Inhibitor, 3 | Thiophene derivative, compound ...)
Show SMILES NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1cc(cs1)-c1ccccc1
Show InChI InChI=1S/C29H31N3O7S/c30-28(38)22(11-14-26(34)35)32-29(39)23(12-15-27(36)37)31-25(33)13-8-18-6-9-20(10-7-18)24-16-21(17-40-24)19-4-2-1-3-5-19/h1-7,9-10,16-17,22-23H,8,11-15H2,(H2,30,38)(H,31,33)(H,32,39)(H,34,35)(H,36,37)/t22-,23+/m1/s1
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1.90 -49.8n/an/an/an/an/a6.825



Commissariat á l'Energie Atomique



Assay Description
Enzyme assay using human matrix metalloproteases or ADAMTS.


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


(Homo sapiens (Human))
BDBM92443
PNG
(MMP Inhibitor, 3 | Thiophene derivative, compound ...)
Show SMILES NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1cc(cs1)-c1ccccc1
Show InChI InChI=1S/C29H31N3O7S/c30-28(38)22(11-14-26(34)35)32-29(39)23(12-15-27(36)37)31-25(33)13-8-18-6-9-20(10-7-18)24-16-21(17-40-24)19-4-2-1-3-5-19/h1-7,9-10,16-17,22-23H,8,11-15H2,(H2,30,38)(H,31,33)(H,32,39)(H,34,35)(H,36,37)/t22-,23+/m1/s1
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1.92 -49.8n/an/an/an/an/a6.825



Commissariat à l'Energie Atomique



Assay Description
Enzyme assay using matrix metalloproteinases.


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


(Homo sapiens (Human))
BDBM120246
PNG
(US8691753, 95 | US8691753, 96)
Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1cc(cs1)-c1ccccc1
Show InChI InChI=1S/C29H31N3O7S/c30-28(38)22(11-14-26(34)35)32-29(39)23(12-15-27(36)37)31-25(33)13-8-18-6-9-20(10-7-18)24-16-21(17-40-24)19-4-2-1-3-5-19/h1-7,9-10,16-17,22-23H,8,11-15H2,(H2,30,38)(H,31,33)(H,32,39)(H,34,35)(H,36,37)/t22-,23-/m0/s1
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1.92n/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 (crystal)
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM50434222
PNG
(CHEMBL2385487)
Show SMILES ONC(=O)[C@H]1CCCN1S(=O)(=O)CCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C19H22N2O4S/c22-19(20-23)18-7-4-13-21(18)26(24,25)14-12-15-8-10-17(11-9-15)16-5-2-1-3-6-16/h1-3,5-6,8-11,18,23H,4,7,12-14H2,(H,20,22)/t18-/m1/s1
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2n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of MMP12 (unknown origin)-mediated Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 by fluorimetric assay


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


(Homo sapiens (Human))
BDBM50294120
PNG
(2-(biphenyl-4-ylsulfonamido)-N-hydroxyacetamide | ...)
Show SMILES ONC(=O)CNS(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C14H14N2O4S/c17-14(16-18)10-15-21(19,20)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,15,18H,10H2,(H,16,17)
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2n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of MMP12 (unknown origin)-mediated Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 by fluorimetric assay


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


(Homo sapiens (Human))
BDBM120191
PNG
(US8691753, 39)
Show SMILES CC[C@H](NC(=O)CCc1ccc(cc1)-c1nc2ccccc2s1)C(=O)N[C@@H](CCC(O)=O)C(N)=O
Show InChI InChI=1S/C25H28N4O5S/c1-2-17(24(34)28-19(23(26)33)12-14-22(31)32)27-21(30)13-9-15-7-10-16(11-8-15)25-29-18-5-3-4-6-20(18)35-25/h3-8,10-11,17,19H,2,9,12-14H2,1H3,(H2,26,33)(H,27,30)(H,28,34)(H,31,32)/t17-,19-/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)

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)

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


(Homo sapiens (Human))
BDBM92446
PNG
(Inhibitor, 16)
Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)c1ccc(cc1)-c1cc(cs1)-c1ccccc1
Show InChI InChI=1S/C22H20N2O4S/c23-21(27)18(10-11-20(25)26)24-22(28)16-8-6-15(7-9-16)19-12-17(13-29-19)14-4-2-1-3-5-14/h1-9,12-13,18H,10-11H2,(H2,23,27)(H,24,28)(H,25,26)/t18-/m0/s1
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2.5 -49.1n/an/an/an/an/a6.825



Commissariat á l'Energie Atomique



Assay Description
Enzyme assay using human matrix metalloproteases or ADAMTS.


