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PubMed code 24900710

Compile data set for download or QSAR
Found 25 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))
BDBM50434226
PNG
(CHEMBL2385483)
Show SMILES COc1ccc(CCS(=O)(=O)N2CCC[C@H]2C(=O)NO)cc1 |r|
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



University of Florence

Curated by ChEMBL


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


ACS Med Chem Lett 4: 565-9 (2013)


Article DOI: 10.1021/ml300446a
BindingDB Entry DOI: 10.7270/Q2B859HT
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50434222
PNG
(CHEMBL2385487)
Show SMILES ONC(=O)[C@H]1CCCN1S(=O)(=O)CCc1ccc(cc1)-c1ccccc1 |r|
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



University of Florence

Curated by ChEMBL


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


ACS Med Chem Lett 4: 565-9 (2013)


Article DOI: 10.1021/ml300446a
BindingDB Entry DOI: 10.7270/Q2B859HT
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(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



University of Florence

Curated by ChEMBL


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


ACS Med Chem Lett 4: 565-9 (2013)


Article DOI: 10.1021/ml300446a
BindingDB Entry DOI: 10.7270/Q2B859HT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50434224
PNG
(CHEMBL2385485)
Show SMILES ONC(=O)[C@H]1CCCN1S(=O)(=O)CCc1ccc(Oc2ccccc2)cc1 |r|
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



University of Florence

Curated by ChEMBL


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


ACS Med Chem Lett 4: 565-9 (2013)


Article DOI: 10.1021/ml300446a
BindingDB Entry DOI: 10.7270/Q2B859HT
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50434213
PNG
(CHEMBL2385489)
Show SMILES ONC(=O)[C@@H]1CCCN1S(=O)(=O)CCc1ccc2OCOc2c1 |r|
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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5n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


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


ACS Med Chem Lett 4: 565-9 (2013)


Article DOI: 10.1021/ml300446a
BindingDB Entry DOI: 10.7270/Q2B859HT
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(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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6n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


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


ACS Med Chem Lett 4: 565-9 (2013)


Article DOI: 10.1021/ml300446a
BindingDB Entry DOI: 10.7270/Q2B859HT
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(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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7n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


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


ACS Med Chem Lett 4: 565-9 (2013)


Article DOI: 10.1021/ml300446a
BindingDB Entry DOI: 10.7270/Q2B859HT
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50434219
PNG
(CHEMBL2385492)
Show SMILES ONC(=O)[C@@H]1CCCN1S(=O)(=O)CCc1ccc(Cl)s1 |r|
Show InChI InChI=1S/C11H15ClN2O4S2/c12-10-4-3-8(19-10)5-7-20(17,18)14-6-1-2-9(14)11(15)13-16/h3-4,9,16H,1-2,5-7H2,(H,13,15)/t9-/m0/s1
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9n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


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


ACS Med Chem Lett 4: 565-9 (2013)


Article DOI: 10.1021/ml300446a
BindingDB Entry DOI: 10.7270/Q2B859HT
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50434227
PNG
(CHEMBL2385482)
Show SMILES COc1ccc(CCS(=O)(=O)NCC(=O)NO)cc1
Show InChI InChI=1S/C11H16N2O5S/c1-18-10-4-2-9(3-5-10)6-7-19(16,17)12-8-11(14)13-15/h2-5,12,15H,6-8H2,1H3,(H,13,14)
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10n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


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


ACS Med Chem Lett 4: 565-9 (2013)


Article DOI: 10.1021/ml300446a
BindingDB Entry DOI: 10.7270/Q2B859HT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50434225
PNG
(CHEMBL2385484)
Show SMILES ONC(=O)CNS(=O)(=O)CCc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C16H18N2O5S/c19-16(18-20)12-17-24(21,22)11-10-13-6-8-15(9-7-13)23-14-4-2-1-3-5-14/h1-9,17,20H,10-12H2,(H,18,19)
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10n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


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


ACS Med Chem Lett 4: 565-9 (2013)


Article DOI: 10.1021/ml300446a
BindingDB Entry DOI: 10.7270/Q2B859HT
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50434214
PNG
(CHEMBL2385488)
Show SMILES ONC(=O)CNS(=O)(=O)CCc1ccc2OCOc2c1
Show InChI InChI=1S/C11H14N2O6S/c14-11(13-15)6-12-20(16,17)4-3-8-1-2-9-10(5-8)19-7-18-9/h1-2,5,12,15H,3-4,6-7H2,(H,13,14)
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15n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


