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Compile Data Set for Download or QSAR

Found 21 hits of ic50 for monomerid = 50238243   
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
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))
BDBM50238243
PNG
(CHEMBL4097165)
Show SMILES FC(F)(F)c1ccc2oc(cc2c1)C(=O)NC[C@]1(NC(=O)NC1=O)C1CC1 |r|
Show InChI InChI=1S/C17H14F3N3O4/c18-17(19,20)10-3-4-11-8(5-10)6-12(27-11)13(24)21-7-16(9-1-2-9)14(25)22-15(26)23-16/h3-6,9H,1-2,7H2,(H,21,24)(H2,22,23,25,26)/t16-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human ADAMTS5 using 43-mer VQTVTWPDMELPLPRNITEGEARGSVILTVKPIFEVSPSPLKG as substrate measured after 3 hrs by AlphaScreen assay


J Med Chem 59: 5810-22 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00398
BindingDB Entry DOI: 10.7270/Q280563T
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))
BDBM50238243
PNG
(CHEMBL4097165)
Show SMILES FC(F)(F)c1ccc2oc(cc2c1)C(=O)NC[C@]1(NC(=O)NC1=O)C1CC1 |r|
Show InChI InChI=1S/C17H14F3N3O4/c18-17(19,20)10-3-4-11-8(5-10)6-12(27-11)13(24)21-7-16(9-1-2-9)14(25)22-15(26)23-16/h3-6,9H,1-2,7H2,(H,21,24)(H2,22,23,25,26)/t16-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human ADAMTS5 using 43-mer VQTVTWPDMELPLPRNITEGEARGSVILTVKPIFEVSPSPLKG as substrate measured after 3 hrs by AlphaScreen assay


J Med Chem 59: 5810-22 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00398
BindingDB Entry DOI: 10.7270/Q280563T
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4


(Homo sapiens (Human))
BDBM50238243
PNG
(CHEMBL4097165)
Show SMILES FC(F)(F)c1ccc2oc(cc2c1)C(=O)NC[C@]1(NC(=O)NC1=O)C1CC1 |r|
Show InChI InChI=1S/C17H14F3N3O4/c18-17(19,20)10-3-4-11-8(5-10)6-12(27-11)13(24)21-7-16(9-1-2-9)14(25)22-15(26)23-16/h3-6,9H,1-2,7H2,(H,21,24)(H2,22,23,25,26)/t16-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human ADAMTS4 using 43-mer VQTVTWPDMELPLPRNITEGEARGSVILTVKPIFEVSPSPLKG as substrate measured after 3 hrs by AlphaScreen assay


J Med Chem 59: 5810-22 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00398
BindingDB Entry DOI: 10.7270/Q280563T
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4


(Homo sapiens (Human))
BDBM50238243
PNG
(CHEMBL4097165)
Show SMILES FC(F)(F)c1ccc2oc(cc2c1)C(=O)NC[C@]1(NC(=O)NC1=O)C1CC1 |r|
Show InChI InChI=1S/C17H14F3N3O4/c18-17(19,20)10-3-4-11-8(5-10)6-12(27-11)13(24)21-7-16(9-1-2-9)14(25)22-15(26)23-16/h3-6,9H,1-2,7H2,(H,21,24)(H2,22,23,25,26)/t16-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human ADAMTS4 using 43-mer VQTVTWPDMELPLPRNITEGEARGSVILTVKPIFEVSPSPLKG as substrate measured after 3 hrs by AlphaScreen assay


J Med Chem 59: 5810-22 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00398
BindingDB Entry DOI: 10.7270/Q280563T
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50238243
PNG
(CHEMBL4097165)
Show SMILES FC(F)(F)c1ccc2oc(cc2c1)C(=O)NC[C@]1(NC(=O)NC1=O)C1CC1 |r|
Show InChI InChI=1S/C17H14F3N3O4/c18-17(19,20)10-3-4-11-8(5-10)6-12(27-11)13(24)21-7-16(9-1-2-9)14(25)22-15(26)23-16/h3-6,9H,1-2,7H2,(H,21,24)(H2,22,23,25,26)/t16-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human MMP12 using Mca-PQGL-(3-[2, 4-dinitrophenyl]-L-2, 3-diaminopropionyl)-AR-OH as substrate after 2 to 4 hrs by fluorescence assay


J Med Chem 60: 5933-5939 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00650
BindingDB Entry DOI: 10.7270/Q2Z321XM
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))
BDBM50238243
PNG
(CHEMBL4097165)
Show SMILES FC(F)(F)c1ccc2oc(cc2c1)C(=O)NC[C@]1(NC(=O)NC1=O)C1CC1 |r|
Show InChI InChI=1S/C17H14F3N3O4/c18-17(19,20)10-3-4-11-8(5-10)6-12(27-11)13(24)21-7-16(9-1-2-9)14(25)22-15(26)23-16/h3-6,9H,1-2,7H2,(H,21,24)(H2,22,23,25,26)/t16-/m0/s1
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n/an/a 63n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human ADAMTS5 using 43-mer-VQTVTWPDMELPLPRNITEGEARGSVILTVKPIFEVSPSPLKG as substrate in presence of Lewis rat plasma measured after 3 hr...