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM120252
PNG
(US8691753, 101)
Show SMILES NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1cc(cs1)-c1ccccc1
Show InChI InChI=1S/C28H29N3O7S/c29-27(37)22(15-26(35)36)31-28(38)21(11-13-25(33)34)30-24(32)12-8-17-6-9-19(10-7-17)23-14-20(16-39-23)18-4-2-1-3-5-18/h1-7,9-10,14,16,21-22H,8,11-13,15H2,(H2,29,37)(H,30,32)(H,31,38)(H,33,34)(H,35,36)/t21-,22-/m0/s1
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2.56n/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))
BDBM120254
PNG
(US8691753, 103)
Show SMILES NC(=O)[C@H](CCCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1cc(cs1)-c1ccccc1
Show InChI InChI=1S/C30H33N3O7S/c31-29(39)23(7-4-8-27(35)36)33-30(40)24(14-16-28(37)38)32-26(34)15-11-19-9-12-21(13-10-19)25-17-22(18-41-25)20-5-2-1-3-6-20/h1-3,5-6,9-10,12-13,17-18,23-24H,4,7-8,11,14-16H2,(H2,31,39)(H,32,34)(H,33,40)(H,35,36)(H,37,38)/t23-,24-/m0/s1
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2.90n/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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2.90 -48.7n/an/an/an/an/a6.825



Commissariat á l'Energie Atomique



Assay Description
Enzyme assay using human matrix metalloproteases or ADAMTS.


Citation and Details
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)

More data for this
Ligand-Target Pair
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 -48.4n/an/an/an/an/a6.825



Commissariat á l'Energie Atomique



Assay Description
Enzyme assay using human matrix metalloproteases or ADAMTS.


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


(Homo sapiens (Human))
BDBM92447
PNG
(Inhibitor, 17)
Show SMILES Cc1ccc(s1)-c1ccc(CCC(=O)N[C@@H](CCC(O)=O)C(N)=O)cc1
Show InChI InChI=1S/C19H22N2O4S/c1-12-2-9-16(26-12)14-6-3-13(4-7-14)5-10-17(22)21-15(19(20)25)8-11-18(23)24/h2-4,6-7,9,15H,5,8,10-11H2,1H3,(H2,20,25)(H,21,22)(H,23,24)/t15-/m0/s1
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3.30 -48.4n/an/an/an/an/a6.825



Commissariat á l'Energie Atomique



Assay Description
Enzyme assay using human matrix metalloproteases or ADAMTS.


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


(Homo sapiens (Human))
BDBM120168
PNG
(US8691753, 16)
Show SMILES CC[C@H](NC(=O)CCc1cc(no1)-c1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(N)=O
Show InChI InChI=1S/C27H30N4O6/c1-2-21(27(36)30-22(26(28)35)13-15-25(33)34)29-24(32)14-12-20-16-23(31-37-20)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-11,16,21-22H,2,12-15H2,1H3,(H2,28,35)(H,29,32)(H,30,36)(H,33,34)/t21-,22-/m0/s1
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3.40n/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))
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)

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 -48.2n/an/an/an/an/a6.825



Commissariat á l'Energie Atomique



Assay Description
Enzyme assay using human matrix metalloproteases or ADAMTS.


Citation and Details
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))
BDBM92443
PNG
(MMP Inhibitor, 3 | Thiophene derivative, compound ...)
Show SMILES NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1cc(cs1)-c1ccccc1
Show InChI InChI=1S/C29H31N3O7S/c30-28(38)22(11-14-26(34)35)32-29(39)23(12-15-27(36)37)31-25(33)13-8-18-6-9-20(10-7-18)24-16-21(17-40-24)19-4-2-1-3-5-19/h1-7,9-10,16-17,22-23H,8,11-15H2,(H2,30,38)(H,31,33)(H,32,39)(H,34,35)(H,36,37)/t22-,23+/m1/s1
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3.70n/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))
BDBM120256
PNG
(US8691753, 106)
Show SMILES OC(=O)CC[C@H](NC(=O)CCc1ccc(cc1)-c1cc(cs1)-c1ccccc1)C(=O)Nc1cccc(CC(O)=O)c1
Show InChI InChI=1S/C32H30N2O6S/c35-29(34-27(14-16-30(36)37)32(40)33-26-8-4-5-22(17-26)18-31(38)39)15-11-21-9-12-24(13-10-21)28-19-25(20-41-28)23-6-2-1-3-7-23/h1-10,12-13,17,19-20,27H,11,14-16,18H2,(H,33,40)(H,34,35)(H,36,37)(H,38,39)/t27-/m0/s1
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4.30n/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)

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


(Homo sapiens (Human))
BDBM13080
PNG
(CGS 27023A Analog 3 | N-hydroxy-2-[(4-methoxybenze...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)CC(=O)NO
Show InChI InChI=1S/C13H20N2O5S/c1-10(2)8-15(9-13(16)14-17)21(18,19)12-6-4-11(20-3)5-7-12/h4-7,10,17H,8-9H2,1-3H3,(H,14,16)
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4.30n/an/an/an/an/an/an/an/a



ProtEra s.r.l.

