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Compile Data Set for Download or QSAR

Found 424 hits with Last Name = 'camodeca' and Initial = 'c'   
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=1S/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-/m1/s1
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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)


Article DOI: 10.1021/acs.jmedchem.5b00367
BindingDB Entry DOI: 10.7270/Q2DV1MPR
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50212249
PNG
(CHEMBL3900422)
Show SMILES CC(C)[C@@H](N(CCNC(=O)c1ccccc1)S(=O)(=O)c1ccc(cc1)-c1ccccc1)C(=O)NO |r|
Show InChI InChI=1S/C26H29N3O5S/c1-19(2)24(26(31)28-32)29(18-17-27-25(30)22-11-7-4-8-12-22)35(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-/m1/s1
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n/an/a 0.160n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of p-aminophenylmercuric acetate activated recombinant human MMP-2 expressed in CHO cells pretreated for 4 hrs followed by Mca-Lys-Pro-Leu...


ACS Med Chem Lett 8: 293-298 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00446
BindingDB Entry DOI: 10.7270/Q2G44SF6
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=1S/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-/m1/s1
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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)


Article DOI: 10.1021/acs.jmedchem.5b00367
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=1S/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-/m1/s1
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n/an/a 0.25n/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)


Article DOI: 10.1021/acs.jmedchem.5b00367
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=1S/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-/m1/s1
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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)


Article DOI: 10.1021/acs.jmedchem.5b00367
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=1S/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-/m1/s1
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n/an/a 0.370n/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)


Article DOI: 10.1021/acs.jmedchem.5b00367
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=1S/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-/m1/s1
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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 proMMP9 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 3 hrs followed by substrate ...


Bioorg Med Chem 27: 196-207 (2019)


Article DOI: 10.1016/j.bmc.2018.11.041
BindingDB Entry DOI: 10.7270/Q2CC142R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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=1S/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-/m1/s1
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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)


Article DOI: 10.1021/acs.jmedchem.5b00367
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=1S/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-/m1/s1
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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)


Article DOI: 10.1021/acs.jmedchem.5b00367
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=1S/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-/m1/s1
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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)


Article DOI: 10.1021/acs.jmedchem.5b00367
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=1S/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-/m1/s1
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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 proMMP2 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 3 hrs followed by substrate ...


Bioorg Med Chem 27: 196-207 (2019)


Article DOI: 10.1016/j.bmc.2018.11.041
BindingDB Entry DOI: 10.7270/Q2CC142R
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=1S/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-/m1/s1
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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)


Article DOI: 10.1021/acs.jmedchem.5b00367
BindingDB Entry DOI: 10.7270/Q2DV1MPR
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50314225
PNG
((R)-4-acetamido-2-(biphenyl-4-ylsulfonamido)-N-hyd...)
Show SMILES CC(=O)NCC[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccccc1)C(=O)NO |r|
Show InChI InChI=1S/C18H21N3O5S/c1-13(22)19-12-11-17(18(23)20-24)21-27(25,26)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10,17,21,24H,11-12H2,1H3,(H,19,22)(H,20,23)/t17-/m1/s1
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n/an/a 0.700n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human proMMP2 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 3 hrs followed by substrate ...


Bioorg Med Chem 27: 196-207 (2019)


Article DOI: 10.1016/j.bmc.2018.11.041
BindingDB Entry DOI: 10.7270/Q2CC142R
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50161330
PNG
((R)-2-[(Biphenyl-4-sulfonyl)-isopropoxy-amino]-N-h...)
Show SMILES CC(C)ON([C@H](C(C)C)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H26N2O5S/c1-14(2)19(20(23)21-24)22(27-15(3)4)28(25,26)18-12-10-17(11-13-18)16-8-6-5-7-9-16/h5-15,19,24H,1-4H3,(H,21,23)/t19-/m1/s1
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n/an/a 0.800n/an/an/an/an/an/a



UiT The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP2 after 2 hrs using FS-6 as substrate by fluorometry


Eur J Med Chem 108: 141-53 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.019
BindingDB Entry DOI: 10.7270/Q2HT2R63
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=1S/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-/m1/s1
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n/an/a 1n/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)


