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PubMed code 28653849

Compile data set for download or QSAR
Found 67 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
Collagenase 3


(Homo sapiens (Human))		BDBM50239956
PNG
(CHEMBL4061792)
Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1)C(O)=O |r|
Show InChI InChI=1S/C25H27N3O5S2/c1-15(2)22(24(30)31)28-35(32,33)19-12-10-18(11-13-19)17-8-6-16(7-9-17)14-34-25-26-21-5-3-4-20(21)23(29)27-25/h6-13,15,22,28H,3-5,14H2,1-2H3,(H,30,31)(H,26,27,29)/t22-/m1/s1
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PubMed
 1.60n/an/an/an/an/an/an/an/a



Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human MMP13 expressed in mouse NSO cells using varying levels of fTHP-15 as substrate preincubated for 30 mins ...

J Med Chem 60: 5816-5825 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00514
BindingDB Entry DOI: 10.7270/Q23F4RTD
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM50239954
PNG
(CHEMBL4080520)
Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)c(F)c1)C(C)C |r|
Show InChI InChI=1S/C25H27FN4O4S/c1-13(2)21(24(33)27-3)29-23(32)20-10-9-19(34-20)14-7-8-15(17(26)11-14)12-35-25-28-18-6-4-5-16(18)22(31)30-25/h7-11,13,21H,4-6,12H2,1-3H3,(H,27,33)(H,29,32)(H,28,30,31)/t21-/m0/s1
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PubMed
 1.70n/an/an/an/an/an/an/an/a



Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human MMP13 expressed in mouse NSO cells using varying levels of fTHP-15 as substrate preincubated for 30 mins ...

J Med Chem 60: 5816-5825 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00514
BindingDB Entry DOI: 10.7270/Q23F4RTD
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM50239957
PNG
(CHEMBL4089861)
Show SMILES OC(=O)CNS(=O)(=O)c1ccc(cc1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1
Show InChI InChI=1S/C22H21N3O5S2/c26-20(27)12-23-32(29,30)17-10-8-16(9-11-17)15-6-4-14(5-7-15)13-31-22-24-19-3-1-2-18(19)21(28)25-22/h4-11,23H,1-3,12-13H2,(H,26,27)(H,24,25,28)
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 1.80n/an/an/an/an/an/an/an/a



Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human MMP13 expressed in mouse NSO cells using varying levels of fTHP-15 as substrate preincubated for 30 mins ...

J Med Chem 60: 5816-5825 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00514
BindingDB Entry DOI: 10.7270/Q23F4RTD
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM50239961
PNG
(CHEMBL4062836)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1)C(O)=O |r|
Show InChI InChI=1S/C25H27N3O5S2/c1-15(2)22(24(30)31)28-35(32,33)19-12-10-18(11-13-19)17-8-6-16(7-9-17)14-34-25-26-21-5-3-4-20(21)23(29)27-25/h6-13,15,22,28H,3-5,14H2,1-2H3,(H,30,31)(H,26,27,29)/t22-/m0/s1
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 2.30n/an/an/an/an/an/an/an/a



Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human MMP13 expressed in mouse NSO cells using varying levels of fTHP-15 as substrate preincubated for 30 mins ...

J Med Chem 60: 5816-5825 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00514
BindingDB Entry DOI: 10.7270/Q23F4RTD
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Collagenase 3


(Homo sapiens (Human))		BDBM50239951
PNG
(CHEMBL4100008)
Show SMILES OCCNS(=O)(=O)c1ccc(cc1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1
Show InChI InChI=1S/C22H23N3O4S2/c26-13-12-23-31(28,29)18-10-8-17(9-11-18)16-6-4-15(5-7-16)14-30-22-24-20-3-1-2-19(20)21(27)25-22/h4-11,23,26H,1-3,12-14H2,(H,24,25,27)
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PubMed
 9.20n/an/an/an/an/an/an/an/a



Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human MMP13 expressed in mouse NSO cells using varying levels of fTHP-15 as substrate preincubated for 30 mins ...

J Med Chem 60: 5816-5825 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00514
BindingDB Entry DOI: 10.7270/Q23F4RTD
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM50239952
PNG
(CHEMBL4081997)
Show SMILES NCCNS(=O)(=O)c1ccc(cc1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1
Show InChI InChI=1S/C22H24N4O3S2/c23-12-13-24-31(28,29)18-10-8-17(9-11-18)16-6-4-15(5-7-16)14-30-22-25-20-3-1-2-19(20)21(27)26-22/h4-11,24H,1-3,12-14,23H2,(H,25,26,27)
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 14n/an/an/an/an/an/an/an/a



Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human MMP13 expressed in mouse NSO cells using varying levels of fTHP-15 as substrate preincubated for 30 mins ...

J Med Chem 60: 5816-5825 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00514
BindingDB Entry DOI: 10.7270/Q23F4RTD
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Collagenase 3


(Homo sapiens (Human))		BDBM50361639
PNG
(CHEMBL1371684)
Show SMILES Cc1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1
Show InChI InChI=1S/C15H16N2OS/c1-10-5-7-11(8-6-10)9-19-15-16-13-4-2-3-12(13)14(18)17-15/h5-8H,2-4,9H2,1H3,(H,16,17,18)
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 800n/an/an/an/an/an/an/an/a



Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human MMP13 expressed in mouse NSO cells using varying levels of fTHP-15 as substrate preincubated for 30 mins ...

J Med Chem 60: 5816-5825 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00514
BindingDB Entry DOI: 10.7270/Q23F4RTD
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Collagenase 3


(Homo sapiens (Human))		BDBM50239957
PNG
(CHEMBL4089861)
Show SMILES OC(=O)CNS(=O)(=O)c1ccc(cc1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1
Show InChI InChI=1S/C22H21N3O5S2/c26-20(27)12-23-32(29,30)17-10-8-16(9-11-17)15-6-4-14(5-7-15)13-31-22-24-19-3-1-2-18(19)21(28)25-22/h4-11,23H,1-3,12-13H2,(H,26,27)(H,24,25,28)
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n/an/a 1.60n/an/an/an/an/an/a



Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human MMP13 expressed in mouse NSO cells using fTHP-15 as substrate preincubated for 30 mins followed by substr...

J Med Chem 60: 5816-5825 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00514
BindingDB Entry DOI: 10.7270/Q23F4RTD
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM50239961
PNG
(CHEMBL4062836)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1)C(O)=O |r|
Show InChI InChI=1S/C25H27N3O5S2/c1-15(2)22(24(30)31)28-35(32,33)19-12-10-18(11-13-19)17-8-6-16(7-9-17)14-34-25-26-21-5-3-4-20(21)23(29)27-25/h6-13,15,22,28H,3-5,14H2,1-2H3,(H,30,31)(H,26,27,29)/t22-/m0/s1
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n/an/a 2.20n/an/an/an/an/an/a



Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human MMP13 expressed in mouse NSO cells using fTHP-15 as substrate preincubated for 30 mins followed by substr...