Curated by ChEMBL


Assay Description
Inhibition of MMP12 by fluorimetric assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM120221
PNG
(US8691753, 70)
Show SMILES OC(=O)CC[C@H](NC(=O)CCc1ccc(cc1)-c1ccc(cc1)-c1ccccc1)C(=O)N1CCCC(CC(O)=O)C1
Show InChI InChI=1S/C33H36N2O6/c36-30(34-29(17-19-31(37)38)33(41)35-20-4-5-24(22-35)21-32(39)40)18-10-23-8-11-26(12-9-23)28-15-13-27(14-16-28)25-6-2-1-3-7-25/h1-3,6-9,11-16,24,29H,4-5,10,17-22H2,(H,34,36)(H,37,38)(H,39,40)/t24?,29-/m0/s1
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4.70n/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))
BDBM50434224
PNG
(CHEMBL2385485)
Show SMILES ONC(=O)[C@H]1CCCN1S(=O)(=O)CCc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C19H22N2O5S/c22-19(20-23)18-7-4-13-21(18)27(24,25)14-12-15-8-10-17(11-9-15)26-16-5-2-1-3-6-16/h1-3,5-6,8-11,18,23H,4,7,12-14H2,(H,20,22)/t18-/m1/s1
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5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of MMP12 (unknown origin)-mediated Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 by fluorimetric assay


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


(Homo sapiens (Human))
BDBM50434213
PNG
(CHEMBL2385489)
Show SMILES ONC(=O)[C@@H]1CCCN1S(=O)(=O)CCc1ccc2OCOc2c1
Show InChI InChI=1S/C14H18N2O6S/c17-14(15-18)11-2-1-6-16(11)23(19,20)7-5-10-3-4-12-13(8-10)22-9-21-12/h3-4,8,11,18H,1-2,5-7,9H2,(H,15,17)/t11-/m0/s1
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Article
5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of MMP12 (unknown origin)-mediated Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 by fluorimetric assay


Citation and Details
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)

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


(Homo sapiens (Human))
BDBM120250
PNG
(US8691753, 99)
Show SMILES NC(=O)CC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1cc(cs1)-c1ccccc1)C(N)=O
Show InChI InChI=1S/C29H32N4O6S/c30-25(34)13-11-22(28(31)38)33-29(39)23(12-15-27(36)37)32-26(35)14-8-18-6-9-20(10-7-18)24-16-21(17-40-24)19-4-2-1-3-5-19/h1-7,9-10,16-17,22-23H,8,11-15H2,(H2,30,34)(H2,31,38)(H,32,35)(H,33,39)(H,36,37)/t22-,23-/m0/s1
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5.40n/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))
BDBM120173
PNG
(US8691753, 21)
Show SMILES NC(=O)CC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1cc(no1)-c1ccc(cc1)-c1ccccc1)C(N)=O
Show InChI InChI=1S/C28H31N5O7/c29-24(34)13-11-21(27(30)38)32-28(39)22(12-15-26(36)37)31-25(35)14-10-20-16-23(33-40-20)19-8-6-18(7-9-19)17-4-2-1-3-5-17/h1-9,16,21-22H,10-15H2,(H2,29,34)(H2,30,38)(H,31,35)(H,32,39)(H,36,37)/t21-,22-/m0/s1
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5.40n/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))
BDBM50434221
PNG
(CHEMBL2385490)
Show SMILES ONC(=O)CNS(=O)(=O)CCc1ccc(Cl)s1
Show InChI InChI=1S/C8H11ClN2O4S2/c9-7-2-1-6(16-7)3-4-17(14,15)10-5-8(12)11-13/h1-2,10,13H,3-5H2,(H,11,12)
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Article
6n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of MMP12 (unknown origin)-mediated Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 by fluorimetric assay


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


(Homo sapiens (Human))
BDBM50332949
PNG
((R)-N,3-dihydroxy-2-(4-methoxyphenylsulfonamido)pr...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N[C@H](CO)C(=O)NO
Show InChI InChI=1S/C10H14N2O6S/c1-18-7-2-4-8(5-3-7)19(16,17)12-9(6-13)10(14)11-15/h2-5,9,12-13,15H,6H2,1H3,(H,11,14)/t9-/m1/s1
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6n/an/an/an/an/an/an/an/a



ProtEra s.r.l.