J Med Chem 59: 5810-22 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00398
BindingDB Entry DOI: 10.7270/Q280563T
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))
BDBM50238243
PNG
(CHEMBL4097165)
Show SMILES FC(F)(F)c1ccc2oc(cc2c1)C(=O)NC[C@]1(NC(=O)NC1=O)C1CC1 |r|
Show InChI InChI=1S/C17H14F3N3O4/c18-17(19,20)10-3-4-11-8(5-10)6-12(27-11)13(24)21-7-16(9-1-2-9)14(25)22-15(26)23-16/h3-6,9H,1-2,7H2,(H,21,24)(H2,22,23,25,26)/t16-/m0/s1
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n/an/a 63n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human ADAMTS5 using 43-mer-VQTVTWPDMELPLPRNITEGEARGSVILTVKPIFEVSPSPLKG as substrate in presence of Lewis rat plasma measured after 3 hr...


J Med Chem 59: 5810-22 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00398
BindingDB Entry DOI: 10.7270/Q280563T
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50238243
PNG
(CHEMBL4097165)
Show SMILES FC(F)(F)c1ccc2oc(cc2c1)C(=O)NC[C@]1(NC(=O)NC1=O)C1CC1 |r|
Show InChI InChI=1S/C17H14F3N3O4/c18-17(19,20)10-3-4-11-8(5-10)6-12(27-11)13(24)21-7-16(9-1-2-9)14(25)22-15(26)23-16/h3-6,9H,1-2,7H2,(H,21,24)(H2,22,23,25,26)/t16-/m0/s1
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n/an/a 5.80E+3n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human MMP2 using Mca-PQGL-(3-[2,4-dinitrophenyl]-L-2,3-diaminopropionyl)-AR-OH as substrate measured after 2 to 4 hrs by fluorescence a...


J Med Chem 59: 5810-22 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00398
BindingDB Entry DOI: 10.7270/Q280563T
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50238243
PNG
(CHEMBL4097165)
Show SMILES FC(F)(F)c1ccc2oc(cc2c1)C(=O)NC[C@]1(NC(=O)NC1=O)C1CC1 |r|
Show InChI InChI=1S/C17H14F3N3O4/c18-17(19,20)10-3-4-11-8(5-10)6-12(27-11)13(24)21-7-16(9-1-2-9)14(25)22-15(26)23-16/h3-6,9H,1-2,7H2,(H,21,24)(H2,22,23,25,26)/t16-/m0/s1
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n/an/a 5.80E+3n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human MMP2 using Mca-PQGL-(3-[2,4-dinitrophenyl]-L-2,3-diaminopropionyl)-AR-OH as substrate measured after 2 to 4 hrs by fluorescence a...


J Med Chem 59: 5810-22 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00398
BindingDB Entry DOI: 10.7270/Q280563T
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14


(Homo sapiens (Human))
BDBM50238243
PNG
(CHEMBL4097165)
Show SMILES FC(F)(F)c1ccc2oc(cc2c1)C(=O)NC[C@]1(NC(=O)NC1=O)C1CC1 |r|
Show InChI InChI=1S/C17H14F3N3O4/c18-17(19,20)10-3-4-11-8(5-10)6-12(27-11)13(24)21-7-16(9-1-2-9)14(25)22-15(26)23-16/h3-6,9H,1-2,7H2,(H,21,24)(H2,22,23,25,26)/t16-/m0/s1
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n/an/a 7.60E+3n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human MMP14 using Mca-PQGL-(3-[2,4-dinitrophenyl]-L-2,3-diaminopropionyl)-AR-OH as substrate measured after 2 to 4 hrs by fluorescence ...


J Med Chem 59: 5810-22 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00398
BindingDB Entry DOI: 10.7270/Q280563T
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14


(Homo sapiens (Human))
BDBM50238243
PNG
(CHEMBL4097165)
Show SMILES FC(F)(F)c1ccc2oc(cc2c1)C(=O)NC[C@]1(NC(=O)NC1=O)C1CC1 |r|
Show InChI InChI=1S/C17H14F3N3O4/c18-17(19,20)10-3-4-11-8(5-10)6-12(27-11)13(24)21-7-16(9-1-2-9)14(25)22-15(26)23-16/h3-6,9H,1-2,7H2,(H,21,24)(H2,22,23,25,26)/t16-/m0/s1
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n/an/a 7.60E+3n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human MMP14 using Mca-PQGL-(3-[2,4-dinitrophenyl]-L-2,3-diaminopropionyl)-AR-OH as substrate measured after 2 to 4 hrs by fluorescence ...