J Med Chem 60: 5816-5825 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00514
BindingDB Entry DOI: 10.7270/Q23F4RTD
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Collagenase 3


(Homo sapiens (Human))		BDBM50239954
PNG
(CHEMBL4080520)
Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)c(F)c1)C(C)C |r|
Show InChI InChI=1S/C25H27FN4O4S/c1-13(2)21(24(33)27-3)29-23(32)20-10-9-19(34-20)14-7-8-15(17(26)11-14)12-35-25-28-18-6-4-5-16(18)22(31)30-25/h7-11,13,21H,4-6,12H2,1-3H3,(H,27,33)(H,29,32)(H,28,30,31)/t21-/m0/s1
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n/an/a 2.70n/an/an/an/an/an/a



Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human MMP13 expressed in mouse NSO cells using fTHP-15 as substrate preincubated for 30 mins followed by substr...

J Med Chem 60: 5816-5825 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00514
BindingDB Entry DOI: 10.7270/Q23F4RTD
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM50239952
PNG
(CHEMBL4081997)
Show SMILES NCCNS(=O)(=O)c1ccc(cc1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1
Show InChI InChI=1S/C22H24N4O3S2/c23-12-13-24-31(28,29)18-10-8-17(9-11-18)16-6-4-15(5-7-16)14-30-22-25-20-3-1-2-19(20)21(27)26-22/h4-11,24H,1-3,12-14,23H2,(H,25,26,27)
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n/an/a 3.40n/an/an/an/an/an/a



Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human MMP13 expressed in mouse NSO cells using fTHP-15 as substrate preincubated for 30 mins followed by substr...

J Med Chem 60: 5816-5825 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00514
BindingDB Entry DOI: 10.7270/Q23F4RTD
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Collagenase 3


(Homo sapiens (Human))		BDBM50239950
PNG
(CHEMBL4088383)
Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)c(F)c1)C1CCCCC1 |r|
Show InChI InChI=1S/C28H31FN4O4S/c1-30-27(36)24(16-6-3-2-4-7-16)32-26(35)23-13-12-22(37-23)17-10-11-18(20(29)14-17)15-38-28-31-21-9-5-8-19(21)25(34)33-28/h10-14,16,24H,2-9,15H2,1H3,(H,30,36)(H,32,35)(H,31,33,34)/t24-/m0/s1
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n/an/a 6.30n/an/an/an/an/an/a



Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human MMP13 expressed in mouse NSO cells using fTHP-15 as substrate preincubated for 30 mins followed by substr...

J Med Chem 60: 5816-5825 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00514
BindingDB Entry DOI: 10.7270/Q23F4RTD
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM50239956
PNG
(CHEMBL4061792)
Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1)C(O)=O |r|
Show InChI InChI=1S/C25H27N3O5S2/c1-15(2)22(24(30)31)28-35(32,33)19-12-10-18(11-13-19)17-8-6-16(7-9-17)14-34-25-26-21-5-3-4-20(21)23(29)27-25/h6-13,15,22,28H,3-5,14H2,1-2H3,(H,30,31)(H,26,27,29)/t22-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human MMP13 expressed in mouse NSO cells using fTHP-15 as substrate preincubated for 30 mins followed by substr...

J Med Chem 60: 5816-5825 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00514
BindingDB Entry DOI: 10.7270/Q23F4RTD
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM50239950
PNG
(CHEMBL4088383)
Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)c(F)c1)C1CCCCC1 |r|
Show InChI InChI=1S/C28H31FN4O4S/c1-30-27(36)24(16-6-3-2-4-7-16)32-26(35)23-13-12-22(37-23)17-10-11-18(20(29)14-17)15-38-28-31-21-9-5-8-19(21)25(34)33-28/h10-14,16,24H,2-9,15H2,1H3,(H,30,36)(H,32,35)(H,31,33,34)/t24-/m0/s1
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n/an/a 7.90n/an/an/an/an/an/a



Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States.

Curated by ChEMBL


Assay Description
Inhibition of MMP13 (unknown origin)-mediated type-2 collagen cleavage assessed as increase in intact collagen after 24 hrs by SDS-PAGE analysis

J Med Chem 60: 5816-5825 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00514
BindingDB Entry DOI: 10.7270/Q23F4RTD
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM50239954
PNG
(CHEMBL4080520)
Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)c(F)c1)C(C)C |r|
Show InChI InChI=1S/C25H27FN4O4S/c1-13(2)21(24(33)27-3)29-23(32)20-10-9-19(34-20)14-7-8-15(17(26)11-14)12-35-25-28-18-6-4-5-16(18)22(31)30-25/h7-11,13,21H,4-6,12H2,1-3H3,(H,27,33)(H,29,32)(H,28,30,31)/t21-/m0/s1
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n/an/a 8.10n/an/an/an/an/an/a



Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States.

Curated by ChEMBL


Assay Description
Inhibition of aminopeptidase M or membrane leucine aminopeptidase; Ki value reporting the slope effect(Kis)

J Med Chem 60: 5816-5825 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00514
BindingDB Entry DOI: 10.7270/Q23F4RTD
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM50239952
PNG
(CHEMBL4081997)
Show SMILES NCCNS(=O)(=O)c1ccc(cc1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1
Show InChI InChI=1S/C22H24N4O3S2/c23-12-13-24-31(28,29)18-10-8-17(9-11-18)16-6-4-15(5-7-16)14-30-22-25-20-3-1-2-19(20)21(27)26-22/h4-11,24H,1-3,12-14,23H2,(H,25,26,27)
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n/an/a 8.30n/an/an/an/an/an/a



Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States.

Curated by ChEMBL


Assay Description
Inhibition of leucine aminopeptidase; Ki value reporting the slope effect(Kis)

J Med Chem 60: 5816-5825 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00514
BindingDB Entry DOI: 10.7270/Q23F4RTD
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Collagenase 3


(Homo sapiens (Human))		BDBM50239959
PNG
(CHEMBL4069824)
Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1)C(C)C |r|
Show InChI InChI=1S/C25H28N4O4S/c1-14(2)21(24(32)26-3)28-23(31)20-12-11-19(33-20)16-9-7-15(8-10-16)13-34-25-27-18-6-4-5-17(18)22(30)29-25/h7-12,14,21H,4-6,13H2,1-3H3,(H,26,32)(H,28,31)(H,27,29,30)/t21-/m0/s1
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n/an/a 9.40n/an/an/an/an/an/a



Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human MMP13 expressed in mouse NSO cells using fTHP-15 as substrate preincubated for 30 mins followed by substr...

