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PubMed code 22153340

Compile data set for download or QSAR
Found 37 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50360964
PNG
(CHEMBL1935285)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(cc21)-c1ccc(C)o1)C(O)=O |r|
Show InChI InChI=1S/C22H21NO6S/c1-12(2)21(22(24)25)23-30(26,27)15-6-7-16-17-10-14(18-8-4-13(3)28-18)5-9-19(17)29-20(16)11-15/h4-12,21,23H,1-3H3,(H,24,25)/t21-/m0/s1
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n/an/a 0.100n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-12


Bioorg Med Chem Lett 22: 138-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.046
BindingDB Entry DOI: 10.7270/Q2SJ1M20
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50360965
PNG
(CHEMBL1935286)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(cc21)-c1ccc(Cl)o1)C(O)=O |r|
Show InChI InChI=1S/C21H18ClNO6S/c1-11(2)20(21(24)25)23-30(26,27)13-4-5-14-15-9-12(16-7-8-19(22)29-16)3-6-17(15)28-18(14)10-13/h3-11,20,23H,1-2H3,(H,24,25)/t20-/m0/s1
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n/an/a 0.100n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-12


Bioorg Med Chem Lett 22: 138-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.046
BindingDB Entry DOI: 10.7270/Q2SJ1M20
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50360966
PNG
(CHEMBL1935287)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(cc21)-c1cccs1)C(O)=O |r|
Show InChI InChI=1S/C21H19NO5S2/c1-12(2)20(21(23)24)22-29(25,26)14-6-7-15-16-10-13(19-4-3-9-28-19)5-8-17(16)27-18(15)11-14/h3-12,20,22H,1-2H3,(H,23,24)/t20-/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-12


Bioorg Med Chem Lett 22: 138-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.046
BindingDB Entry DOI: 10.7270/Q2SJ1M20
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50360967
PNG
(CHEMBL1935288)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(cc21)-c1ccc(C)s1)C(O)=O |r|
Show InChI InChI=1S/C22H21NO5S2/c1-12(2)21(22(24)25)23-30(26,27)15-6-7-16-17-10-14(20-9-4-13(3)29-20)5-8-18(17)28-19(16)11-15/h4-12,21,23H,1-3H3,(H,24,25)/t21-/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-12


Bioorg Med Chem Lett 22: 138-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.046
BindingDB Entry DOI: 10.7270/Q2SJ1M20
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50360956
PNG
(CHEMBL1935304)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(cc21)-c1noc(n1)C1CCOC1)C(O)=O |r|
Show InChI InChI=1S/C23H23N3O7S/c1-12(2)20(23(27)28)26-34(29,30)15-4-5-16-17-9-13(3-6-18(17)32-19(16)10-15)21-24-22(33-25-21)14-7-8-31-11-14/h3-6,9-10,12,14,20,26H,7-8,11H2,1-2H3,(H,27,28)/t14?,20-/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-12


Bioorg Med Chem Lett 22: 138-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.046
BindingDB Entry DOI: 10.7270/Q2SJ1M20
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50360963
PNG
(CHEMBL1935284)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(cc21)-c1ccoc1)C(O)=O |r|
Show InChI InChI=1S/C21H19NO6S/c1-12(2)20(21(23)24)22-29(25,26)15-4-5-16-17-9-13(14-7-8-27-11-14)3-6-18(17)28-19(16)10-15/h3-12,20,22H,1-2H3,(H,23,24)/t20-/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-12


Bioorg Med Chem Lett 22: 138-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.046
BindingDB Entry DOI: 10.7270/Q2SJ1M20
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50360968
PNG
(CHEMBL1935290)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(cc21)-c1ccc[nH]1)C(O)=O |r|
Show InChI InChI=1S/C21H20N2O5S/c1-12(2)20(21(24)25)23-29(26,27)14-6-7-15-16-10-13(17-4-3-9-22-17)5-8-18(16)28-19(15)11-14/h3-12,20,22-23H,1-2H3,(H,24,25)/t20-/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-12


Bioorg Med Chem Lett 22: 138-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.046
BindingDB Entry DOI: 10.7270/Q2SJ1M20
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50360959
PNG
(CHEMBL1935280)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(cc21)-n1ccc(n1)C(F)(F)F)C(O)=O |r|
Show InChI InChI=1S/C21H18F3N3O5S/c1-11(2)19(20(28)29)26-33(30,31)13-4-5-14-15-9-12(3-6-16(15)32-17(14)10-13)27-8-7-18(25-27)21(22,23)24/h3-11,19,26H,1-2H3,(H,28,29)/t19-/m0/s1
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n/an/a 0.700n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-12