Article DOI: 10.1021/acs.jmedchem.5b00367
BindingDB Entry DOI: 10.7270/Q2DV1MPR
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50518292
PNG
(CHEMBL4442617)
Show SMILES ONC(=O)[C@@H](CCNC(=O)c1cccc(c1)C(=O)NCC[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccccc1)C(=O)NO)NS(=O)(=O)c1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C40H40N6O10S2/c47-37(41-24-22-35(39(49)43-51)45-57(53,54)33-18-14-29(15-19-33)27-8-3-1-4-9-27)31-12-7-13-32(26-31)38(48)42-25-23-36(40(50)44-52)46-58(55,56)34-20-16-30(17-21-34)28-10-5-2-6-11-28/h1-21,26,35-36,45-46,51-52H,22-25H2,(H,41,47)(H,42,48)(H,43,49)(H,44,50)/t35-,36-/m1/s1
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n/an/a 1.20n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human proMMP2 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 3 hrs followed by substrate ...


Bioorg Med Chem 27: 196-207 (2019)


Article DOI: 10.1016/j.bmc.2018.11.041
BindingDB Entry DOI: 10.7270/Q2CC142R
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50518292
PNG
(CHEMBL4442617)
Show SMILES ONC(=O)[C@@H](CCNC(=O)c1cccc(c1)C(=O)NCC[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccccc1)C(=O)NO)NS(=O)(=O)c1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C40H40N6O10S2/c47-37(41-24-22-35(39(49)43-51)45-57(53,54)33-18-14-29(15-19-33)27-8-3-1-4-9-27)31-12-7-13-32(26-31)38(48)42-25-23-36(40(50)44-52)46-58(55,56)34-20-16-30(17-21-34)28-10-5-2-6-11-28/h1-21,26,35-36,45-46,51-52H,22-25H2,(H,41,47)(H,42,48)(H,43,49)(H,44,50)/t35-,36-/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human proMMP9 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 3 hrs followed by substrate ...


Bioorg Med Chem 27: 196-207 (2019)


Article DOI: 10.1016/j.bmc.2018.11.041
BindingDB Entry DOI: 10.7270/Q2CC142R
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=1S/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-/m1/s1
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n/an/a 1.40n/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)


Article DOI: 10.1021/acs.jmedchem.5b00367
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=1S/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-/m1/s1
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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)


Article DOI: 10.1021/acs.jmedchem.5b00367
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=1S/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-/m1/s1
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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)


Article DOI: 10.1021/acs.jmedchem.5b00367
BindingDB Entry DOI: 10.7270/Q2DV1MPR
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50518290
PNG
(CHEMBL4466038)
Show SMILES ONC(=O)[C@@H](CCNC(=O)CCCNC(=O)c1cccc(c1)C(=O)NCCCC(=O)NCC[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccccc1)C(=O)NO)NS(=O)(=O)c1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C48H54N8O12S2/c57-43(49-30-26-41(47(61)53-63)55-69(65,66)39-22-18-35(19-23-39)33-10-3-1-4-11-33)16-8-28-51-45(59)37-14-7-15-38(32-37)46(60)52-29-9-17-44(58)50-31-27-42(48(62)54-64)56-70(67,68)40-24-20-36(21-25-40)34-12-5-2-6-13-34/h1-7,10-15,18-25,32,41-42,55-56,63-64H,8-9,16-17,26-31H2,(H,49,57)(H,50,58)(H,51,59)(H,52,60)(H,53,61)(H,54,62)/t41-,42-/m1/s1
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Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human proMMP2 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 3 hrs followed by substrate ...


Bioorg Med Chem 27: 196-207 (2019)


Article DOI: 10.1016/j.bmc.2018.11.041
BindingDB Entry DOI: 10.7270/Q2CC142R
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50441212
PNG
(CHEMBL2431028)
Show SMILES NC(=O)NCCC[C@@H](NS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1)C(=O)NO |r|
Show InChI InChI=1S/C19H22Br2N4O6S/c20-13-8-12(9-14(21)10-13)11-31-15-3-5-16(6-4-15)32(29,30)25-17(18(26)24-28)2-1-7-23-19(22)27/h3-6,8-10,17,25,28H,1-2,7,11H2,(H,24,26)(H3,22,23,27)/t17-/m1/s1
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n/an/a 1.90n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ADAM-17 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate incubated for 30 mins measured every 15 secs ...