J Med Chem 60: 5816-5825 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00514
BindingDB Entry DOI: 10.7270/Q23F4RTD
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Collagenase 3


(Homo sapiens (Human))		BDBM50239951
PNG
(CHEMBL4100008)
Show SMILES OCCNS(=O)(=O)c1ccc(cc1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1
Show InChI InChI=1S/C22H23N3O4S2/c26-13-12-23-31(28,29)18-10-8-17(9-11-18)16-6-4-15(5-7-16)14-30-22-24-20-3-1-2-19(20)21(27)25-22/h4-11,23,26H,1-3,12-14H2,(H,24,25,27)
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n/an/a 12n/an/an/an/an/an/a



Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human MMP13 expressed in mouse NSO cells using fTHP-15 as substrate preincubated for 30 mins followed by substr...

J Med Chem 60: 5816-5825 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00514
BindingDB Entry DOI: 10.7270/Q23F4RTD
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM50239958
PNG
(CHEMBL4105299)
Show SMILES N[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(cc1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1 |r|
Show InChI InChI=1S/C26H30N4O3S2/c27-22-5-1-2-6-24(22)30-35(32,33)20-14-12-19(13-15-20)18-10-8-17(9-11-18)16-34-26-28-23-7-3-4-21(23)25(31)29-26/h8-15,22,24,30H,1-7,16,27H2,(H,28,29,31)/t22-,24-/m1/s1
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n/an/a 17n/an/an/an/an/an/a



Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human MMP13 expressed in mouse NSO cells using fTHP-15 as substrate preincubated for 30 mins followed by substr...

J Med Chem 60: 5816-5825 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00514
BindingDB Entry DOI: 10.7270/Q23F4RTD
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM50239953
PNG
(CHEMBL4081049)
Show SMILES N[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(cc1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1 |r|
Show InChI InChI=1S/C26H30N4O3S2/c27-22-5-1-2-6-24(22)30-35(32,33)20-14-12-19(13-15-20)18-10-8-17(9-11-18)16-34-26-28-23-7-3-4-21(23)25(31)29-26/h8-15,22,24,30H,1-7,16,27H2,(H,28,29,31)/t22-,24+/m0/s1
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n/an/a 18n/an/an/an/an/an/a



Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human MMP13 expressed in mouse NSO cells using fTHP-15 as substrate preincubated for 30 mins followed by substr...

J Med Chem 60: 5816-5825 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00514
BindingDB Entry DOI: 10.7270/Q23F4RTD
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM50239955
PNG
(CHEMBL4060150)
Show SMILES CNC(=O)[C@H](NC(=O)c1ccc(o1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)c(F)c1)C1CCCCC1 |r|
Show InChI InChI=1S/C28H31FN4O4S/c1-30-27(36)24(16-6-3-2-4-7-16)32-26(35)23-13-12-22(37-23)17-10-11-18(20(29)14-17)15-38-28-31-21-9-5-8-19(21)25(34)33-28/h10-14,16,24H,2-9,15H2,1H3,(H,30,36)(H,32,35)(H,31,33,34)/t24-/m1/s1
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n/an/a 159n/an/an/an/an/an/a



Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human MMP13 expressed in mouse NSO cells using fTHP-15 as substrate preincubated for 30 mins followed by substr...

J Med Chem 60: 5816-5825 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00514
BindingDB Entry DOI: 10.7270/Q23F4RTD
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM50239949
PNG
(CHEMBL4098541)
Show SMILES CNC(=O)[C@H](NC(=O)c1ccc(o1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)c(F)c1)C(C)C |r|
Show InChI InChI=1S/C25H27FN4O4S/c1-13(2)21(24(33)27-3)29-23(32)20-10-9-19(34-20)14-7-8-15(17(26)11-14)12-35-25-28-18-6-4-5-16(18)22(31)30-25/h7-11,13,21H,4-6,12H2,1-3H3,(H,27,33)(H,29,32)(H,28,30,31)/t21-/m1/s1
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n/an/a 257n/an/an/an/an/an/a



Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human MMP13 expressed in mouse NSO cells using fTHP-15 as substrate preincubated for 30 mins followed by substr...

J Med Chem 60: 5816-5825 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00514
BindingDB Entry DOI: 10.7270/Q23F4RTD
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM50239960
PNG
(CHEMBL4090820)
Show SMILES CNC(=O)[C@H](NC(=O)c1ccc(o1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1)C(C)C |r|
Show InChI InChI=1S/C25H28N4O4S/c1-14(2)21(24(32)26-3)28-23(31)20-12-11-19(33-20)16-9-7-15(8-10-16)13-34-25-27-18-6-4-5-17(18)22(30)29-25/h7-12,14,21H,4-6,13H2,1-3H3,(H,26,32)(H,28,31)(H,27,29,30)/t21-/m1/s1
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n/an/a 356n/an/an/an/an/an/a



Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human MMP13 expressed in mouse NSO cells using fTHP-15 as substrate preincubated for 30 mins followed by substr...

J Med Chem 60: 5816-5825 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00514
BindingDB Entry DOI: 10.7270/Q23F4RTD
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Macrophage metalloelastase


(Homo sapiens (Human))		BDBM50239952
PNG
(CHEMBL4081997)
Show SMILES NCCNS(=O)(=O)c1ccc(cc1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1
Show InChI InChI=1S/C22H24N4O3S2/c23-12-13-24-31(28,29)18-10-8-17(9-11-18)16-6-4-15(5-7-16)14-30-22-25-20-3-1-2-19(20)21(27)26-22/h4-11,24H,1-3,12-14,23H2,(H,25,26,27)
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n/an/a 467n/an/an/an/an/an/a



Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP12 expressed in baculovirus expression system using Mca-Pro-LeuGly-Leu-Dpa-Ala-Arg-NH2 as substrate by FRET assay

J Med Chem 60: 5816-5825 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00514
BindingDB Entry DOI: 10.7270/Q23F4RTD
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))		BDBM50239952
PNG
(CHEMBL4081997)
Show SMILES NCCNS(=O)(=O)c1ccc(cc1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1
Show InChI InChI=1S/C22H24N4O3S2/c23-12-13-24-31(28,29)18-10-8-17(9-11-18)16-6-4-15(5-7-16)14-30-22-25-20-3-1-2-19(20)21(27)26-22/h4-11,24H,1-3,12-14,23H2,(H,25,26,27)
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n/an/a 600n/an/an/an/an/an/a



Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States.

Curated by ChEMBL


Assay Description
Inhibition of MMP8 (unknown origin) using fTHP-15 as substrate preincubated for 30 mins followed by substrate addition measured immediately by fluore...

