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PubMed code 26263024

Compile data set for download or QSAR
Found 47 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
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50119282
PNG
(CHEMBL3617404)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N(OC(C)C)[C@H](CCNC(C)=O)C(=O)NO |r|
Show InChI InChI=1/C22H29N3O7S/c1-15(2)32-25(21(22(27)24-28)13-14-23-16(3)26)33(29,30)20-11-7-18(8-12-20)17-5-9-19(31-4)10-6-17/h5-12,15,21,28H,13-14H2,1-4H3,(H,23,26)(H,24,27)/t21-/s2
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n/an/a 0.130n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human activated-MMP2 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as fluorogenic substrate incubated for 4 hrs follow...


J Med Chem 58: 7224-40 (2015)


BindingDB Entry DOI: 10.7270/Q2DV1MPR
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50119278
PNG
(CHEMBL3617407)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N(OC(C)C)[C@H](CCN1C(=O)c2ccccc2C1=O)C(=O)NO |r|
Show InChI InChI=1/C28H29N3O8S/c1-18(2)39-31(40(36,37)22-14-10-20(11-15-22)19-8-12-21(38-3)13-9-19)25(26(32)29-35)16-17-30-27(33)23-6-4-5-7-24(23)28(30)34/h4-15,18,25,35H,16-17H2,1-3H3,(H,29,32)/t25-/s2
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n/an/a 0.190n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human activated-MMP13 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as fluorogenic substrate incubated for 4 hrs follo...


J Med Chem 58: 7224-40 (2015)


BindingDB Entry DOI: 10.7270/Q2DV1MPR
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50119281
PNG
(CHEMBL3617405)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N(OC(C)C)[C@H](CCNC(=O)Cc1ccccc1)C(=O)NO |r|
Show InChI InChI=1/C28H33N3O7S/c1-20(2)38-31(26(28(33)30-34)17-18-29-27(32)19-21-7-5-4-6-8-21)39(35,36)25-15-11-23(12-16-25)22-9-13-24(37-3)14-10-22/h4-16,20,26,34H,17-19H2,1-3H3,(H,29,32)(H,30,33)/t26-/s2
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Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human activated-MMP13 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as fluorogenic substrate incubated for 4 hrs follo...


J Med Chem 58: 7224-40 (2015)


BindingDB Entry DOI: 10.7270/Q2DV1MPR
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50119285
PNG
(CHEMBL3617402)
Show SMILES CC(C)ON([C@H](CCNC(C)=O)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1/C21H27N3O6S/c1-15(2)30-24(20(21(26)23-27)13-14-22-16(3)25)31(28,29)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-12,15,20,27H,13-14H2,1-3H3,(H,22,25)(H,23,26)/t20-/s2
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n/an/a 0.330n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human activated-MMP2 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as fluorogenic substrate incubated for 4 hrs follow...


J Med Chem 58: 7224-40 (2015)


BindingDB Entry DOI: 10.7270/Q2DV1MPR
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50119281
PNG
(CHEMBL3617405)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N(OC(C)C)[C@H](CCNC(=O)Cc1ccccc1)C(=O)NO |r|
Show InChI InChI=1/C28H33N3O7S/c1-20(2)38-31(26(28(33)30-34)17-18-29-27(32)19-21-7-5-4-6-8-21)39(35,36)25-15-11-23(12-16-25)22-9-13-24(37-3)14-10-22/h4-16,20,26,34H,17-19H2,1-3H3,(H,29,32)(H,30,33)/t26-/s2
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Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human activated-MMP2 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as fluorogenic substrate incubated for 4 hrs follow...


J Med Chem 58: 7224-40 (2015)


BindingDB Entry DOI: 10.7270/Q2DV1MPR
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50119278
PNG
(CHEMBL3617407)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N(OC(C)C)[C@H](CCN1C(=O)c2ccccc2C1=O)C(=O)NO |r|
Show InChI InChI=1/C28H29N3O8S/c1-18(2)39-31(40(36,37)22-14-10-20(11-15-22)19-8-12-21(38-3)13-9-19)25(26(32)29-35)16-17-30-27(33)23-6-4-5-7-24(23)28(30)34/h4-15,18,25,35H,16-17H2,1-3H3,(H,29,32)/t25-/s2
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n/an/a 0.430n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human activated-MMP9 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as fluorogenic substrate incubated for 4 hrs follow...