J Med Chem 56: 8089-103 (2013)


Article DOI: 10.1021/jm4011753
BindingDB Entry DOI: 10.7270/Q2DR2WZ0
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50441212
PNG
(CHEMBL2431028)
Show SMILES NC(=O)NCCC[C@@H](NS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1)C(=O)NO |r|
Show InChI InChI=1S/C19H22Br2N4O6S/c20-13-8-12(9-14(21)10-13)11-31-15-3-5-16(6-4-15)32(29,30)25-17(18(26)24-28)2-1-7-23-19(22)27/h3-6,8-10,17,25,28H,1-2,7,11H2,(H,24,26)(H3,22,23,27)/t17-/m1/s1
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n/an/a 1.90n/an/an/an/an/an/a


TBA



Citation and Details
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=1S/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-/m1/s1
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n/an/a 2n/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)


Article DOI: 10.1021/acs.jmedchem.5b00367
BindingDB Entry DOI: 10.7270/Q2DV1MPR
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50518291
PNG
(CHEMBL4584813)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N(CCNC(=O)CCCNC(=O)c1cccc(c1)C(=O)NCCCC(=O)NCCN([C@H](CCN1C(=O)c2ccccc2C1=O)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccc(OC)cc1)[C@H](CCN1C(=O)c2ccccc2C1=O)C(=O)NO |r|
Show InChI InChI=1S/C70H72N10O18S2/c1-97-51-26-18-45(19-27-51)47-22-30-53(31-23-47)99(93,94)79(59(65(85)75-91)34-40-77-67(87)55-12-3-4-13-56(55)68(77)88)42-38-71-61(81)16-8-36-73-63(83)49-10-7-11-50(44-49)64(84)74-37-9-17-62(82)72-39-43-80(100(95,96)54-32-24-48(25-33-54)46-20-28-52(98-2)29-21-46)60(66(86)76-92)35-41-78-69(89)57-14-5-6-15-58(57)70(78)90/h3-7,10-15,18-33,44,59-60,91-92H,8-9,16-17,34-43H2,1-2H3,(H,71,81)(H,72,82)(H,73,83)(H,74,84)(H,75,85)(H,76,86)/t59-,60-/m1/s1
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Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human proMMP9 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 3 hrs followed by substrate ...


Bioorg Med Chem 27: 196-207 (2019)


Article DOI: 10.1016/j.bmc.2018.11.041
BindingDB Entry DOI: 10.7270/Q2CC142R
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50151245
PNG
(CHEMBL1229516)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CCCc1ccccc1)[C@H](C)N(O)C=O)C(C)(C)C |r|
Show InChI InChI=1S/C21H33N3O4/c1-15(24(28)14-25)17(13-9-12-16-10-7-6-8-11-16)19(26)23-18(20(27)22-5)21(2,3)4/h6-8,10-11,14-15,17-18,28H,9,12-13H2,1-5H3,(H,22,27)(H,23,26)/t15-,17+,18+/m0/s1
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n/an/a 2.10n/an/an/an/an/an/a



San Raffaele Scientific Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP-2 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate after 3 hrs by fluorometric assay


Eur J Med Chem 111: 193-201 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.053
BindingDB Entry DOI: 10.7270/Q2765H73
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=1S/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-/m1/s1
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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)


Article DOI: 10.1021/acs.jmedchem.5b00367
BindingDB Entry DOI: 10.7270/Q2DV1MPR
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50212249
PNG
(CHEMBL3900422)
Show SMILES CC(C)[C@@H](N(CCNC(=O)c1ccccc1)S(=O)(=O)c1ccc(cc1)-c1ccccc1)C(=O)NO |r|
Show InChI InChI=1S/C26H29N3O5S/c1-19(2)24(26(31)28-32)29(18-17-27-25(30)22-11-7-4-8-12-22)35(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-/m1/s1
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n/an/a 2.5n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of p-aminophenylmercuric acetate activated recombinant human MMP-9 expressed in CHO cells pretreated for 4 hrs followed by Mca-Lys-Pro-Leu...