J Med Chem 60: 5816-5825 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00514
BindingDB Entry DOI: 10.7270/Q23F4RTD
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50239952
PNG
(CHEMBL4081997)
Show SMILES NCCNS(=O)(=O)c1ccc(cc1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1
Show InChI InChI=1S/C22H24N4O3S2/c23-12-13-24-31(28,29)18-10-8-17(9-11-18)16-6-4-15(5-7-16)14-30-22-25-20-3-1-2-19(20)21(27)26-22/h4-11,24H,1-3,12-14,23H2,(H,25,26,27)
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n/an/a 730n/an/an/an/an/an/a



Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP2 expressed in mouse NSO cells using fTHP-15 as substrate preincubated for 30 mins followed by substrate addition ...

J Med Chem 60: 5816-5825 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00514
BindingDB Entry DOI: 10.7270/Q23F4RTD
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))		BDBM50239954
PNG
(CHEMBL4080520)
Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)c(F)c1)C(C)C |r|
Show InChI InChI=1S/C25H27FN4O4S/c1-13(2)21(24(33)27-3)29-23(32)20-10-9-19(34-20)14-7-8-15(17(26)11-14)12-35-25-28-18-6-4-5-16(18)22(31)30-25/h7-11,13,21H,4-6,12H2,1-3H3,(H,27,33)(H,29,32)(H,28,30,31)/t21-/m0/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP12 expressed in baculovirus expression system using Mca-Pro-LeuGly-Leu-Dpa-Ala-Arg-NH2 as substrate by FRET assay

J Med Chem 60: 5816-5825 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00514
BindingDB Entry DOI: 10.7270/Q23F4RTD
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM50361639
PNG
(CHEMBL1371684)
Show SMILES Cc1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1
Show InChI InChI=1S/C15H16N2OS/c1-10-5-7-11(8-6-10)9-19-15-16-13-4-2-3-12(13)14(18)17-15/h5-8H,2-4,9H2,1H3,(H,16,17,18)
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n/an/a 2.40E+3n/an/an/an/an/an/a



Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human MMP13 expressed in mouse NSO cells using fTHP-15 as substrate preincubated for 30 mins followed by substr...

J Med Chem 60: 5816-5825 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00514
BindingDB Entry DOI: 10.7270/Q23F4RTD
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50239953
PNG
(CHEMBL4081049)
Show SMILES N[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(cc1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1 |r|
Show InChI InChI=1S/C26H30N4O3S2/c27-22-5-1-2-6-24(22)30-35(32,33)20-14-12-19(13-15-20)18-10-8-17(9-11-18)16-34-26-28-23-7-3-4-21(23)25(31)29-26/h8-15,22,24,30H,1-7,16,27H2,(H,28,29,31)/t22-,24+/m0/s1
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n/an/a 2.70E+3n/an/an/an/an/an/a



Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP2 expressed in mouse NSO cells using fTHP-15 as substrate preincubated for 30 mins followed by substrate addition ...

J Med Chem 60: 5816-5825 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00514
BindingDB Entry DOI: 10.7270/Q23F4RTD
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50239949
PNG
(CHEMBL4098541)
Show SMILES CNC(=O)[C@H](NC(=O)c1ccc(o1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)c(F)c1)C(C)C |r|
Show InChI InChI=1S/C25H27FN4O4S/c1-13(2)21(24(33)27-3)29-23(32)20-10-9-19(34-20)14-7-8-15(17(26)11-14)12-35-25-28-18-6-4-5-16(18)22(31)30-25/h7-11,13,21H,4-6,12H2,1-3H3,(H,27,33)(H,29,32)(H,28,30,31)/t21-/m1/s1
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n/an/a 3.10E+3n/an/an/an/an/an/a



Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP2 expressed in mouse NSO cells using fTHP-15 as substrate preincubated for 30 mins followed by substrate addition ...

J Med Chem 60: 5816-5825 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00514
BindingDB Entry DOI: 10.7270/Q23F4RTD
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))		BDBM50239953
PNG
(CHEMBL4081049)
Show SMILES N[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(cc1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1 |r|
Show InChI InChI=1S/C26H30N4O3S2/c27-22-5-1-2-6-24(22)30-35(32,33)20-14-12-19(13-15-20)18-10-8-17(9-11-18)16-34-26-28-23-7-3-4-21(23)25(31)29-26/h8-15,22,24,30H,1-7,16,27H2,(H,28,29,31)/t22-,24+/m0/s1
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n/an/a 3.50E+3n/an/an/an/an/an/a



Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States.

Curated by ChEMBL


Assay Description
Inhibition of MMP8 (unknown origin) using fTHP-15 as substrate preincubated for 30 mins followed by substrate addition measured immediately by fluore...

J Med Chem 60: 5816-5825 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00514
BindingDB Entry DOI: 10.7270/Q23F4RTD
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))		BDBM50239951
PNG
(CHEMBL4100008)
Show SMILES OCCNS(=O)(=O)c1ccc(cc1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1
Show InChI InChI=1S/C22H23N3O4S2/c26-13-12-23-31(28,29)18-10-8-17(9-11-18)16-6-4-15(5-7-16)14-30-22-24-20-3-1-2-19(20)21(27)25-22/h4-11,23,26H,1-3,12-14H2,(H,24,25,27)
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n/an/a 4.00E+3n/an/an/an/an/an/a



Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP1 expressed in mouse NSO cells using fTHP-15 as substrate preincubated for 30 mins followed by substrate addition ...

J Med Chem 60: 5816-5825 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00514
BindingDB Entry DOI: 10.7270/Q23F4RTD
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))		BDBM50239954
PNG
(CHEMBL4080520)
Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)c(F)c1)C(C)C |r|
Show InChI InChI=1S/C25H27FN4O4S/c1-13(2)21(24(33)27-3)29-23(32)20-10-9-19(34-20)14-7-8-15(17(26)11-14)12-35-25-28-18-6-4-5-16(18)22(31)30-25/h7-11,13,21H,4-6,12H2,1-3H3,(H,27,33)(H,29,32)(H,28,30,31)/t21-/m0/s1
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n/an/a 4.40E+3n/an/an/an/an/an/a



Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP3 expressed in baculovirus expression system using Mca-Pro-LeuGly-Leu-Dpa-Ala-Arg-NH2 as substrate by FRET assay

J Med Chem 60: 5816-5825 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00514
BindingDB Entry DOI: 10.7270/Q23F4RTD
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))		BDBM50239950
PNG
(CHEMBL4088383)
Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)c(F)c1)C1CCCCC1 |r|
Show InChI InChI=1S/C28H31FN4O4S/c1-30-27(36)24(16-6-3-2-4-7-16)32-26(35)23-13-12-22(37-23)17-10-11-18(20(29)14-17)15-38-28-31-21-9-5-8-19(21)25(34)33-28/h10-14,16,24H,2-9,15H2,1H3,(H,30,36)(H,32,35)(H,31,33,34)/t24-/m0/s1
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Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP1 expressed in mouse NSO cells using fTHP-15 as substrate preincubated for 30 mins followed by substrate addition ...