J Med Chem 58: 7224-40 (2015)


BindingDB Entry DOI: 10.7270/Q2DV1MPR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Collagenase 3


(Homo sapiens (Human))
BDBM50119282
PNG
(CHEMBL3617404)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N(OC(C)C)[C@H](CCNC(C)=O)C(=O)NO |r|
Show InChI InChI=1/C22H29N3O7S/c1-15(2)32-25(21(22(27)24-28)13-14-23-16(3)26)33(29,30)20-11-7-18(8-12-20)17-5-9-19(31-4)10-6-17/h5-12,15,21,28H,13-14H2,1-4H3,(H,23,26)(H,24,27)/t21-/s2
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n/an/a 0.580n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human activated-MMP13 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as fluorogenic substrate incubated for 4 hrs follo...


J Med Chem 58: 7224-40 (2015)


BindingDB Entry DOI: 10.7270/Q2DV1MPR
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50119278
PNG
(CHEMBL3617407)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N(OC(C)C)[C@H](CCN1C(=O)c2ccccc2C1=O)C(=O)NO |r|
Show InChI InChI=1/C28H29N3O8S/c1-18(2)39-31(40(36,37)22-14-10-20(11-15-22)19-8-12-21(38-3)13-9-19)25(26(32)29-35)16-17-30-27(33)23-6-4-5-7-24(23)28(30)34/h4-15,18,25,35H,16-17H2,1-3H3,(H,29,32)/t25-/s2
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n/an/a 0.670n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human activated-MMP2 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as fluorogenic substrate incubated for 4 hrs follow...


J Med Chem 58: 7224-40 (2015)


BindingDB Entry DOI: 10.7270/Q2DV1MPR
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50119285
PNG
(CHEMBL3617402)
Show SMILES CC(C)ON([C@H](CCNC(C)=O)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1/C21H27N3O6S/c1-15(2)30-24(20(21(26)23-27)13-14-22-16(3)25)31(28,29)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-12,15,20,27H,13-14H2,1-3H3,(H,22,25)(H,23,26)/t20-/s2
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n/an/a 0.680n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human activated-MMP13 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as fluorogenic substrate incubated for 4 hrs follo...


J Med Chem 58: 7224-40 (2015)


BindingDB Entry DOI: 10.7270/Q2DV1MPR
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50119276
PNG
(CHEMBL3617401)
Show SMILES CC(C)ON([C@H](CCNS(C)(=O)=O)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1/C20H27N3O7S2/c1-15(2)30-23(19(20(24)22-25)13-14-21-31(3,26)27)32(28,29)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h4-12,15,19,21,25H,13-14H2,1-3H3,(H,22,24)/t19-/s2
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Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human activated-MMP2 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as fluorogenic substrate incubated for 4 hrs follow...


J Med Chem 58: 7224-40 (2015)


BindingDB Entry DOI: 10.7270/Q2DV1MPR
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50119284
PNG
(CHEMBL3617403)
Show SMILES CC(C)ON([C@H](CCNC(=O)Cc1ccccc1)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1/C27H31N3O6S/c1-20(2)36-30(37(34,35)24-15-13-23(14-16-24)22-11-7-4-8-12-22)25(27(32)29-33)17-18-28-26(31)19-21-9-5-3-6-10-21/h3-16,20,25,33H,17-19H2,1-2H3,(H,28,31)(H,29,32)/t25-/s2
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Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human activated-MMP2 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as fluorogenic substrate incubated for 4 hrs follow...


J Med Chem 58: 7224-40 (2015)


BindingDB Entry DOI: 10.7270/Q2DV1MPR
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50119284
PNG
(CHEMBL3617403)
Show SMILES CC(C)ON([C@H](CCNC(=O)Cc1ccccc1)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1/C27H31N3O6S/c1-20(2)36-30(37(34,35)24-15-13-23(14-16-24)22-11-7-4-8-12-22)25(27(32)29-33)17-18-28-26(31)19-21-9-5-3-6-10-21/h3-16,20,25,33H,17-19H2,1-2H3,(H,28,31)(H,29,32)/t25-/s2
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Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human activated-MMP13 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as fluorogenic substrate incubated for 4 hrs follo...