ACS Med Chem Lett 8: 293-298 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00446
BindingDB Entry DOI: 10.7270/Q2G44SF6
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=1S/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-/m1/s1
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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)


Article DOI: 10.1021/acs.jmedchem.5b00367
BindingDB Entry DOI: 10.7270/Q2DV1MPR
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50138800
PNG
(CHEMBL3754094)
Show SMILES CC(C)CN([C@H](C(C)C)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C21H28N2O4S/c1-15(2)14-23(20(16(3)4)21(24)22-25)28(26,27)19-12-10-18(11-13-19)17-8-6-5-7-9-17/h5-13,15-16,20,25H,14H2,1-4H3,(H,22,24)/t20-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



UiT The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP2 after 2 hrs using FS-6 as substrate by fluorometry


Eur J Med Chem 108: 141-53 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.019
BindingDB Entry DOI: 10.7270/Q2HT2R63
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14


(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=1S/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-/m1/s1
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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 MT1-MMP catalytic domain using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 3 hrs follo...


Bioorg Med Chem 27: 196-207 (2019)


Article DOI: 10.1016/j.bmc.2018.11.041
BindingDB Entry DOI: 10.7270/Q2CC142R
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14


(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=1S/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-/m1/s1
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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)


Article DOI: 10.1021/acs.jmedchem.5b00367
BindingDB Entry DOI: 10.7270/Q2DV1MPR
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50455767
PNG
(CHEMBL4210206)
Show SMILES COc1ccc(cc1)-c1ccc(Sc2ccccc2CC(=O)NO)cc1
Show InChI InChI=1S/C21H19NO3S/c1-25-18-10-6-15(7-11-18)16-8-12-19(13-9-16)26-20-5-3-2-4-17(20)14-21(23)22-24/h2-13,24H,14H2,1H3,(H,22,23)
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n/an/a 4n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP-12 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 3 hrs followed by substrate a...


J Med Chem 61: 4421-4435 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00096
BindingDB Entry DOI: 10.7270/Q26H4M12
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50518291
PNG
(CHEMBL4584813)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N(CCNC(=O)CCCNC(=O)c1cccc(c1)C(=O)NCCCC(=O)NCCN([C@H](CCN1C(=O)c2ccccc2C1=O)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccc(OC)cc1)[C@H](CCN1C(=O)c2ccccc2C1=O)C(=O)NO |r|
Show InChI InChI=1S/C70H72N10O18S2/c1-97-51-26-18-45(19-27-51)47-22-30-53(31-23-47)99(93,94)79(59(65(85)75-91)34-40-77-67(87)55-12-3-4-13-56(55)68(77)88)42-38-71-61(81)16-8-36-73-63(83)49-10-7-11-50(44-49)64(84)74-37-9-17-62(82)72-39-43-80(100(95,96)54-32-24-48(25-33-54)46-20-28-52(98-2)29-21-46)60(66(86)76-92)35-41-78-69(89)57-14-5-6-15-58(57)70(78)90/h3-7,10-15,18-33,44,59-60,91-92H,8-9,16-17,34-43H2,1-2H3,(H,71,81)(H,72,82)(H,73,83)(H,74,84)(H,75,85)(H,76,86)/t59-,60-/m1/s1
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n/an/a 4.10n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human proMMP2 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 3 hrs followed by substrate ...


Bioorg Med Chem 27: 196-207 (2019)


Article DOI: 10.1016/j.bmc.2018.11.041
BindingDB Entry DOI: 10.7270/Q2CC142R
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=1S/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-/m1/s1
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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)


Article DOI: 10.1021/acs.jmedchem.5b00367
BindingDB Entry DOI: 10.7270/Q2DV1MPR
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50299052
PNG
(CHEMBL584365 | N-Hydroxy-2-[2-(4'-methoxy-biphenyl...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)c1ccccc1CC(=O)NO
Show InChI InChI=1S/C21H19NO5S/c1-27-18-10-6-15(7-11-18)16-8-12-19(13-9-16)28(25,26)20-5-3-2-4-17(20)14-21(23)22-24/h2-13,24H,14H2,1H3,(H,22,23)
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n/an/a 4.80n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP-12 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 3 hrs followed by substrate a...


J Med Chem 61: 4421-4435 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00096
BindingDB Entry DOI: 10.7270/Q26H4M12
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM8465
PNG
((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO |r|
Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1
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n/an/a 4.80n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human proMMP9 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 3 hrs followed by substrate ...