Bioorg Med Chem Lett 22: 138-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.046
BindingDB Entry DOI: 10.7270/Q2SJ1M20
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50026624
PNG
(CHEMBL1935289)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(cc21)-c1cc[nH]n1)C(O)=O |r|
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n/an/a<1n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-12


Bioorg Med Chem Lett 22: 138-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.046
BindingDB Entry DOI: 10.7270/Q2SJ1M20
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50360969
PNG
(CHEMBL1935291)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(cc21)-c1nccs1)C(O)=O |r|
Show InChI InChI=1S/C20H18N2O5S2/c1-11(2)18(20(23)24)22-29(25,26)13-4-5-14-15-9-12(19-21-7-8-28-19)3-6-16(15)27-17(14)10-13/h3-11,18,22H,1-2H3,(H,23,24)/t18-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-12


Bioorg Med Chem Lett 22: 138-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.046
BindingDB Entry DOI: 10.7270/Q2SJ1M20
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50360970
PNG
(CHEMBL1935292)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(cc21)-c1ncc(C)s1)C(O)=O |r|
Show InChI InChI=1S/C21H20N2O5S2/c1-11(2)19(21(24)25)23-30(26,27)14-5-6-15-16-8-13(20-22-10-12(3)29-20)4-7-17(16)28-18(15)9-14/h4-11,19,23H,1-3H3,(H,24,25)/t19-/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-12


Bioorg Med Chem Lett 22: 138-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.046
BindingDB Entry DOI: 10.7270/Q2SJ1M20
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50360952
PNG
(CHEMBL1935300)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(cc21)-c1noc(n1)C1CC1)C(O)=O |r|
Show InChI InChI=1S/C22H21N3O6S/c1-11(2)19(22(26)27)25-32(28,29)14-6-7-15-16-9-13(5-8-17(16)30-18(15)10-14)20-23-21(31-24-20)12-3-4-12/h5-12,19,25H,3-4H2,1-2H3,(H,26,27)/t19-/m0/s1
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n/an/a 1.60n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-12


Bioorg Med Chem Lett 22: 138-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.046
BindingDB Entry DOI: 10.7270/Q2SJ1M20
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50360950
PNG
(CHEMBL1935298)
Show SMILES COCc1nc(no1)-c1ccc2oc3cc(ccc3c2c1)S(=O)(=O)N[C@@H](C(C)C)C(O)=O |r|
Show InChI InChI=1S/C21H21N3O7S/c1-11(2)19(21(25)26)24-32(27,28)13-5-6-14-15-8-12(4-7-16(15)30-17(14)9-13)20-22-18(10-29-3)31-23-20/h4-9,11,19,24H,10H2,1-3H3,(H,25,26)/t19-/m0/s1
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n/an/a 1.90n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-12


Bioorg Med Chem Lett 22: 138-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.046
BindingDB Entry DOI: 10.7270/Q2SJ1M20
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50295479
PNG
((S)-3-Methyl-2-(8-(2-oxooxazolidin-3-yl)dibenzo[b,...)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(cc21)N1CCOC1=O)C(O)=O |r|
Show InChI InChI=1S/C20H20N2O7S/c1-11(2)18(19(23)24)21-30(26,27)13-4-5-14-15-9-12(22-7-8-28-20(22)25)3-6-16(15)29-17(14)10-13/h3-6,9-11,18,21H,7-8H2,1-2H3,(H,23,24)/t18-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-12


Bioorg Med Chem Lett 22: 138-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.046
BindingDB Entry DOI: 10.7270/Q2SJ1M20
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50360962
PNG
(CHEMBL1935283)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(cc21)N1CCOCC1)C(O)=O |r|
Show InChI InChI=1S/C21H24N2O6S/c1-13(2)20(21(24)25)22-30(26,27)15-4-5-16-17-11-14(23-7-9-28-10-8-23)3-6-18(17)29-19(16)12-15/h3-6,11-13,20,22H,7-10H2,1-2H3,(H,24,25)/t20-/m0/s1
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n/an/a 2.20n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-12


Bioorg Med Chem Lett 22: 138-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.046
BindingDB Entry DOI: 10.7270/Q2SJ1M20
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50360951
PNG
(CHEMBL1935299)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(cc21)-c1noc(n1)C(F)(F)F)C(O)=O |r|
Show InChI InChI=1S/C20H16F3N3O6S/c1-9(2)16(18(27)28)26-33(29,30)11-4-5-12-13-7-10(3-6-14(13)31-15(12)8-11)17-24-19(32-25-17)20(21,22)23/h3-9,16,26H,1-2H3,(H,27,28)/t16-/m0/s1
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n/an/a 2.20n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-12