J Med Chem 59: 5810-22 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00398
BindingDB Entry DOI: 10.7270/Q280563T
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50238243
PNG
(CHEMBL4097165)
Show SMILES FC(F)(F)c1ccc2oc(cc2c1)C(=O)NC[C@]1(NC(=O)NC1=O)C1CC1 |r|
Show InChI InChI=1S/C17H14F3N3O4/c18-17(19,20)10-3-4-11-8(5-10)6-12(27-11)13(24)21-7-16(9-1-2-9)14(25)22-15(26)23-16/h3-6,9H,1-2,7H2,(H,21,24)(H2,22,23,25,26)/t16-/m0/s1
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n/an/a 1.60E+4n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human MMP13 using Mca-PQGL-(3-[2,4-dinitrophenyl]-L-2,3-diaminopropionyl)-AR-OH as substrate measured after 2 to 4 hrs by fluorescence ...


J Med Chem 59: 5810-22 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00398
BindingDB Entry DOI: 10.7270/Q280563T
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50238243
PNG
(CHEMBL4097165)
Show SMILES FC(F)(F)c1ccc2oc(cc2c1)C(=O)NC[C@]1(NC(=O)NC1=O)C1CC1 |r|
Show InChI InChI=1S/C17H14F3N3O4/c18-17(19,20)10-3-4-11-8(5-10)6-12(27-11)13(24)21-7-16(9-1-2-9)14(25)22-15(26)23-16/h3-6,9H,1-2,7H2,(H,21,24)(H2,22,23,25,26)/t16-/m0/s1
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n/an/a 1.60E+4n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human MMP13 using Mca-PQGL-(3-[2,4-dinitrophenyl]-L-2,3-diaminopropionyl)-AR-OH as substrate measured after 2 to 4 hrs by fluorescence ...


J Med Chem 59: 5810-22 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00398
BindingDB Entry DOI: 10.7270/Q280563T
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50238243
PNG
(CHEMBL4097165)
Show SMILES FC(F)(F)c1ccc2oc(cc2c1)C(=O)NC[C@]1(NC(=O)NC1=O)C1CC1 |r|
Show InChI InChI=1S/C17H14F3N3O4/c18-17(19,20)10-3-4-11-8(5-10)6-12(27-11)13(24)21-7-16(9-1-2-9)14(25)22-15(26)23-16/h3-6,9H,1-2,7H2,(H,21,24)(H2,22,23,25,26)/t16-/m0/s1
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n/an/a 1.70E+4n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human MMP3 using Mca-PQGL-(3-[2,4-dinitrophenyl]-L-2,3-diaminopropionyl)-AR-OH as substrate measured after 2 to 4 hrs by fluorescence a...


J Med Chem 59: 5810-22 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00398
BindingDB Entry DOI: 10.7270/Q280563T
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50238243
PNG
(CHEMBL4097165)
Show SMILES FC(F)(F)c1ccc2oc(cc2c1)C(=O)NC[C@]1(NC(=O)NC1=O)C1CC1 |r|
Show InChI InChI=1S/C17H14F3N3O4/c18-17(19,20)10-3-4-11-8(5-10)6-12(27-11)13(24)21-7-16(9-1-2-9)14(25)22-15(26)23-16/h3-6,9H,1-2,7H2,(H,21,24)(H2,22,23,25,26)/t16-/m0/s1
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n/an/a 1.70E+4n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human MMP3 using Mca-PQGL-(3-[2,4-dinitrophenyl]-L-2,3-diaminopropionyl)-AR-OH as substrate measured after 2 to 4 hrs by fluorescence a...


J Med Chem 59: 5810-22 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00398
BindingDB Entry DOI: 10.7270/Q280563T
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50238243
PNG
(CHEMBL4097165)
Show SMILES FC(F)(F)c1ccc2oc(cc2c1)C(=O)NC[C@]1(NC(=O)NC1=O)C1CC1 |r|
Show InChI InChI=1S/C17H14F3N3O4/c18-17(19,20)10-3-4-11-8(5-10)6-12(27-11)13(24)21-7-16(9-1-2-9)14(25)22-15(26)23-16/h3-6,9H,1-2,7H2,(H,21,24)(H2,22,23,25,26)/t16-/m0/s1
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n/an/a 1.90E+4n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human MMP9 using Mca-PQGL-(3-[2,4-dinitrophenyl]-L-2,3-diaminopropionyl)-AR-OH as substrate measured after 2 to 4 hrs by fluorescence a...