J Med Chem 58: 7224-40 (2015)


BindingDB Entry DOI: 10.7270/Q2DV1MPR
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50119277
PNG
(CHEMBL3617400)
Show SMILES CC(C)ON([C@H](CCNC(=O)c1ccccc1)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1/C26H29N3O6S/c1-19(2)35-29(24(26(31)28-32)17-18-27-25(30)22-11-7-4-8-12-22)36(33,34)23-15-13-21(14-16-23)20-9-5-3-6-10-20/h3-16,19,24,32H,17-18H2,1-2H3,(H,27,30)(H,28,31)/t24-/s2
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Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human activated-MMP2 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as fluorogenic substrate incubated for 4 hrs follow...


J Med Chem 58: 7224-40 (2015)


BindingDB Entry DOI: 10.7270/Q2DV1MPR
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50119282
PNG
(CHEMBL3617404)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N(OC(C)C)[C@H](CCNC(C)=O)C(=O)NO |r|
Show InChI InChI=1/C22H29N3O7S/c1-15(2)32-25(21(22(27)24-28)13-14-23-16(3)26)33(29,30)20-11-7-18(8-12-20)17-5-9-19(31-4)10-6-17/h5-12,15,21,28H,13-14H2,1-4H3,(H,23,26)(H,24,27)/t21-/s2
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Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human activated-MMP9 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as fluorogenic substrate incubated for 4 hrs follow...


J Med Chem 58: 7224-40 (2015)


BindingDB Entry DOI: 10.7270/Q2DV1MPR
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50119276
PNG
(CHEMBL3617401)
Show SMILES CC(C)ON([C@H](CCNS(C)(=O)=O)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1/C20H27N3O7S2/c1-15(2)30-23(19(20(24)22-25)13-14-21-31(3,26)27)32(28,29)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h4-12,15,19,21,25H,13-14H2,1-3H3,(H,22,24)/t19-/s2
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Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human activated-MMP13 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as fluorogenic substrate incubated for 4 hrs follo...


J Med Chem 58: 7224-40 (2015)


BindingDB Entry DOI: 10.7270/Q2DV1MPR
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50119281
PNG
(CHEMBL3617405)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N(OC(C)C)[C@H](CCNC(=O)Cc1ccccc1)C(=O)NO |r|
Show InChI InChI=1/C28H33N3O7S/c1-20(2)38-31(26(28(33)30-34)17-18-29-27(32)19-21-7-5-4-6-8-21)39(35,36)25-15-11-23(12-16-25)22-9-13-24(37-3)14-10-22/h4-16,20,26,34H,17-19H2,1-3H3,(H,29,32)(H,30,33)/t26-/s2
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n/an/a 2.90n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human activated-MMP9 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as fluorogenic substrate incubated for 4 hrs follow...


J Med Chem 58: 7224-40 (2015)


BindingDB Entry DOI: 10.7270/Q2DV1MPR
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50119278
PNG
(CHEMBL3617407)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N(OC(C)C)[C@H](CCN1C(=O)c2ccccc2C1=O)C(=O)NO |r|
Show InChI InChI=1/C28H29N3O8S/c1-18(2)39-31(40(36,37)22-14-10-20(11-15-22)19-8-12-21(38-3)13-9-19)25(26(32)29-35)16-17-30-27(33)23-6-4-5-7-24(23)28(30)34/h4-15,18,25,35H,16-17H2,1-3H3,(H,29,32)/t25-/s2
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n/an/a 3.90n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human catalytic domain MMP14 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as fluorogenic substrate incubated for 4 hr...


J Med Chem 58: 7224-40 (2015)


BindingDB Entry DOI: 10.7270/Q2DV1MPR
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50119277
PNG
(CHEMBL3617400)
Show SMILES CC(C)ON([C@H](CCNC(=O)c1ccccc1)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1/C26H29N3O6S/c1-19(2)35-29(24(26(31)28-32)17-18-27-25(30)22-11-7-4-8-12-22)36(33,34)23-15-13-21(14-16-23)20-9-5-3-6-10-20/h3-16,19,24,32H,17-18H2,1-2H3,(H,27,30)(H,28,31)/t24-/s2
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n/an/a 4.60n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human activated-MMP13 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as fluorogenic substrate incubated for 4 hrs follo...