Curated by ChEMBL


Assay Description
Inhibition of MMP12 by fluorimetric assay


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


(Homo sapiens (Human))
BDBM120216
PNG
(US8691753, 65)
Show SMILES NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C35H35N3O6/c36-34(43)31(22-24-8-17-29(39)18-9-24)38-35(44)30(19-21-33(41)42)37-32(40)20-10-23-6-11-26(12-7-23)28-15-13-27(14-16-28)25-4-2-1-3-5-25/h1-9,11-18,30-31,39H,10,19-22H2,(H2,36,43)(H,37,40)(H,38,44)(H,41,42)/t30-,31-/m0/s1
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6.60n/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-12 (MMP12)


(Homo sapiens (Human))
BDBM50332948
PNG
((R)-2-(N-((S)-2,3-dihydroxypropyl)-4-methoxyphenyl...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(C[C@H](O)CO)[C@H](CO)C(=O)NO
Show InChI InChI=1S/C13H20N2O8S/c1-23-10-2-4-11(5-3-10)24(21,22)15(6-9(18)7-16)12(8-17)13(19)14-20/h2-5,9,12,16-18,20H,6-8H2,1H3,(H,14,19)/t9-,12+/m0/s1
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7n/an/an/an/an/an/an/an/a



ProtEra s.r.l.

Curated by ChEMBL


Assay Description
Inhibition of MMP12 by fluorimetric assay


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


(Homo sapiens (Human))
BDBM50434223
PNG
(CHEMBL2385486)
Show SMILES OC(=O)CNS(=O)(=O)CCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C16H17NO4S/c18-16(19)12-17-22(20,21)11-10-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,17H,10-12H2,(H,18,19)
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Article
7n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of MMP12 (unknown origin)-mediated Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 by fluorimetric assay


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


(Homo sapiens (Human))
BDBM50332946
PNG
(CHEMBL1234724 | N-hydroxy-2-(N-(2-hydroxyethyl)-4-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CCO)CC(=O)NO
Show InChI InChI=1S/C11H16N2O6S/c1-19-9-2-4-10(5-3-9)20(17,18)13(6-7-14)8-11(15)12-16/h2-5,14,16H,6-8H2,1H3,(H,12,15)
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7.60n/an/an/an/an/an/an/an/a



ProtEra s.r.l.

Curated by ChEMBL


Assay Description
Inhibition of MMP12 by fluorimetric assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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)

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


(Homo sapiens (Human))
BDBM50332947
PNG
((S)-2-(N-(2,3-dihydroxypropyl)-4-methoxyphenylsulf...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(C[C@H](O)CO)CC(=O)NO
Show InChI InChI=1S/C12H18N2O7S/c1-21-10-2-4-11(5-3-10)22(19,20)14(6-9(16)8-15)7-12(17)13-18/h2-5,9,15-16,18H,6-8H2,1H3,(H,13,17)/t9-/m0/s1
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8n/an/an/an/an/an/an/an/a



ProtEra s.r.l.

Curated by ChEMBL


Assay Description
Inhibition of MMP12 by fluorimetric assay


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


(Homo sapiens (Human))
BDBM120170
PNG
(US8691753, 18)
Show SMILES CC[C@H](NC(=O)CCc1cc(no1)-c1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C26H28N4O6/c1-2-20(26(35)29-22(25(27)34)15-24(32)33)28-23(31)13-12-19-14-21(30-36-19)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-11,14,20,22H,2,12-13,15H2,1H3,(H2,27,34)(H,28,31)(H,29,35)(H,32,33)/t20-,22-/m0/s1
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8n/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))
BDBM120241
PNG
(US8691753, 90)
Show SMILES OC(=O)CC[C@H](NC(=O)CCc1ccc(cc1)-c1cccs1)C(=O)Nc1cccc(CC(O)=O)c1
Show InChI InChI=1S/C26H26N2O6S/c29-23(12-8-17-6-9-19(10-7-17)22-5-2-14-35-22)28-21(11-13-24(30)31)26(34)27-20-4-1-3-18(15-20)16-25(32)33/h1-7,9-10,14-15,21H,8,11-13,16H2,(H,27,34)(H,28,29)(H,30,31)(H,32,33)/t21-/m0/s1
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8n/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))
BDBM120164
PNG
(US8691753, 12)
Show SMILES NC(=O)[C@H](CCCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1cc(no1)-c1ccc(cc1)-c1cccc(Cl)c1
Show InChI InChI=1S/C29H31ClN4O8/c30-20-4-1-3-19(15-20)17-7-9-18(10-8-17)24-16-21(42-34-24)11-13-25(35)32-23(12-14-27(38)39)29(41)33-22(28(31)40)5-2-6-26(36)37/h1,3-4,7-10,15-16,22-23H,2,5-6,11-14H2,(H2,31,40)(H,32,35)(H,33,41)(H,36,37)(H,38,39)/t22-,23-/m0/s1
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8.20n/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)

More data for this
Ligand-Target Pair
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