J Med Chem 59: 5810-22 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00398
BindingDB Entry DOI: 10.7270/Q280563T
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50238243
PNG
(CHEMBL4097165)
Show SMILES FC(F)(F)c1ccc2oc(cc2c1)C(=O)NC[C@]1(NC(=O)NC1=O)C1CC1 |r|
Show InChI InChI=1S/C17H14F3N3O4/c18-17(19,20)10-3-4-11-8(5-10)6-12(27-11)13(24)21-7-16(9-1-2-9)14(25)22-15(26)23-16/h3-6,9H,1-2,7H2,(H,21,24)(H2,22,23,25,26)/t16-/m0/s1
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n/an/a 1.90E+4n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human MMP9 using Mca-PQGL-(3-[2,4-dinitrophenyl]-L-2,3-diaminopropionyl)-AR-OH as substrate measured after 2 to 4 hrs by fluorescence a...


J Med Chem 59: 5810-22 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00398
BindingDB Entry DOI: 10.7270/Q280563T
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50238243
PNG
(CHEMBL4097165)
Show SMILES FC(F)(F)c1ccc2oc(cc2c1)C(=O)NC[C@]1(NC(=O)NC1=O)C1CC1 |r|
Show InChI InChI=1S/C17H14F3N3O4/c18-17(19,20)10-3-4-11-8(5-10)6-12(27-11)13(24)21-7-16(9-1-2-9)14(25)22-15(26)23-16/h3-6,9H,1-2,7H2,(H,21,24)(H2,22,23,25,26)/t16-/m0/s1
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n/an/a 5.00E+4n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human MMP1 using Mca-PQGL-(3-[2,4-dinitrophenyl]-L-2,3-diaminopropionyl)-AR-OH as substrate measured after 2 to 4 hrs by fluorescence a...


J Med Chem 59: 5810-22 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00398
BindingDB Entry DOI: 10.7270/Q280563T
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50238243
PNG
(CHEMBL4097165)
Show SMILES FC(F)(F)c1ccc2oc(cc2c1)C(=O)NC[C@]1(NC(=O)NC1=O)C1CC1 |r|
Show InChI InChI=1S/C17H14F3N3O4/c18-17(19,20)10-3-4-11-8(5-10)6-12(27-11)13(24)21-7-16(9-1-2-9)14(25)22-15(26)23-16/h3-6,9H,1-2,7H2,(H,21,24)(H2,22,23,25,26)/t16-/m0/s1
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n/an/a 5.00E+4n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human MMP1 using Mca-PQGL-(3-[2,4-dinitrophenyl]-L-2,3-diaminopropionyl)-AR-OH as substrate measured after 2 to 4 hrs by fluorescence a...


J Med Chem 59: 5810-22 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00398
BindingDB Entry DOI: 10.7270/Q280563T
More data for this
Ligand-Target Pair
Matrilysin


(Homo sapiens (Human))
BDBM50238243
PNG
(CHEMBL4097165)
Show SMILES FC(F)(F)c1ccc2oc(cc2c1)C(=O)NC[C@]1(NC(=O)NC1=O)C1CC1 |r|
Show InChI InChI=1S/C17H14F3N3O4/c18-17(19,20)10-3-4-11-8(5-10)6-12(27-11)13(24)21-7-16(9-1-2-9)14(25)22-15(26)23-16/h3-6,9H,1-2,7H2,(H,21,24)(H2,22,23,25,26)/t16-/m0/s1
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n/an/a 1.00E+5n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human MMP7 using Mca-PQGL-(3-[2,4-dinitrophenyl]-L-2,3-diaminopropionyl)-AR-OH as substrate measured after 2 to 4 hrs by fluorescence a...


J Med Chem 59: 5810-22 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00398
BindingDB Entry DOI: 10.7270/Q280563T
More data for this
Ligand-Target Pair
Matrilysin


(Homo sapiens (Human))
BDBM50238243
PNG
(CHEMBL4097165)
Show SMILES FC(F)(F)c1ccc2oc(cc2c1)C(=O)NC[C@]1(NC(=O)NC1=O)C1CC1 |r|
Show InChI InChI=1S/C17H14F3N3O4/c18-17(19,20)10-3-4-11-8(5-10)6-12(27-11)13(24)21-7-16(9-1-2-9)14(25)22-15(26)23-16/h3-6,9H,1-2,7H2,(H,21,24)(H2,22,23,25,26)/t16-/m0/s1
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Article
PubMed
n/an/a 1.00E+5n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human MMP7 using Mca-PQGL-(3-[2,4-dinitrophenyl]-L-2,3-diaminopropionyl)-AR-OH as substrate measured after 2 to 4 hrs by fluorescence a...


J Med Chem 59: 5810-22 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00398
BindingDB Entry DOI: 10.7270/Q280563T
More data for this
Ligand-Target Pair