J Med Chem 58: 7224-40 (2015)


BindingDB Entry DOI: 10.7270/Q2DV1MPR
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50119284
PNG
(CHEMBL3617403)
Show SMILES CC(C)ON([C@H](CCNC(=O)Cc1ccccc1)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1/C27H31N3O6S/c1-20(2)36-30(37(34,35)24-15-13-23(14-16-24)22-11-7-4-8-12-22)25(27(32)29-33)17-18-28-26(31)19-21-9-5-3-6-10-21/h3-16,20,25,33H,17-19H2,1-2H3,(H,28,31)(H,29,32)/t25-/s2
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n/an/a 6.40n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human activated-MMP9 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as fluorogenic substrate incubated for 4 hrs follow...


J Med Chem 58: 7224-40 (2015)


BindingDB Entry DOI: 10.7270/Q2DV1MPR
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50119285
PNG
(CHEMBL3617402)
Show SMILES CC(C)ON([C@H](CCNC(C)=O)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1/C21H27N3O6S/c1-15(2)30-24(20(21(26)23-27)13-14-22-16(3)25)31(28,29)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-12,15,20,27H,13-14H2,1-3H3,(H,22,25)(H,23,26)/t20-/s2
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n/an/a 6.5n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human activated-MMP9 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as fluorogenic substrate incubated for 4 hrs follow...


J Med Chem 58: 7224-40 (2015)


BindingDB Entry DOI: 10.7270/Q2DV1MPR
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50119276
PNG
(CHEMBL3617401)
Show SMILES CC(C)ON([C@H](CCNS(C)(=O)=O)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1/C20H27N3O7S2/c1-15(2)30-23(19(20(24)22-25)13-14-21-31(3,26)27)32(28,29)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h4-12,15,19,21,25H,13-14H2,1-3H3,(H,22,24)/t19-/s2
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n/an/a 8.60n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human activated-MMP9 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as fluorogenic substrate incubated for 4 hrs follow...


J Med Chem 58: 7224-40 (2015)


BindingDB Entry DOI: 10.7270/Q2DV1MPR
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50119277
PNG
(CHEMBL3617400)
Show SMILES CC(C)ON([C@H](CCNC(=O)c1ccccc1)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1/C26H29N3O6S/c1-19(2)35-29(24(26(31)28-32)17-18-27-25(30)22-11-7-4-8-12-22)36(33,34)23-15-13-21(14-16-23)20-9-5-3-6-10-20/h3-16,19,24,32H,17-18H2,1-2H3,(H,27,30)(H,28,31)/t24-/s2
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n/an/a 9n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human activated-MMP9 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as fluorogenic substrate incubated for 4 hrs follow...


J Med Chem 58: 7224-40 (2015)


BindingDB Entry DOI: 10.7270/Q2DV1MPR
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50119282
PNG
(CHEMBL3617404)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N(OC(C)C)[C@H](CCNC(C)=O)C(=O)NO |r|
Show InChI InChI=1/C22H29N3O7S/c1-15(2)32-25(21(22(27)24-28)13-14-23-16(3)26)33(29,30)20-11-7-18(8-12-20)17-5-9-19(31-4)10-6-17/h5-12,15,21,28H,13-14H2,1-4H3,(H,23,26)(H,24,27)/t21-/s2
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n/an/a 20n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human activated-MMP3 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as fluorogenic substrate incubated for 4 hrs follow...


J Med Chem 58: 7224-40 (2015)


BindingDB Entry DOI: 10.7270/Q2DV1MPR
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50119282
PNG
(CHEMBL3617404)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N(OC(C)C)[C@H](CCNC(C)=O)C(=O)NO |r|
Show InChI InChI=1/C22H29N3O7S/c1-15(2)32-25(21(22(27)24-28)13-14-23-16(3)26)33(29,30)20-11-7-18(8-12-20)17-5-9-19(31-4)10-6-17/h5-12,15,21,28H,13-14H2,1-4H3,(H,23,26)(H,24,27)/t21-/s2
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n/an/a 23n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human catalytic domain MMP14 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as fluorogenic substrate incubated for 4 hr...