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


ACS Med Chem Lett 4: 565-9 (2013)


Article DOI: 10.1021/ml300446a
BindingDB Entry DOI: 10.7270/Q2B859HT
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50434215
PNG
(CHEMBL2385481)
Show SMILES ONC(=O)[C@H]1CCCN1S(=O)(=O)CCc1ccccc1 |r|
Show InChI InChI=1S/C13H18N2O4S/c16-13(14-17)12-7-4-9-15(12)20(18,19)10-8-11-5-2-1-3-6-11/h1-3,5-6,12,17H,4,7-10H2,(H,14,16)/t12-/m1/s1
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16n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


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


ACS Med Chem Lett 4: 565-9 (2013)


Article DOI: 10.1021/ml300446a
BindingDB Entry DOI: 10.7270/Q2B859HT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM11328
PNG
(CHEMBL83508 | Hydroxamate 9 | N-hydroxy-2-[(4-meth...)
Show SMILES COc1ccc(cc1)S(=O)(=O)NCC(=O)NO
Show InChI InChI=1S/C9H12N2O5S/c1-16-7-2-4-8(5-3-7)17(14,15)10-6-9(12)11-13/h2-5,10,13H,6H2,1H3,(H,11,12)
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20n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


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


ACS Med Chem Lett 4: 565-9 (2013)


Article DOI: 10.1021/ml300446a
BindingDB Entry DOI: 10.7270/Q2B859HT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50434216
PNG
(CHEMBL2385480)
Show SMILES ONC(=O)CNS(=O)(=O)CCc1ccccc1
Show InChI InChI=1S/C10H14N2O4S/c13-10(12-14)8-11-17(15,16)7-6-9-4-2-1-3-5-9/h1-5,11,14H,6-8H2,(H,12,13)
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23n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


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


ACS Med Chem Lett 4: 565-9 (2013)


Article DOI: 10.1021/ml300446a
BindingDB Entry DOI: 10.7270/Q2B859HT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50434217
PNG
(CHEMBL2385479)
Show SMILES ONC(=O)CNS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C8H10N2O4S/c11-8(10-12)6-9-15(13,14)7-4-2-1-3-5-7/h1-5,9,12H,6H2,(H,10,11)
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62n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


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


ACS Med Chem Lett 4: 565-9 (2013)


Article DOI: 10.1021/ml300446a
BindingDB Entry DOI: 10.7270/Q2B859HT
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50434220
PNG
(CHEMBL2385491)
Show SMILES OC(=O)CNS(=O)(=O)CCc1ccc(Cl)s1
Show InChI InChI=1S/C8H10ClNO4S2/c9-7-2-1-6(15-7)3-4-16(13,14)10-5-8(11)12/h1-2,10H,3-5H2,(H,11,12)
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272n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


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


ACS Med Chem Lett 4: 565-9 (2013)


Article DOI: 10.1021/ml300446a
BindingDB Entry DOI: 10.7270/Q2B859HT
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50434218
PNG
(CHEMBL2385493)
Show SMILES OC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 |r|
Show InChI InChI=1S/C9H10ClNO4S2/c10-7-3-4-8(16-7)17(14,15)11-5-1-2-6(11)9(12)13/h3-4,6H,1-2,5H2,(H,12,13)/t6-/m0/s1
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672n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


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


ACS Med Chem Lett 4: 565-9 (2013)


Article DOI: 10.1021/ml300446a
BindingDB Entry DOI: 10.7270/Q2B859HT
More data for this
Ligand-Target Pair
Matrilysin


(Homo sapiens (Human))
BDBM11328
PNG
(CHEMBL83508 | Hydroxamate 9 | N-hydroxy-2-[(4-meth...)
Show SMILES COc1ccc(cc1)S(=O)(=O)NCC(=O)NO
Show InChI InChI=1S/C9H12N2O5S/c1-16-7-2-4-8(5-3-7)17(14,15)10-6-9(12)11-13/h2-5,10,13H,6H2,1H3,(H,11,12)
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4.00E+3n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of MMP7 (unknown origin)-mediated Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 by fluorimetric assay


ACS Med Chem Lett 4: 565-9 (2013)