Bioorg Med Chem 27: 196-207 (2019)


Article DOI: 10.1016/j.bmc.2018.11.041
BindingDB Entry DOI: 10.7270/Q2CC142R
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50151245
PNG
(CHEMBL1229516)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CCCc1ccccc1)[C@H](C)N(O)C=O)C(C)(C)C |r|
Show InChI InChI=1S/C21H33N3O4/c1-15(24(28)14-25)17(13-9-12-16-10-7-6-8-11-16)19(26)23-18(20(27)22-5)21(2,3)4/h6-8,10-11,14-15,17-18,28H,9,12-13H2,1-5H3,(H,22,27)(H,23,26)/t15-,17+,18+/m0/s1
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n/an/a 5.10n/an/an/an/an/an/a



San Raffaele Scientific Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP-9 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate after 3 hrs by fluorometric assay


Eur J Med Chem 111: 193-201 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.053
BindingDB Entry DOI: 10.7270/Q2765H73
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50138800
PNG
(CHEMBL3754094)
Show SMILES CC(C)CN([C@H](C(C)C)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C21H28N2O4S/c1-15(2)14-23(20(16(3)4)21(24)22-25)28(26,27)19-12-10-18(11-13-19)17-8-6-5-7-9-17/h5-13,15-16,20,25H,14H2,1-4H3,(H,22,24)/t20-/m1/s1
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n/an/a 5.30n/an/an/an/an/an/a



UiT The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP9 after 2 hrs using FS-6 as substrate by fluorometry


Eur J Med Chem 108: 141-53 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.019
BindingDB Entry DOI: 10.7270/Q2HT2R63
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50212253
PNG
(CHEMBL3891386)
Show SMILES CC(C)[C@@H](N(CCNC(=O)c1cccc(c1)C(=O)NCCN([C@H](C(C)C)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccccc1)S(=O)(=O)c1ccc(cc1)-c1ccccc1)C(=O)NO |r|
Show InChI InChI=1S/C46H52N6O10S2/c1-31(2)41(45(55)49-57)51(63(59,60)39-22-18-35(19-23-39)33-12-7-5-8-13-33)28-26-47-43(53)37-16-11-17-38(30-37)44(54)48-27-29-52(42(32(3)4)46(56)50-58)64(61,62)40-24-20-36(21-25-40)34-14-9-6-10-15-34/h5-25,30-32,41-42,57-58H,26-29H2,1-4H3,(H,47,53)(H,48,54)(H,49,55)(H,50,56)/t41-,42-/m1/s1
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n/an/a 5.5n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of p-aminophenylmercuric acetate activated recombinant human MMP-9 expressed in CHO cells pretreated for 4 hrs followed by Mca-Lys-Pro-Leu...


ACS Med Chem Lett 8: 293-298 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00446
BindingDB Entry DOI: 10.7270/Q2G44SF6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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=1S/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-/m1/s1
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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)


Article DOI: 10.1021/acs.jmedchem.5b00367
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=1S/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-/m1/s1
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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)


Article DOI: 10.1021/acs.jmedchem.5b00367
BindingDB Entry DOI: 10.7270/Q2DV1MPR
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50161330
PNG
((R)-2-[(Biphenyl-4-sulfonyl)-isopropoxy-amino]-N-h...)
Show SMILES CC(C)ON([C@H](C(C)C)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H26N2O5S/c1-14(2)19(20(23)21-24)22(27-15(3)4)28(25,26)18-12-10-17(11-13-18)16-8-6-5-7-9-16/h5-15,19,24H,1-4H3,(H,21,23)/t19-/m1/s1
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n/an/a 6.70n/an/an/an/an/an/a



UiT The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP9 after 2 hrs using FS-6 as substrate by fluorometry


Eur J Med Chem 108: 141-53 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.019
BindingDB Entry DOI: 10.7270/Q2HT2R63
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50455767
PNG
(CHEMBL4210206)
Show SMILES COc1ccc(cc1)-c1ccc(Sc2ccccc2CC(=O)NO)cc1
Show InChI InChI=1S/C21H19NO3S/c1-25-18-10-6-15(7-11-18)16-8-12-19(13-9-16)26-20-5-3-2-4-17(20)14-21(23)22-24/h2-13,24H,14H2,1H3,(H,22,23)
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n/an/a 6.80n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP-2 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 3 hrs followed by substrate ad...