J Med Chem 58: 7224-40 (2015)


BindingDB Entry DOI: 10.7270/Q2DV1MPR
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50119281
PNG
(CHEMBL3617405)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N(OC(C)C)[C@H](CCNC(=O)Cc1ccccc1)C(=O)NO |r|
Show InChI InChI=1/C28H33N3O7S/c1-20(2)38-31(26(28(33)30-34)17-18-29-27(32)19-21-7-5-4-6-8-21)39(35,36)25-15-11-23(12-16-25)22-9-13-24(37-3)14-10-22/h4-16,20,26,34H,17-19H2,1-3H3,(H,29,32)(H,30,33)/t26-/s2
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n/an/a 25n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human catalytic domain MMP14 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as fluorogenic substrate incubated for 4 hr...


J Med Chem 58: 7224-40 (2015)


BindingDB Entry DOI: 10.7270/Q2DV1MPR
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50119281
PNG
(CHEMBL3617405)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N(OC(C)C)[C@H](CCNC(=O)Cc1ccccc1)C(=O)NO |r|
Show InChI InChI=1/C28H33N3O7S/c1-20(2)38-31(26(28(33)30-34)17-18-29-27(32)19-21-7-5-4-6-8-21)39(35,36)25-15-11-23(12-16-25)22-9-13-24(37-3)14-10-22/h4-16,20,26,34H,17-19H2,1-3H3,(H,29,32)(H,30,33)/t26-/s2
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n/an/a 36n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human activated-MMP3 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as fluorogenic substrate incubated for 4 hrs follow...


J Med Chem 58: 7224-40 (2015)


BindingDB Entry DOI: 10.7270/Q2DV1MPR
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50119285
PNG
(CHEMBL3617402)
Show SMILES CC(C)ON([C@H](CCNC(C)=O)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1/C21H27N3O6S/c1-15(2)30-24(20(21(26)23-27)13-14-22-16(3)25)31(28,29)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-12,15,20,27H,13-14H2,1-3H3,(H,22,25)(H,23,26)/t20-/s2
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n/an/a 41n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human catalytic domain MMP14 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as fluorogenic substrate incubated for 4 hr...


J Med Chem 58: 7224-40 (2015)


BindingDB Entry DOI: 10.7270/Q2DV1MPR
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50119285
PNG
(CHEMBL3617402)
Show SMILES CC(C)ON([C@H](CCNC(C)=O)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1/C21H27N3O6S/c1-15(2)30-24(20(21(26)23-27)13-14-22-16(3)25)31(28,29)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-12,15,20,27H,13-14H2,1-3H3,(H,22,25)(H,23,26)/t20-/s2
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n/an/a 47n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human activated-MMP3 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as fluorogenic substrate incubated for 4 hrs follow...


J Med Chem 58: 7224-40 (2015)


BindingDB Entry DOI: 10.7270/Q2DV1MPR
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50119276
PNG
(CHEMBL3617401)
Show SMILES CC(C)ON([C@H](CCNS(C)(=O)=O)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1/C20H27N3O7S2/c1-15(2)30-23(19(20(24)22-25)13-14-21-31(3,26)27)32(28,29)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h4-12,15,19,21,25H,13-14H2,1-3H3,(H,22,24)/t19-/s2
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n/an/a 71n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human activated-MMP3 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as fluorogenic substrate incubated for 4 hrs follow...


J Med Chem 58: 7224-40 (2015)


BindingDB Entry DOI: 10.7270/Q2DV1MPR
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50119284
PNG
(CHEMBL3617403)
Show SMILES CC(C)ON([C@H](CCNC(=O)Cc1ccccc1)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1/C27H31N3O6S/c1-20(2)36-30(37(34,35)24-15-13-23(14-16-24)22-11-7-4-8-12-22)25(27(32)29-33)17-18-28-26(31)19-21-9-5-3-6-10-21/h3-16,20,25,33H,17-19H2,1-2H3,(H,28,31)(H,29,32)/t25-/s2
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n/an/a 81n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human catalytic domain MMP14 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as fluorogenic substrate incubated for 4 hr...