J Med Chem 60: 5816-5825 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00514
BindingDB Entry DOI: 10.7270/Q23F4RTD
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))		BDBM50239954
PNG
(CHEMBL4080520)
Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)c(F)c1)C(C)C |r|
Show InChI InChI=1S/C25H27FN4O4S/c1-13(2)21(24(33)27-3)29-23(32)20-10-9-19(34-20)14-7-8-15(17(26)11-14)12-35-25-28-18-6-4-5-16(18)22(31)30-25/h7-11,13,21H,4-6,12H2,1-3H3,(H,27,33)(H,29,32)(H,28,30,31)/t21-/m0/s1
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Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP1 expressed in mouse NSO cells using fTHP-15 as substrate preincubated for 30 mins followed by substrate addition ...

J Med Chem 60: 5816-5825 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00514
BindingDB Entry DOI: 10.7270/Q23F4RTD
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))		BDBM50239950
PNG
(CHEMBL4088383)
Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)c(F)c1)C1CCCCC1 |r|
Show InChI InChI=1S/C28H31FN4O4S/c1-30-27(36)24(16-6-3-2-4-7-16)32-26(35)23-13-12-22(37-23)17-10-11-18(20(29)14-17)15-38-28-31-21-9-5-8-19(21)25(34)33-28/h10-14,16,24H,2-9,15H2,1H3,(H,30,36)(H,32,35)(H,31,33,34)/t24-/m0/s1
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Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States.

Curated by ChEMBL


Assay Description
Inhibition of MMP8 (unknown origin) using fTHP-15 as substrate preincubated for 30 mins followed by substrate addition measured immediately by fluore...

J Med Chem 60: 5816-5825 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00514
BindingDB Entry DOI: 10.7270/Q23F4RTD
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM50239949
PNG
(CHEMBL4098541)
Show SMILES CNC(=O)[C@H](NC(=O)c1ccc(o1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)c(F)c1)C(C)C |r|
Show InChI InChI=1S/C25H27FN4O4S/c1-13(2)21(24(33)27-3)29-23(32)20-10-9-19(34-20)14-7-8-15(17(26)11-14)12-35-25-28-18-6-4-5-16(18)22(31)30-25/h7-11,13,21H,4-6,12H2,1-3H3,(H,27,33)(H,29,32)(H,28,30,31)/t21-/m1/s1
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Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States.

Curated by ChEMBL


Assay Description
Inhibition of MMP9 (unknown origin) using fTHP-15 as substrate preincubated for 30 mins followed by substrate addition measured immediately by fluore...

J Med Chem 60: 5816-5825 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00514
BindingDB Entry DOI: 10.7270/Q23F4RTD
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50239955
PNG
(CHEMBL4060150)
Show SMILES CNC(=O)[C@H](NC(=O)c1ccc(o1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)c(F)c1)C1CCCCC1 |r|
Show InChI InChI=1S/C28H31FN4O4S/c1-30-27(36)24(16-6-3-2-4-7-16)32-26(35)23-13-12-22(37-23)17-10-11-18(20(29)14-17)15-38-28-31-21-9-5-8-19(21)25(34)33-28/h10-14,16,24H,2-9,15H2,1H3,(H,30,36)(H,32,35)(H,31,33,34)/t24-/m1/s1
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Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP2 expressed in mouse NSO cells using fTHP-15 as substrate preincubated for 30 mins followed by substrate addition ...

J Med Chem 60: 5816-5825 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00514
BindingDB Entry DOI: 10.7270/Q23F4RTD
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM50239950
PNG
(CHEMBL4088383)
Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)c(F)c1)C1CCCCC1 |r|
Show InChI InChI=1S/C28H31FN4O4S/c1-30-27(36)24(16-6-3-2-4-7-16)32-26(35)23-13-12-22(37-23)17-10-11-18(20(29)14-17)15-38-28-31-21-9-5-8-19(21)25(34)33-28/h10-14,16,24H,2-9,15H2,1H3,(H,30,36)(H,32,35)(H,31,33,34)/t24-/m0/s1
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Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States.

Curated by ChEMBL


Assay Description
Inhibition of leucine aminopeptidase; Ki value reporting the slope effect(Kis)

J Med Chem 60: 5816-5825 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00514
BindingDB Entry DOI: 10.7270/Q23F4RTD
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14


(Homo sapiens (Human))		BDBM50239949
PNG
(CHEMBL4098541)
Show SMILES CNC(=O)[C@H](NC(=O)c1ccc(o1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)c(F)c1)C(C)C |r|
Show InChI InChI=1S/C25H27FN4O4S/c1-13(2)21(24(33)27-3)29-23(32)20-10-9-19(34-20)14-7-8-15(17(26)11-14)12-35-25-28-18-6-4-5-16(18)22(31)30-25/h7-11,13,21H,4-6,12H2,1-3H3,(H,27,33)(H,29,32)(H,28,30,31)/t21-/m1/s1
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Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States.

Curated by ChEMBL


Assay Description
Non-competitive inhibition of aminopeptidase B or arginyl aminopeptidase purified from rat liver; Ki value reporting the Kid

J Med Chem 60: 5816-5825 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00514
BindingDB Entry DOI: 10.7270/Q23F4RTD
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50239950
PNG
(CHEMBL4088383)
Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)c(F)c1)C1CCCCC1 |r|
Show InChI InChI=1S/C28H31FN4O4S/c1-30-27(36)24(16-6-3-2-4-7-16)32-26(35)23-13-12-22(37-23)17-10-11-18(20(29)14-17)15-38-28-31-21-9-5-8-19(21)25(34)33-28/h10-14,16,24H,2-9,15H2,1H3,(H,30,36)(H,32,35)(H,31,33,34)/t24-/m0/s1
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Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP2 expressed in mouse NSO cells using fTHP-15 as substrate preincubated for 30 mins followed by substrate addition ...

J Med Chem 60: 5816-5825 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00514
BindingDB Entry DOI: 10.7270/Q23F4RTD
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))		BDBM50239949
PNG
(CHEMBL4098541)
Show SMILES CNC(=O)[C@H](NC(=O)c1ccc(o1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)c(F)c1)C(C)C |r|
Show InChI InChI=1S/C25H27FN4O4S/c1-13(2)21(24(33)27-3)29-23(32)20-10-9-19(34-20)14-7-8-15(17(26)11-14)12-35-25-28-18-6-4-5-16(18)22(31)30-25/h7-11,13,21H,4-6,12H2,1-3H3,(H,27,33)(H,29,32)(H,28,30,31)/t21-/m1/s1
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Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States.