J Med Chem 61: 4421-4435 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00096
BindingDB Entry DOI: 10.7270/Q26H4M12
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14


(Homo sapiens (Human))
BDBM50518291
PNG
(CHEMBL4584813)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N(CCNC(=O)CCCNC(=O)c1cccc(c1)C(=O)NCCCC(=O)NCCN([C@H](CCN1C(=O)c2ccccc2C1=O)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccc(OC)cc1)[C@H](CCN1C(=O)c2ccccc2C1=O)C(=O)NO |r|
Show InChI InChI=1S/C70H72N10O18S2/c1-97-51-26-18-45(19-27-51)47-22-30-53(31-23-47)99(93,94)79(59(65(85)75-91)34-40-77-67(87)55-12-3-4-13-56(55)68(77)88)42-38-71-61(81)16-8-36-73-63(83)49-10-7-11-50(44-49)64(84)74-37-9-17-62(82)72-39-43-80(100(95,96)54-32-24-48(25-33-54)46-20-28-52(98-2)29-21-46)60(66(86)76-92)35-41-78-69(89)57-14-5-6-15-58(57)70(78)90/h3-7,10-15,18-33,44,59-60,91-92H,8-9,16-17,34-43H2,1-2H3,(H,71,81)(H,72,82)(H,73,83)(H,74,84)(H,75,85)(H,76,86)/t59-,60-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MT1-MMP catalytic domain using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 3 hrs follo...


Bioorg Med Chem 27: 196-207 (2019)


Article DOI: 10.1016/j.bmc.2018.11.041
BindingDB Entry DOI: 10.7270/Q2CC142R
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50314228
PNG
((R)-N-hydroxy-2-(N-isobutyl-4-methoxyphenylsulfona...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)[C@H](C(C)C)C(=O)NO |r|
Show InChI InChI=1S/C16H26N2O5S/c1-11(2)10-18(15(12(3)4)16(19)17-20)24(21,22)14-8-6-13(23-5)7-9-14/h6-9,11-12,15,20H,10H2,1-5H3,(H,17,19)/t15-/m1/s1
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n/an/a 7.20n/an/an/an/an/an/a



UiT The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP9 after 2 hrs using FS-6 as substrate by fluorometry


Eur J Med Chem 108: 141-53 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.019
BindingDB Entry DOI: 10.7270/Q2HT2R63
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50314225
PNG
((R)-4-acetamido-2-(biphenyl-4-ylsulfonamido)-N-hyd...)
Show SMILES CC(=O)NCC[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccccc1)C(=O)NO |r|
Show InChI InChI=1S/C18H21N3O5S/c1-13(22)19-12-11-17(18(23)20-24)21-27(25,26)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10,17,21,24H,11-12H2,1H3,(H,19,22)(H,20,23)/t17-/m1/s1
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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 proMMP9 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 3 hrs followed by substrate ...


Bioorg Med Chem 27: 196-207 (2019)


Article DOI: 10.1016/j.bmc.2018.11.041
BindingDB Entry DOI: 10.7270/Q2CC142R
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=1S/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-/m1/s1
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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)


Article DOI: 10.1021/acs.jmedchem.5b00367
BindingDB Entry DOI: 10.7270/Q2DV1MPR
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50518290
PNG
(CHEMBL4466038)
Show SMILES ONC(=O)[C@@H](CCNC(=O)CCCNC(=O)c1cccc(c1)C(=O)NCCCC(=O)NCC[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccccc1)C(=O)NO)NS(=O)(=O)c1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C48H54N8O12S2/c57-43(49-30-26-41(47(61)53-63)55-69(65,66)39-22-18-35(19-23-39)33-10-3-1-4-11-33)16-8-28-51-45(59)37-14-7-15-38(32-37)46(60)52-29-9-17-44(58)50-31-27-42(48(62)54-64)56-70(67,68)40-24-20-36(21-25-40)34-12-5-2-6-13-34/h1-7,10-15,18-25,32,41-42,55-56,63-64H,8-9,16-17,26-31H2,(H,49,57)(H,50,58)(H,51,59)(H,52,60)(H,53,61)(H,54,62)/t41-,42-/m1/s1
PDB
MMDB

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n/an/a 8.70n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human proMMP9 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 3 hrs followed by substrate ...


Bioorg Med Chem 27: 196-207 (2019)


Article DOI: 10.1016/j.bmc.2018.11.041
BindingDB Entry DOI: 10.7270/Q2CC142R
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=1S/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-/m1/s1
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MMDB

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Similars

Article
PubMed
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)


Article DOI: 10.1021/acs.jmedchem.5b00367
BindingDB Entry DOI: 10.7270/Q2DV1MPR
More data for this
Ligand-Target Pair
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