Bioorg Med Chem Lett 22: 138-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.046
BindingDB Entry DOI: 10.7270/Q2SJ1M20
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50360953
PNG
(CHEMBL1935301)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(cc21)-c1noc(n1)C1CCC1)C(O)=O |r|
Show InChI InChI=1S/C23H23N3O6S/c1-12(2)20(23(27)28)26-33(29,30)15-7-8-16-17-10-14(6-9-18(17)31-19(16)11-15)21-24-22(32-25-21)13-4-3-5-13/h6-13,20,26H,3-5H2,1-2H3,(H,27,28)/t20-/m0/s1
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n/an/a 2.30n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-12


Bioorg Med Chem Lett 22: 138-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.046
BindingDB Entry DOI: 10.7270/Q2SJ1M20
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50360972
PNG
(CHEMBL1935294)
Show SMILES CCc1nc(no1)-c1ccc2oc3cc(ccc3c2c1)S(=O)(=O)N[C@@H](C(C)C)C(O)=O |r|
Show InChI InChI=1S/C21H21N3O6S/c1-4-18-22-20(23-30-18)12-5-8-16-15(9-12)14-7-6-13(10-17(14)29-16)31(27,28)24-19(11(2)3)21(25)26/h5-11,19,24H,4H2,1-3H3,(H,25,26)/t19-/m0/s1
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n/an/a 2.90n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-12


Bioorg Med Chem Lett 22: 138-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.046
BindingDB Entry DOI: 10.7270/Q2SJ1M20
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50360955
PNG
(CHEMBL1935303)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(cc21)-c1noc(n1)-c1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C25H21N3O6S/c1-14(2)22(25(29)30)28-35(31,32)17-9-10-18-19-12-16(8-11-20(19)33-21(18)13-17)23-26-24(34-27-23)15-6-4-3-5-7-15/h3-14,22,28H,1-2H3,(H,29,30)/t22-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-12


Bioorg Med Chem Lett 22: 138-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.046
BindingDB Entry DOI: 10.7270/Q2SJ1M20
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50360947
PNG
(CHEMBL1935295)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(cc21)-c1noc(n1)C(C)C)C(O)=O |r|
Show InChI InChI=1S/C22H23N3O6S/c1-11(2)19(22(26)27)25-32(28,29)14-6-7-15-16-9-13(5-8-17(16)30-18(15)10-14)20-23-21(12(3)4)31-24-20/h5-12,19,25H,1-4H3,(H,26,27)/t19-/m0/s1
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n/an/a 4.5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-12


Bioorg Med Chem Lett 22: 138-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.046
BindingDB Entry DOI: 10.7270/Q2SJ1M20
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50360949
PNG
(CHEMBL1935297)
Show SMILES CC(C)Cc1nc(no1)-c1ccc2oc3cc(ccc3c2c1)S(=O)(=O)N[C@@H](C(C)C)C(O)=O |r|
Show InChI InChI=1S/C23H25N3O6S/c1-12(2)9-20-24-22(25-32-20)14-5-8-18-17(10-14)16-7-6-15(11-19(16)31-18)33(29,30)26-21(13(3)4)23(27)28/h5-8,10-13,21,26H,9H2,1-4H3,(H,27,28)/t21-/m0/s1
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n/an/a 5.40n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-12


Bioorg Med Chem Lett 22: 138-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.046
BindingDB Entry DOI: 10.7270/Q2SJ1M20
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50360954
PNG
(CHEMBL1935302)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(cc21)-c1noc(n1)C1CCCCC1)C(O)=O |r|
Show InChI InChI=1S/C25H27N3O6S/c1-14(2)22(25(29)30)28-35(31,32)17-9-10-18-19-12-16(8-11-20(19)33-21(18)13-17)23-26-24(34-27-23)15-6-4-3-5-7-15/h8-15,22,28H,3-7H2,1-2H3,(H,29,30)/t22-/m0/s1
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n/an/a 7.20n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-12