J Med Chem 58: 7224-40 (2015)


BindingDB Entry DOI: 10.7270/Q2DV1MPR
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50119277
PNG
(CHEMBL3617400)
Show SMILES CC(C)ON([C@H](CCNC(=O)c1ccccc1)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1/C26H29N3O6S/c1-19(2)35-29(24(26(31)28-32)17-18-27-25(30)22-11-7-4-8-12-22)36(33,34)23-15-13-21(14-16-23)20-9-5-3-6-10-20/h3-16,19,24,32H,17-18H2,1-2H3,(H,27,30)(H,28,31)/t24-/s2
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n/an/a 94n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human catalytic domain MMP14 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as fluorogenic substrate incubated for 4 hr...


J Med Chem 58: 7224-40 (2015)


BindingDB Entry DOI: 10.7270/Q2DV1MPR
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50119276
PNG
(CHEMBL3617401)
Show SMILES CC(C)ON([C@H](CCNS(C)(=O)=O)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1/C20H27N3O7S2/c1-15(2)30-23(19(20(24)22-25)13-14-21-31(3,26)27)32(28,29)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h4-12,15,19,21,25H,13-14H2,1-3H3,(H,22,24)/t19-/s2
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n/an/a 95n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human catalytic domain MMP14 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as fluorogenic substrate incubated for 4 hr...


J Med Chem 58: 7224-40 (2015)


BindingDB Entry DOI: 10.7270/Q2DV1MPR
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50119278
PNG
(CHEMBL3617407)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N(OC(C)C)[C@H](CCN1C(=O)c2ccccc2C1=O)C(=O)NO |r|
Show InChI InChI=1/C28H29N3O8S/c1-18(2)39-31(40(36,37)22-14-10-20(11-15-22)19-8-12-21(38-3)13-9-19)25(26(32)29-35)16-17-30-27(33)23-6-4-5-7-24(23)28(30)34/h4-15,18,25,35H,16-17H2,1-3H3,(H,29,32)/t25-/s2
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n/an/a 105n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human activated-MMP3 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as fluorogenic substrate incubated for 4 hrs follow...


J Med Chem 58: 7224-40 (2015)


BindingDB Entry DOI: 10.7270/Q2DV1MPR
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50119284
PNG
(CHEMBL3617403)
Show SMILES CC(C)ON([C@H](CCNC(=O)Cc1ccccc1)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1/C27H31N3O6S/c1-20(2)36-30(37(34,35)24-15-13-23(14-16-24)22-11-7-4-8-12-22)25(27(32)29-33)17-18-28-26(31)19-21-9-5-3-6-10-21/h3-16,20,25,33H,17-19H2,1-2H3,(H,28,31)(H,29,32)/t25-/s2
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n/an/a 120n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human activated-MMP3 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as fluorogenic substrate incubated for 4 hrs follow...


J Med Chem 58: 7224-40 (2015)


BindingDB Entry DOI: 10.7270/Q2DV1MPR
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50119278
PNG
(CHEMBL3617407)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N(OC(C)C)[C@H](CCN1C(=O)c2ccccc2C1=O)C(=O)NO |r|
Show InChI InChI=1/C28H29N3O8S/c1-18(2)39-31(40(36,37)22-14-10-20(11-15-22)19-8-12-21(38-3)13-9-19)25(26(32)29-35)16-17-30-27(33)23-6-4-5-7-24(23)28(30)34/h4-15,18,25,35H,16-17H2,1-3H3,(H,29,32)/t25-/s2
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n/an/a 200n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human activated-MMP1 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as fluorogenic substrate incubated for 4 hrs follow...


J Med Chem 58: 7224-40 (2015)


BindingDB Entry DOI: 10.7270/Q2DV1MPR
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50119285
PNG
(CHEMBL3617402)
Show SMILES CC(C)ON([C@H](CCNC(C)=O)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1/C21H27N3O6S/c1-15(2)30-24(20(21(26)23-27)13-14-22-16(3)25)31(28,29)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-12,15,20,27H,13-14H2,1-3H3,(H,22,25)(H,23,26)/t20-/s2
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n/an/a 280n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human activated-MMP1 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as fluorogenic substrate incubated for 4 hrs follow...


