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Compile Data Set for Download or QSAR

Found 21 hits of ic50 for monomerid = 194638   
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 (ADAMTS-5)


(Homo sapiens (Human))
BDBM194638
PNG
(US9206139, 1)
Show SMILES C[C@H](Cc1ccc(cc1)C(F)(F)F)C(=O)NC[C@]1(NC(=O)NC1=O)C1CC1 |r|
Show InChI InChI=1/C18H20F3N3O3/c1-10(8-11-2-4-13(5-3-11)18(19,20)21)14(25)22-9-17(12-6-7-12)15(26)23-16(27)24-17/h2-5,10,12H,6-9H2,1H3,(H,22,25)(H2,23,24,26,27)/t10-,17+/s2
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n/an/a 1n/an/an/an/a7.525



Eli Lilly and Company

US Patent


Assay Description
The compounds of the present invention can be evaluated by using an aggrecanase ADAMTS-4 and ADAMTS-5 AlphaScreen assay (Miller J. A., et al. Anal. B...


US Patent US9206139 (2015)


BindingDB Entry DOI: 10.7270/Q25X27R0
More data for this
Ligand-Target Pair
Metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Canis lupus familiaris (Dog))
BDBM194638
PNG
(US9206139, 1)
Show SMILES C[C@H](Cc1ccc(cc1)C(F)(F)F)C(=O)NC[C@]1(NC(=O)NC1=O)C1CC1 |r|
Show InChI InChI=1/C18H20F3N3O3/c1-10(8-11-2-4-13(5-3-11)18(19,20)21)14(25)22-9-17(12-6-7-12)15(26)23-16(27)24-17/h2-5,10,12H,6-9H2,1H3,(H,22,25)(H2,23,24,26,27)/t10-,17+/s2
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n/an/a 1n/an/an/an/a7.525



Eli Lilly and Company

US Patent


Assay Description
The compounds of the present invention can be evaluated by using an aggrecanase ADAMTS-4 and ADAMTS-5 AlphaScreen assay (Miller J. A., et al. Anal. B...


US Patent US9206139 (2015)


BindingDB Entry DOI: 10.7270/Q25X27R0
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM194638
PNG
(US9206139, 1)
Show SMILES C[C@H](Cc1ccc(cc1)C(F)(F)F)C(=O)NC[C@]1(NC(=O)NC1=O)C1CC1 |r|
Show InChI InChI=1/C18H20F3N3O3/c1-10(8-11-2-4-13(5-3-11)18(19,20)21)14(25)22-9-17(12-6-7-12)15(26)23-16(27)24-17/h2-5,10,12H,6-9H2,1H3,(H,22,25)(H2,23,24,26,27)/t10-,17+/s2
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Eli Lilly and Company

Curated by ChEMBL




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 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM194638
PNG
(US9206139, 1)
Show SMILES C[C@H](Cc1ccc(cc1)C(F)(F)F)C(=O)NC[C@]1(NC(=O)NC1=O)C1CC1 |r|
Show InChI InChI=1/C18H20F3N3O3/c1-10(8-11-2-4-13(5-3-11)18(19,20)21)14(25)22-9-17(12-6-7-12)15(26)23-16(27)24-17/h2-5,10,12H,6-9H2,1H3,(H,22,25)(H2,23,24,26,27)/t10-,17+/s2
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n/an/a 1n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL




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 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM194638
PNG
(US9206139, 1)
Show SMILES C[C@H](Cc1ccc(cc1)C(F)(F)F)C(=O)NC[C@]1(NC(=O)NC1=O)C1CC1 |r|
Show InChI InChI=1/C18H20F3N3O3/c1-10(8-11-2-4-13(5-3-11)18(19,20)21)14(25)22-9-17(12-6-7-12)15(26)23-16(27)24-17/h2-5,10,12H,6-9H2,1H3,(H,22,25)(H2,23,24,26,27)/t10-,17+/s2
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n/an/a 2n/an/an/an/a7.525



Eli Lilly and Company

US Patent


Assay Description
The compounds of the present invention can be evaluated by using an aggrecanase ADAMTS-4 and ADAMTS-5 AlphaScreen assay (Miller J. A., et al. Anal. B...