Bioorg Med Chem Lett 22: 138-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.046
BindingDB Entry DOI: 10.7270/Q2SJ1M20
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50360971
PNG
(CHEMBL1935293)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(cc21)-c1noc(C)n1)C(O)=O |r|
Show InChI InChI=1S/C20H19N3O6S/c1-10(2)18(20(24)25)23-30(26,27)13-5-6-14-15-8-12(19-21-11(3)29-22-19)4-7-16(15)28-17(14)9-13/h4-10,18,23H,1-3H3,(H,24,25)/t18-/m0/s1
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n/an/a 8.60n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-12


Bioorg Med Chem Lett 22: 138-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.046
BindingDB Entry DOI: 10.7270/Q2SJ1M20
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50360957
PNG
(CHEMBL1935278)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(cc21)-n1cncn1)C(O)=O |r|
Show InChI InChI=1S/C19H18N4O5S/c1-11(2)18(19(24)25)22-29(26,27)13-4-5-14-15-7-12(23-10-20-9-21-23)3-6-16(15)28-17(14)8-13/h3-11,18,22H,1-2H3,(H,24,25)/t18-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-12


Bioorg Med Chem Lett 22: 138-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.046
BindingDB Entry DOI: 10.7270/Q2SJ1M20
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50360958
PNG
(CHEMBL1935279)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(cc21)-n1cccn1)C(O)=O |r|
Show InChI InChI=1S/C20H19N3O5S/c1-12(2)19(20(24)25)22-29(26,27)14-5-6-15-16-10-13(23-9-3-8-21-23)4-7-17(16)28-18(15)11-14/h3-12,19,22H,1-2H3,(H,24,25)/t19-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-12


Bioorg Med Chem Lett 22: 138-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.046
BindingDB Entry DOI: 10.7270/Q2SJ1M20
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50360948
PNG
(CHEMBL1935296)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(cc21)-c1noc(n1)C(C)(C)C)C(O)=O |r|
Show InChI InChI=1S/C23H25N3O6S/c1-12(2)19(21(27)28)26-33(29,30)14-7-8-15-16-10-13(6-9-17(16)31-18(15)11-14)20-24-22(32-25-20)23(3,4)5/h6-12,19,26H,1-5H3,(H,27,28)/t19-/m0/s1
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n/an/a 17n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-12


Bioorg Med Chem Lett 22: 138-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.046
BindingDB Entry DOI: 10.7270/Q2SJ1M20
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50360961
PNG
(CHEMBL1935282)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(cc21)N1CCN(C)CC1)C(O)=O |r|
Show InChI InChI=1S/C22H27N3O5S/c1-14(2)21(22(26)27)23-31(28,29)16-5-6-17-18-12-15(25-10-8-24(3)9-11-25)4-7-19(18)30-20(17)13-16/h4-7,12-14,21,23H,8-11H2,1-3H3,(H,26,27)/t21-/m0/s1
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n/an/a 18n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-12


Bioorg Med Chem Lett 22: 138-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.046
BindingDB Entry DOI: 10.7270/Q2SJ1M20
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50360960
PNG
(CHEMBL1935281)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(cc21)N1CCNCC1)C(O)=O |r|
Show InChI InChI=1S/C21H25N3O5S/c1-13(2)20(21(25)26)23-30(27,28)15-4-5-16-17-11-14(24-9-7-22-8-10-24)3-6-18(17)29-19(16)12-15/h3-6,11-13,20,22-23H,7-10H2,1-2H3,(H,25,26)/t20-/m0/s1
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n/an/a 23n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-12


Bioorg Med Chem Lett 22: 138-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.046
BindingDB Entry DOI: 10.7270/Q2SJ1M20
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Oryctolagus cuniculus)
BDBM50360969
PNG
(CHEMBL1935291)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(cc21)-c1nccs1)C(O)=O |r|
Show InChI InChI=1S/C20H18N2O5S2/c1-11(2)18(20(23)24)22-29(25,26)13-4-5-14-15-9-12(19-21-7-8-28-19)3-6-16(15)27-17(14)10-13/h3-11,18,22H,1-2H3,(H,23,24)/t18-/m0/s1
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n/an/a 57n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of rabbit MMP-12


Bioorg Med Chem Lett 22: 138-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.046
BindingDB Entry DOI: 10.7270/Q2SJ1M20
More data for this
Ligand-Target Pair
Matrix metallopeptidase 12 [174-211]


(Canis familiaris)
BDBM50360969
PNG
(CHEMBL1935291)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(cc21)-c1nccs1)C(O)=O |r|
Show InChI InChI=1S/C20H18N2O5S2/c1-11(2)18(20(23)24)22-29(25,26)13-4-5-14-15-9-12(19-21-7-8-28-19)3-6-16(15)27-17(14)10-13/h3-11,18,22H,1-2H3,(H,23,24)/t18-/m0/s1
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n/an/a 70n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of dog MMP-12