J Med Chem 58: 7224-40 (2015)


BindingDB Entry DOI: 10.7270/Q2DV1MPR
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50119276
PNG
(CHEMBL3617401)
Show SMILES CC(C)ON([C@H](CCNS(C)(=O)=O)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1/C20H27N3O7S2/c1-15(2)30-23(19(20(24)22-25)13-14-21-31(3,26)27)32(28,29)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h4-12,15,19,21,25H,13-14H2,1-3H3,(H,22,24)/t19-/s2
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n/an/a 320n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human activated-MMP1 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as fluorogenic substrate incubated for 4 hrs follow...


J Med Chem 58: 7224-40 (2015)


BindingDB Entry DOI: 10.7270/Q2DV1MPR
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50119277
PNG
(CHEMBL3617400)
Show SMILES CC(C)ON([C@H](CCNC(=O)c1ccccc1)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1/C26H29N3O6S/c1-19(2)35-29(24(26(31)28-32)17-18-27-25(30)22-11-7-4-8-12-22)36(33,34)23-15-13-21(14-16-23)20-9-5-3-6-10-20/h3-16,19,24,32H,17-18H2,1-2H3,(H,27,30)(H,28,31)/t24-/s2
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n/an/a 450n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human activated-MMP3 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as fluorogenic substrate incubated for 4 hrs follow...


J Med Chem 58: 7224-40 (2015)


BindingDB Entry DOI: 10.7270/Q2DV1MPR
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50119280
PNG
(CHEMBL3617406)
Show SMILES CC(C)ON([C@H](CCNC(C)=O)C(=O)NO)S(=O)(=O)c1ccccc1 |r|
Show InChI InChI=1/C15H23N3O6S/c1-11(2)24-18(25(22,23)13-7-5-4-6-8-13)14(15(20)17-21)9-10-16-12(3)19/h4-8,11,14,21H,9-10H2,1-3H3,(H,16,19)(H,17,20)/t14-/s2
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n/an/a 590n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human activated-MMP2 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as fluorogenic substrate incubated for 4 hrs follow...


J Med Chem 58: 7224-40 (2015)


BindingDB Entry DOI: 10.7270/Q2DV1MPR
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50119282
PNG
(CHEMBL3617404)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N(OC(C)C)[C@H](CCNC(C)=O)C(=O)NO |r|
Show InChI InChI=1/C22H29N3O7S/c1-15(2)32-25(21(22(27)24-28)13-14-23-16(3)26)33(29,30)20-11-7-18(8-12-20)17-5-9-19(31-4)10-6-17/h5-12,15,21,28H,13-14H2,1-4H3,(H,23,26)(H,24,27)/t21-/s2
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n/an/a 660n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human activated-MMP1 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as fluorogenic substrate incubated for 4 hrs follow...


J Med Chem 58: 7224-40 (2015)


BindingDB Entry DOI: 10.7270/Q2DV1MPR
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50119277
PNG
(CHEMBL3617400)
Show SMILES CC(C)ON([C@H](CCNC(=O)c1ccccc1)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1/C26H29N3O6S/c1-19(2)35-29(24(26(31)28-32)17-18-27-25(30)22-11-7-4-8-12-22)36(33,34)23-15-13-21(14-16-23)20-9-5-3-6-10-20/h3-16,19,24,32H,17-18H2,1-2H3,(H,27,30)(H,28,31)/t24-/s2
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n/an/a 780n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human activated-MMP1 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as fluorogenic substrate incubated for 4 hrs follow...


J Med Chem 58: 7224-40 (2015)


BindingDB Entry DOI: 10.7270/Q2DV1MPR
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50119284
PNG
(CHEMBL3617403)
Show SMILES CC(C)ON([C@H](CCNC(=O)Cc1ccccc1)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1/C27H31N3O6S/c1-20(2)36-30(37(34,35)24-15-13-23(14-16-24)22-11-7-4-8-12-22)25(27(32)29-33)17-18-28-26(31)19-21-9-5-3-6-10-21/h3-16,20,25,33H,17-19H2,1-2H3,(H,28,31)(H,29,32)/t25-/s2
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n/an/a 1.30E+3n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human activated-MMP1 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as fluorogenic substrate incubated for 4 hrs follow...