Curated by ChEMBL


Assay Description
Inhibition of MMP8 (unknown origin) using fTHP-15 as substrate preincubated for 30 mins followed by substrate addition measured immediately by fluore...

J Med Chem 60: 5816-5825 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00514
BindingDB Entry DOI: 10.7270/Q23F4RTD
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14


(Homo sapiens (Human))		BDBM50239954
PNG
(CHEMBL4080520)
Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)c(F)c1)C(C)C |r|
Show InChI InChI=1S/C25H27FN4O4S/c1-13(2)21(24(33)27-3)29-23(32)20-10-9-19(34-20)14-7-8-15(17(26)11-14)12-35-25-28-18-6-4-5-16(18)22(31)30-25/h7-11,13,21H,4-6,12H2,1-3H3,(H,27,33)(H,29,32)(H,28,30,31)/t21-/m0/s1
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Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP14 using fTHP-15 as substrate preincubated for 30 mins followed by substrate addition measured immediately by fluo...

J Med Chem 60: 5816-5825 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00514
BindingDB Entry DOI: 10.7270/Q23F4RTD
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM50239954
PNG
(CHEMBL4080520)
Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)c(F)c1)C(C)C |r|
Show InChI InChI=1S/C25H27FN4O4S/c1-13(2)21(24(33)27-3)29-23(32)20-10-9-19(34-20)14-7-8-15(17(26)11-14)12-35-25-28-18-6-4-5-16(18)22(31)30-25/h7-11,13,21H,4-6,12H2,1-3H3,(H,27,33)(H,29,32)(H,28,30,31)/t21-/m0/s1
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Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States.

Curated by ChEMBL


Assay Description
Inhibition of MMP9 (unknown origin) using fTHP-15 as substrate preincubated for 30 mins followed by substrate addition measured immediately by fluore...

J Med Chem 60: 5816-5825 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00514
BindingDB Entry DOI: 10.7270/Q23F4RTD
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50239951
PNG
(CHEMBL4100008)
Show SMILES OCCNS(=O)(=O)c1ccc(cc1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1
Show InChI InChI=1S/C22H23N3O4S2/c26-13-12-23-31(28,29)18-10-8-17(9-11-18)16-6-4-15(5-7-16)14-30-22-24-20-3-1-2-19(20)21(27)25-22/h4-11,23,26H,1-3,12-14H2,(H,24,25,27)
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Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP2 expressed in mouse NSO cells using fTHP-15 as substrate preincubated for 30 mins followed by substrate addition ...

J Med Chem 60: 5816-5825 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00514
BindingDB Entry DOI: 10.7270/Q23F4RTD
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50239954
PNG
(CHEMBL4080520)
Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)c(F)c1)C(C)C |r|
Show InChI InChI=1S/C25H27FN4O4S/c1-13(2)21(24(33)27-3)29-23(32)20-10-9-19(34-20)14-7-8-15(17(26)11-14)12-35-25-28-18-6-4-5-16(18)22(31)30-25/h7-11,13,21H,4-6,12H2,1-3H3,(H,27,33)(H,29,32)(H,28,30,31)/t21-/m0/s1
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Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP2 expressed in mouse NSO cells using fTHP-15 as substrate preincubated for 30 mins followed by substrate addition ...

J Med Chem 60: 5816-5825 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00514
BindingDB Entry DOI: 10.7270/Q23F4RTD
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM50239955
PNG
(CHEMBL4060150)
Show SMILES CNC(=O)[C@H](NC(=O)c1ccc(o1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)c(F)c1)C1CCCCC1 |r|
Show InChI InChI=1S/C28H31FN4O4S/c1-30-27(36)24(16-6-3-2-4-7-16)32-26(35)23-13-12-22(37-23)17-10-11-18(20(29)14-17)15-38-28-31-21-9-5-8-19(21)25(34)33-28/h10-14,16,24H,2-9,15H2,1H3,(H,30,36)(H,32,35)(H,31,33,34)/t24-/m1/s1
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Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States.

Curated by ChEMBL


Assay Description
Inhibition of MMP9 (unknown origin) using fTHP-15 as substrate preincubated for 30 mins followed by substrate addition measured immediately by fluore...

J Med Chem 60: 5816-5825 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00514
BindingDB Entry DOI: 10.7270/Q23F4RTD
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))		BDBM50239952
PNG
(CHEMBL4081997)
Show SMILES NCCNS(=O)(=O)c1ccc(cc1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1
Show InChI InChI=1S/C22H24N4O3S2/c23-12-13-24-31(28,29)18-10-8-17(9-11-18)16-6-4-15(5-7-16)14-30-22-25-20-3-1-2-19(20)21(27)26-22/h4-11,24H,1-3,12-14,23H2,(H,25,26,27)
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Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP1 expressed in mouse NSO cells using fTHP-15 as substrate preincubated for 30 mins followed by substrate addition ...

J Med Chem 60: 5816-5825 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00514
BindingDB Entry DOI: 10.7270/Q23F4RTD
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14


(Homo sapiens (Human))		BDBM50239955
PNG
(CHEMBL4060150)
Show SMILES CNC(=O)[C@H](NC(=O)c1ccc(o1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)c(F)c1)C1CCCCC1 |r|
Show InChI InChI=1S/C28H31FN4O4S/c1-30-27(36)24(16-6-3-2-4-7-16)32-26(35)23-13-12-22(37-23)17-10-11-18(20(29)14-17)15-38-28-31-21-9-5-8-19(21)25(34)33-28/h10-14,16,24H,2-9,15H2,1H3,(H,30,36)(H,32,35)(H,31,33,34)/t24-/m1/s1
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Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP14 using fTHP-15 as substrate preincubated for 30 mins followed by substrate addition measured immediately by fluo...

J Med Chem 60: 5816-5825 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00514
BindingDB Entry DOI: 10.7270/Q23F4RTD
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))		BDBM50239955
PNG
(CHEMBL4060150)
Show SMILES CNC(=O)[C@H](NC(=O)c1ccc(o1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)c(F)c1)C1CCCCC1 |r|
Show InChI InChI=1S/C28H31FN4O4S/c1-30-27(36)24(16-6-3-2-4-7-16)32-26(35)23-13-12-22(37-23)17-10-11-18(20(29)14-17)15-38-28-31-21-9-5-8-19(21)25(34)33-28/h10-14,16,24H,2-9,15H2,1H3,(H,30,36)(H,32,35)(H,31,33,34)/t24-/m1/s1
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Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP1 expressed in mouse NSO cells using fTHP-15 as substrate preincubated for 30 mins followed by substrate addition ...