Bioorg Med Chem Lett 22: 138-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.046
BindingDB Entry DOI: 10.7270/Q2SJ1M20
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Mus musculus)
BDBM50360969
PNG
(CHEMBL1935291)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(cc21)-c1nccs1)C(O)=O |r|
Show InChI InChI=1S/C20H18N2O5S2/c1-11(2)18(20(23)24)22-29(25,26)13-4-5-14-15-9-12(19-21-7-8-28-19)3-6-16(15)27-17(14)10-13/h3-11,18,22H,1-2H3,(H,23,24)/t18-/m0/s1
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n/an/a 85n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse MMP-12


Bioorg Med Chem Lett 22: 138-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.046
BindingDB Entry DOI: 10.7270/Q2SJ1M20
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50360969
PNG
(CHEMBL1935291)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(cc21)-c1nccs1)C(O)=O |r|
Show InChI InChI=1S/C20H18N2O5S2/c1-11(2)18(20(23)24)22-29(25,26)13-4-5-14-15-9-12(19-21-7-8-28-19)3-6-16(15)27-17(14)10-13/h3-11,18,22H,1-2H3,(H,23,24)/t18-/m0/s1
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n/an/a 154n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-8


Bioorg Med Chem Lett 22: 138-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.046
BindingDB Entry DOI: 10.7270/Q2SJ1M20
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50360969
PNG
(CHEMBL1935291)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(cc21)-c1nccs1)C(O)=O |r|
Show InChI InChI=1S/C20H18N2O5S2/c1-11(2)18(20(23)24)22-29(25,26)13-4-5-14-15-9-12(19-21-7-8-28-19)3-6-16(15)27-17(14)10-13/h3-11,18,22H,1-2H3,(H,23,24)/t18-/m0/s1
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n/an/a 501n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-2


Bioorg Med Chem Lett 22: 138-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.046
BindingDB Entry DOI: 10.7270/Q2SJ1M20
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50360969
PNG
(CHEMBL1935291)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(cc21)-c1nccs1)C(O)=O |r|
Show InChI InChI=1S/C20H18N2O5S2/c1-11(2)18(20(23)24)22-29(25,26)13-4-5-14-15-9-12(19-21-7-8-28-19)3-6-16(15)27-17(14)10-13/h3-11,18,22H,1-2H3,(H,23,24)/t18-/m0/s1
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n/an/a 1.97E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-9


Bioorg Med Chem Lett 22: 138-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.046
BindingDB Entry DOI: 10.7270/Q2SJ1M20
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50360969
PNG
(CHEMBL1935291)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(cc21)-c1nccs1)C(O)=O |r|
Show InChI InChI=1S/C20H18N2O5S2/c1-11(2)18(20(23)24)22-29(25,26)13-4-5-14-15-9-12(19-21-7-8-28-19)3-6-16(15)27-17(14)10-13/h3-11,18,22H,1-2H3,(H,23,24)/t18-/m0/s1
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n/an/a 1.98E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-13


Bioorg Med Chem Lett 22: 138-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.046
BindingDB Entry DOI: 10.7270/Q2SJ1M20
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50360969
PNG
(CHEMBL1935291)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(cc21)-c1nccs1)C(O)=O |r|
Show InChI InChI=1S/C20H18N2O5S2/c1-11(2)18(20(23)24)22-29(25,26)13-4-5-14-15-9-12(19-21-7-8-28-19)3-6-16(15)27-17(14)10-13/h3-11,18,22H,1-2H3,(H,23,24)/t18-/m0/s1
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n/an/a 2.53E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-3


Bioorg Med Chem Lett 22: 138-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.046
BindingDB Entry DOI: 10.7270/Q2SJ1M20
More data for this
Ligand-Target Pair
Matrilysin


(Homo sapiens (Human))
BDBM50360969
PNG
(CHEMBL1935291)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(cc21)-c1nccs1)C(O)=O |r|
Show InChI InChI=1S/C20H18N2O5S2/c1-11(2)18(20(23)24)22-29(25,26)13-4-5-14-15-9-12(19-21-7-8-28-19)3-6-16(15)27-17(14)10-13/h3-11,18,22H,1-2H3,(H,23,24)/t18-/m0/s1
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n/an/a 5.77E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-7


Bioorg Med Chem Lett 22: 138-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.046
BindingDB Entry DOI: 10.7270/Q2SJ1M20
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%