J Med Chem 58: 7224-40 (2015)


BindingDB Entry DOI: 10.7270/Q2DV1MPR
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50119281
PNG
(CHEMBL3617405)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N(OC(C)C)[C@H](CCNC(=O)Cc1ccccc1)C(=O)NO |r|
Show InChI InChI=1/C28H33N3O7S/c1-20(2)38-31(26(28(33)30-34)17-18-29-27(32)19-21-7-5-4-6-8-21)39(35,36)25-15-11-23(12-16-25)22-9-13-24(37-3)14-10-22/h4-16,20,26,34H,17-19H2,1-3H3,(H,29,32)(H,30,33)/t26-/s2
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n/an/a 1.40E+3n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human activated-MMP1 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as fluorogenic substrate incubated for 4 hrs follow...


J Med Chem 58: 7224-40 (2015)


BindingDB Entry DOI: 10.7270/Q2DV1MPR
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50119280
PNG
(CHEMBL3617406)
Show SMILES CC(C)ON([C@H](CCNC(C)=O)C(=O)NO)S(=O)(=O)c1ccccc1 |r|
Show InChI InChI=1/C15H23N3O6S/c1-11(2)24-18(25(22,23)13-7-5-4-6-8-13)14(15(20)17-21)9-10-16-12(3)19/h4-8,11,14,21H,9-10H2,1-3H3,(H,16,19)(H,17,20)/t14-/s2
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n/an/a 1.80E+3n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human activated-MMP13 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as fluorogenic substrate incubated for 4 hrs follo...


J Med Chem 58: 7224-40 (2015)


BindingDB Entry DOI: 10.7270/Q2DV1MPR
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50119280
PNG
(CHEMBL3617406)
Show SMILES CC(C)ON([C@H](CCNC(C)=O)C(=O)NO)S(=O)(=O)c1ccccc1 |r|
Show InChI InChI=1/C15H23N3O6S/c1-11(2)24-18(25(22,23)13-7-5-4-6-8-13)14(15(20)17-21)9-10-16-12(3)19/h4-8,11,14,21H,9-10H2,1-3H3,(H,16,19)(H,17,20)/t14-/s2
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n/an/a 3.90E+3n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human activated-MMP9 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as fluorogenic substrate incubated for 4 hrs follow...


J Med Chem 58: 7224-40 (2015)


BindingDB Entry DOI: 10.7270/Q2DV1MPR
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50119280
PNG
(CHEMBL3617406)
Show SMILES CC(C)ON([C@H](CCNC(C)=O)C(=O)NO)S(=O)(=O)c1ccccc1 |r|
Show InChI InChI=1/C15H23N3O6S/c1-11(2)24-18(25(22,23)13-7-5-4-6-8-13)14(15(20)17-21)9-10-16-12(3)19/h4-8,11,14,21H,9-10H2,1-3H3,(H,16,19)(H,17,20)/t14-/s2
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n/an/a 5.50E+3n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human catalytic domain MMP14 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as fluorogenic substrate incubated for 4 hr...


J Med Chem 58: 7224-40 (2015)


BindingDB Entry DOI: 10.7270/Q2DV1MPR
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50119280
PNG
(CHEMBL3617406)
Show SMILES CC(C)ON([C@H](CCNC(C)=O)C(=O)NO)S(=O)(=O)c1ccccc1 |r|
Show InChI InChI=1/C15H23N3O6S/c1-11(2)24-18(25(22,23)13-7-5-4-6-8-13)14(15(20)17-21)9-10-16-12(3)19/h4-8,11,14,21H,9-10H2,1-3H3,(H,16,19)(H,17,20)/t14-/s2
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n/an/a 2.60E+4n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human activated-MMP1 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as fluorogenic substrate incubated for 4 hrs follow...


J Med Chem 58: 7224-40 (2015)


BindingDB Entry DOI: 10.7270/Q2DV1MPR
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%