J Med Chem 60: 5816-5825 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00514
BindingDB Entry DOI: 10.7270/Q23F4RTD
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))		BDBM50239951
PNG
(CHEMBL4100008)
Show SMILES OCCNS(=O)(=O)c1ccc(cc1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1
Show InChI InChI=1S/C22H23N3O4S2/c26-13-12-23-31(28,29)18-10-8-17(9-11-18)16-6-4-15(5-7-16)14-30-22-24-20-3-1-2-19(20)21(27)25-22/h4-11,23,26H,1-3,12-14H2,(H,24,25,27)
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Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States.

Curated by ChEMBL


Assay Description
Inhibition of MMP8 (unknown origin) using fTHP-15 as substrate preincubated for 30 mins followed by substrate addition measured immediately by fluore...

J Med Chem 60: 5816-5825 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00514
BindingDB Entry DOI: 10.7270/Q23F4RTD
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14


(Homo sapiens (Human))		BDBM50239950
PNG
(CHEMBL4088383)
Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)c(F)c1)C1CCCCC1 |r|
Show InChI InChI=1S/C28H31FN4O4S/c1-30-27(36)24(16-6-3-2-4-7-16)32-26(35)23-13-12-22(37-23)17-10-11-18(20(29)14-17)15-38-28-31-21-9-5-8-19(21)25(34)33-28/h10-14,16,24H,2-9,15H2,1H3,(H,30,36)(H,32,35)(H,31,33,34)/t24-/m0/s1
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Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP14 using fTHP-15 as substrate preincubated for 30 mins followed by substrate addition measured immediately by fluo...

J Med Chem 60: 5816-5825 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00514
BindingDB Entry DOI: 10.7270/Q23F4RTD
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))		BDBM50239949
PNG
(CHEMBL4098541)
Show SMILES CNC(=O)[C@H](NC(=O)c1ccc(o1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)c(F)c1)C(C)C |r|
Show InChI InChI=1S/C25H27FN4O4S/c1-13(2)21(24(33)27-3)29-23(32)20-10-9-19(34-20)14-7-8-15(17(26)11-14)12-35-25-28-18-6-4-5-16(18)22(31)30-25/h7-11,13,21H,4-6,12H2,1-3H3,(H,27,33)(H,29,32)(H,28,30,31)/t21-/m1/s1
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Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP1 expressed in mouse NSO cells using fTHP-15 as substrate preincubated for 30 mins followed by substrate addition ...

J Med Chem 60: 5816-5825 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00514
BindingDB Entry DOI: 10.7270/Q23F4RTD
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))		BDBM50239954
PNG
(CHEMBL4080520)
Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)c(F)c1)C(C)C |r|
Show InChI InChI=1S/C25H27FN4O4S/c1-13(2)21(24(33)27-3)29-23(32)20-10-9-19(34-20)14-7-8-15(17(26)11-14)12-35-25-28-18-6-4-5-16(18)22(31)30-25/h7-11,13,21H,4-6,12H2,1-3H3,(H,27,33)(H,29,32)(H,28,30,31)/t21-/m0/s1
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Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States.

Curated by ChEMBL


Assay Description
Inhibition of MMP8 (unknown origin) using fTHP-15 as substrate preincubated for 30 mins followed by substrate addition measured immediately by fluore...

J Med Chem 60: 5816-5825 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00514
BindingDB Entry DOI: 10.7270/Q23F4RTD
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))		BDBM50239955
PNG
(CHEMBL4060150)
Show SMILES CNC(=O)[C@H](NC(=O)c1ccc(o1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)c(F)c1)C1CCCCC1 |r|
Show InChI InChI=1S/C28H31FN4O4S/c1-30-27(36)24(16-6-3-2-4-7-16)32-26(35)23-13-12-22(37-23)17-10-11-18(20(29)14-17)15-38-28-31-21-9-5-8-19(21)25(34)33-28/h10-14,16,24H,2-9,15H2,1H3,(H,30,36)(H,32,35)(H,31,33,34)/t24-/m1/s1
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Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States.

Curated by ChEMBL


Assay Description
Inhibition of MMP8 (unknown origin) using fTHP-15 as substrate preincubated for 30 mins followed by substrate addition measured immediately by fluore...

J Med Chem 60: 5816-5825 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00514
BindingDB Entry DOI: 10.7270/Q23F4RTD
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))		BDBM50239953
PNG
(CHEMBL4081049)
Show SMILES N[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(cc1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1 |r|
Show InChI InChI=1S/C26H30N4O3S2/c27-22-5-1-2-6-24(22)30-35(32,33)20-14-12-19(13-15-20)18-10-8-17(9-11-18)16-34-26-28-23-7-3-4-21(23)25(31)29-26/h8-15,22,24,30H,1-7,16,27H2,(H,28,29,31)/t22-,24+/m0/s1
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Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP1 expressed in mouse NSO cells using fTHP-15 as substrate preincubated for 30 mins followed by substrate addition ...

J Med Chem 60: 5816-5825 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00514
BindingDB Entry DOI: 10.7270/Q23F4RTD
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14


(Homo sapiens (Human))		BDBM50239958
PNG
(CHEMBL4105299)
Show SMILES N[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(cc1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1 |r|
Show InChI InChI=1S/C26H30N4O3S2/c27-22-5-1-2-6-24(22)30-35(32,33)20-14-12-19(13-15-20)18-10-8-17(9-11-18)16-34-26-28-23-7-3-4-21(23)25(31)29-26/h8-15,22,24,30H,1-7,16,27H2,(H,28,29,31)/t22-,24-/m1/s1
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Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP14 using fTHP-15 as substrate preincubated for 30 mins followed by substrate addition measured immediately by fluo...

J Med Chem 60: 5816-5825 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00514
BindingDB Entry DOI: 10.7270/Q23F4RTD
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14


(Homo sapiens (Human))		BDBM50239951
PNG
(CHEMBL4100008)
Show SMILES OCCNS(=O)(=O)c1ccc(cc1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1
Show InChI InChI=1S/C22H23N3O4S2/c26-13-12-23-31(28,29)18-10-8-17(9-11-18)16-6-4-15(5-7-16)14-30-22-24-20-3-1-2-19(20)21(27)25-22/h4-11,23,26H,1-3,12-14H2,(H,24,25,27)
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Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP14 using fTHP-15 as substrate preincubated for 30 mins followed by substrate addition measured immediately by fluo...