Article DOI: 10.1021/ml300446a
BindingDB Entry DOI: 10.7270/Q2B859HT
More data for this
Ligand-Target Pair
Matrilysin


(Homo sapiens (Human))
BDBM50434217
PNG
(CHEMBL2385479)
Show SMILES ONC(=O)CNS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C8H10N2O4S/c11-8(10-12)6-9-15(13,14)7-4-2-1-3-5-7/h1-5,9,12H,6H2,(H,10,11)
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4.00E+3n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of MMP7 (unknown origin)-mediated Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 by fluorimetric assay


ACS Med Chem Lett 4: 565-9 (2013)


Article DOI: 10.1021/ml300446a
BindingDB Entry DOI: 10.7270/Q2B859HT
More data for this
Ligand-Target Pair
Matrilysin


(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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5.00E+3n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of MMP7 (unknown origin)-mediated Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 by fluorimetric assay


ACS Med Chem Lett 4: 565-9 (2013)


Article DOI: 10.1021/ml300446a
BindingDB Entry DOI: 10.7270/Q2B859HT
More data for this
Ligand-Target Pair
Matrilysin


(Homo sapiens (Human))
BDBM50434213
PNG
(CHEMBL2385489)
Show SMILES ONC(=O)[C@@H]1CCCN1S(=O)(=O)CCc1ccc2OCOc2c1 |r|
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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6.00E+3n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of MMP7 (unknown origin)-mediated Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 by fluorimetric assay


ACS Med Chem Lett 4: 565-9 (2013)


Article DOI: 10.1021/ml300446a
BindingDB Entry DOI: 10.7270/Q2B859HT
More data for this
Ligand-Target Pair
Matrilysin


(Homo sapiens (Human))
BDBM50434215
PNG
(CHEMBL2385481)
Show SMILES ONC(=O)[C@H]1CCCN1S(=O)(=O)CCc1ccccc1 |r|
Show InChI InChI=1S/C13H18N2O4S/c16-13(14-17)12-7-4-9-15(12)20(18,19)10-8-11-5-2-1-3-6-11/h1-3,5-6,12,17H,4,7-10H2,(H,14,16)/t12-/m1/s1
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7.00E+3n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of MMP7 (unknown origin)-mediated Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 by fluorimetric assay


ACS Med Chem Lett 4: 565-9 (2013)


Article DOI: 10.1021/ml300446a
BindingDB Entry DOI: 10.7270/Q2B859HT
More data for this
Ligand-Target Pair
Matrilysin


(Homo sapiens (Human))
BDBM50434216
PNG
(CHEMBL2385480)
Show SMILES ONC(=O)CNS(=O)(=O)CCc1ccccc1
Show InChI InChI=1S/C10H14N2O4S/c13-10(12-14)8-11-17(15,16)7-6-9-4-2-1-3-5-9/h1-5,11,14H,6-8H2,(H,12,13)
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1.07E+4n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of MMP7 (unknown origin)-mediated Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 by fluorimetric assay


ACS Med Chem Lett 4: 565-9 (2013)


Article DOI: 10.1021/ml300446a
BindingDB Entry DOI: 10.7270/Q2B859HT
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50400562
PNG
(CHEMBL1335679)
Show SMILES OC(=O)CNS(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C14H13NO4S/c16-14(17)10-15-20(18,19)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,15H,10H2,(H,16,17)
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1.80E+4n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


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


ACS Med Chem Lett 4: 565-9 (2013)


Article DOI: 10.1021/ml300446a
BindingDB Entry DOI: 10.7270/Q2B859HT
More data for this
Ligand-Target Pair
Matrilysin


(Homo sapiens (Human))
BDBM50434214
PNG
(CHEMBL2385488)
Show SMILES ONC(=O)CNS(=O)(=O)CCc1ccc2OCOc2c1
Show InChI InChI=1S/C11H14N2O6S/c14-11(13-15)6-12-20(16,17)4-3-8-1-2-9-10(5-8)19-7-18-9/h1-2,5,12,15H,3-4,6-7H2,(H,13,14)
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1.85E+4n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of MMP7 (unknown origin)-mediated Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 by fluorimetric assay


ACS Med Chem Lett 4: 565-9 (2013)


Article DOI: 10.1021/ml300446a
BindingDB Entry DOI: 10.7270/Q2B859HT
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%