J Med Chem 60: 5816-5825 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00514
BindingDB Entry DOI: 10.7270/Q23F4RTD
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))		BDBM50239958
PNG
(CHEMBL4105299)
Show SMILES N[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(cc1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1 |r|
Show InChI InChI=1S/C26H30N4O3S2/c27-22-5-1-2-6-24(22)30-35(32,33)20-14-12-19(13-15-20)18-10-8-17(9-11-18)16-34-26-28-23-7-3-4-21(23)25(31)29-26/h8-15,22,24,30H,1-7,16,27H2,(H,28,29,31)/t22-,24-/m1/s1
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Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States.

Curated by ChEMBL


Assay Description
Inhibition of MMP8 (unknown origin) using fTHP-15 as substrate preincubated for 30 mins followed by substrate addition measured immediately by fluore...

J Med Chem 60: 5816-5825 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00514
BindingDB Entry DOI: 10.7270/Q23F4RTD
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50239958
PNG
(CHEMBL4105299)
Show SMILES N[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(cc1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1 |r|
Show InChI InChI=1S/C26H30N4O3S2/c27-22-5-1-2-6-24(22)30-35(32,33)20-14-12-19(13-15-20)18-10-8-17(9-11-18)16-34-26-28-23-7-3-4-21(23)25(31)29-26/h8-15,22,24,30H,1-7,16,27H2,(H,28,29,31)/t22-,24-/m1/s1
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Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP2 expressed in mouse NSO cells using fTHP-15 as substrate preincubated for 30 mins followed by substrate addition ...

J Med Chem 60: 5816-5825 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00514
BindingDB Entry DOI: 10.7270/Q23F4RTD
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14


(Homo sapiens (Human))		BDBM50239953
PNG
(CHEMBL4081049)
Show SMILES N[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(cc1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1 |r|
Show InChI InChI=1S/C26H30N4O3S2/c27-22-5-1-2-6-24(22)30-35(32,33)20-14-12-19(13-15-20)18-10-8-17(9-11-18)16-34-26-28-23-7-3-4-21(23)25(31)29-26/h8-15,22,24,30H,1-7,16,27H2,(H,28,29,31)/t22-,24+/m0/s1
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Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States.

Curated by ChEMBL


Assay Description
Inhibition of aminopeptidase M or membrane leucine aminopeptidase

J Med Chem 60: 5816-5825 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00514
BindingDB Entry DOI: 10.7270/Q23F4RTD
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))		BDBM50239958
PNG
(CHEMBL4105299)
Show SMILES N[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(cc1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1 |r|
Show InChI InChI=1S/C26H30N4O3S2/c27-22-5-1-2-6-24(22)30-35(32,33)20-14-12-19(13-15-20)18-10-8-17(9-11-18)16-34-26-28-23-7-3-4-21(23)25(31)29-26/h8-15,22,24,30H,1-7,16,27H2,(H,28,29,31)/t22-,24-/m1/s1
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Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP1 expressed in mouse NSO cells using fTHP-15 as substrate preincubated for 30 mins followed by substrate addition ...

J Med Chem 60: 5816-5825 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00514
BindingDB Entry DOI: 10.7270/Q23F4RTD
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM50239951
PNG
(CHEMBL4100008)
Show SMILES OCCNS(=O)(=O)c1ccc(cc1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1
Show InChI InChI=1S/C22H23N3O4S2/c26-13-12-23-31(28,29)18-10-8-17(9-11-18)16-6-4-15(5-7-16)14-30-22-24-20-3-1-2-19(20)21(27)25-22/h4-11,23,26H,1-3,12-14H2,(H,24,25,27)
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Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States.

Curated by ChEMBL


Assay Description
Inhibition of MMP9 (unknown origin) using fTHP-15 as substrate preincubated for 30 mins followed by substrate addition measured immediately by fluore...

J Med Chem 60: 5816-5825 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00514
BindingDB Entry DOI: 10.7270/Q23F4RTD
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM50239952
PNG
(CHEMBL4081997)
Show SMILES NCCNS(=O)(=O)c1ccc(cc1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1
Show InChI InChI=1S/C22H24N4O3S2/c23-12-13-24-31(28,29)18-10-8-17(9-11-18)16-6-4-15(5-7-16)14-30-22-25-20-3-1-2-19(20)21(27)26-22/h4-11,24H,1-3,12-14,23H2,(H,25,26,27)
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Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States.

Curated by ChEMBL


Assay Description
Inhibition of MMP9 (unknown origin) using fTHP-15 as substrate preincubated for 30 mins followed by substrate addition measured immediately by fluore...

J Med Chem 60: 5816-5825 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00514
BindingDB Entry DOI: 10.7270/Q23F4RTD
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM50239958
PNG
(CHEMBL4105299)
Show SMILES N[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(cc1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1 |r|
Show InChI InChI=1S/C26H30N4O3S2/c27-22-5-1-2-6-24(22)30-35(32,33)20-14-12-19(13-15-20)18-10-8-17(9-11-18)16-34-26-28-23-7-3-4-21(23)25(31)29-26/h8-15,22,24,30H,1-7,16,27H2,(H,28,29,31)/t22-,24-/m1/s1
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Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States.

Curated by ChEMBL


Assay Description
Inhibition of MMP9 (unknown origin) using fTHP-15 as substrate preincubated for 30 mins followed by substrate addition measured immediately by fluore...

J Med Chem 60: 5816-5825 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00514
BindingDB Entry DOI: 10.7270/Q23F4RTD
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM50239953
PNG
(CHEMBL4081049)
Show SMILES N[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(cc1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1 |r|
Show InChI InChI=1S/C26H30N4O3S2/c27-22-5-1-2-6-24(22)30-35(32,33)20-14-12-19(13-15-20)18-10-8-17(9-11-18)16-34-26-28-23-7-3-4-21(23)25(31)29-26/h8-15,22,24,30H,1-7,16,27H2,(H,28,29,31)/t22-,24+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States.

Curated by ChEMBL


Assay Description
Inhibition of MMP9 (unknown origin) using fTHP-15 as substrate preincubated for 30 mins followed by substrate addition measured immediately by fluore...

J Med Chem 60: 5816-5825 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00514
BindingDB Entry DOI: 10.7270/Q23F4RTD
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14


(Homo sapiens (Human))		BDBM50239952
PNG
(CHEMBL4081997)
Show SMILES NCCNS(=O)(=O)c1ccc(cc1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1
Show InChI InChI=1S/C22H24N4O3S2/c23-12-13-24-31(28,29)18-10-8-17(9-11-18)16-6-4-15(5-7-16)14-30-22-25-20-3-1-2-19(20)21(27)26-22/h4-11,24H,1-3,12-14,23H2,(H,25,26,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States.

Curated by ChEMBL


Assay Description
Competitive inhibition of aminopeptidase M or membrane leucine aminopeptidase; Ki value reporting the slope effect(Kis)

J Med Chem 60: 5816-5825 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00514
BindingDB Entry DOI: 10.7270/Q23F4RTD
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%