US Patent US9206139 (2015)


BindingDB Entry DOI: 10.7270/Q25X27R0
More data for this
Ligand-Target Pair
Matrix metalloproteinase 12


(Homo sapiens (Human))
BDBM194638
PNG
(US9206139, 1)
Show SMILES C[C@H](Cc1ccc(cc1)C(F)(F)F)C(=O)NC[C@]1(NC(=O)NC1=O)C1CC1 |r|
Show InChI InChI=1/C18H20F3N3O3/c1-10(8-11-2-4-13(5-3-11)18(19,20)21)14(25)22-9-17(12-6-7-12)15(26)23-16(27)24-17/h2-5,10,12H,6-9H2,1H3,(H,22,25)(H2,23,24,26,27)/t10-,17+/s2
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n/an/a 9n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL




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
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM194638
PNG
(US9206139, 1)
Show SMILES C[C@H](Cc1ccc(cc1)C(F)(F)F)C(=O)NC[C@]1(NC(=O)NC1=O)C1CC1 |r|
Show InChI InChI=1/C18H20F3N3O3/c1-10(8-11-2-4-13(5-3-11)18(19,20)21)14(25)22-9-17(12-6-7-12)15(26)23-16(27)24-17/h2-5,10,12H,6-9H2,1H3,(H,22,25)(H2,23,24,26,27)/t10-,17+/s2
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n/an/a 9n/an/an/an/a7.5n/a



Eli Lilly and Company

US Patent


Assay Description
A continuous assay is used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin, Mca), which is quenched b...


US Patent US9206139 (2015)


BindingDB Entry DOI: 10.7270/Q25X27R0
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM194638
PNG
(US9206139, 1)
Show SMILES C[C@H](Cc1ccc(cc1)C(F)(F)F)C(=O)NC[C@]1(NC(=O)NC1=O)C1CC1 |r|
Show InChI InChI=1/C18H20F3N3O3/c1-10(8-11-2-4-13(5-3-11)18(19,20)21)14(25)22-9-17(12-6-7-12)15(26)23-16(27)24-17/h2-5,10,12H,6-9H2,1H3,(H,22,25)(H2,23,24,26,27)/t10-,17+/s2
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n/an/a 15n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL




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
Metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Rattus norvegicus (Rat))
BDBM194638
PNG
(US9206139, 1)
Show SMILES C[C@H](Cc1ccc(cc1)C(F)(F)F)C(=O)NC[C@]1(NC(=O)NC1=O)C1CC1 |r|
Show InChI InChI=1/C18H20F3N3O3/c1-10(8-11-2-4-13(5-3-11)18(19,20)21)14(25)22-9-17(12-6-7-12)15(26)23-16(27)24-17/h2-5,10,12H,6-9H2,1H3,(H,22,25)(H2,23,24,26,27)/t10-,17+/s2
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n/an/a 15n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
The AlphaScreen Assay is modified to include the testing of inhibitors against ADAMTS-5 in the presence of 50% Lewis rat plasma in order to determine...


US Patent US9206139 (2015)


BindingDB Entry DOI: 10.7270/Q25X27R0
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM194638
PNG
(US9206139, 1)
Show SMILES C[C@H](Cc1ccc(cc1)C(F)(F)F)C(=O)NC[C@]1(NC(=O)NC1=O)C1CC1 |r|
Show InChI InChI=1/C18H20F3N3O3/c1-10(8-11-2-4-13(5-3-11)18(19,20)21)14(25)22-9-17(12-6-7-12)15(26)23-16(27)24-17/h2-5,10,12H,6-9H2,1H3,(H,22,25)(H2,23,24,26,27)/t10-,17+/s2
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n/an/a 17.9n/an/an/an/a7.5n/a



Eli Lilly and Company

US Patent


Assay Description
A continuous assay is used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin, Mca), which is quenched b...


US Patent US9206139 (2015)


BindingDB Entry DOI: 10.7270/Q25X27R0
More data for this
Ligand-Target Pair
Metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Canis lupus familiaris (Dog))
BDBM194638
PNG
(US9206139, 1)
Show SMILES C[C@H](Cc1ccc(cc1)C(F)(F)F)C(=O)NC[C@]1(NC(=O)NC1=O)C1CC1 |r|
Show InChI InChI=1/C18H20F3N3O3/c1-10(8-11-2-4-13(5-3-11)18(19,20)21)14(25)22-9-17(12-6-7-12)15(26)23-16(27)24-17/h2-5,10,12H,6-9H2,1H3,(H,22,25)(H2,23,24,26,27)/t10-,17+/s2
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n/an/a 183n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
The AlphaScreen Assay is modified to include the testing of inhibitors against ADAMTS-5 in the presence of 50% Lewis rat plasma in order to determine...


US Patent US9206139 (2015)


BindingDB Entry DOI: 10.7270/Q25X27R0
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM194638
PNG
(US9206139, 1)
Show SMILES C[C@H](Cc1ccc(cc1)C(F)(F)F)C(=O)NC[C@]1(NC(=O)NC1=O)C1CC1 |r|
Show InChI InChI=1/C18H20F3N3O3/c1-10(8-11-2-4-13(5-3-11)18(19,20)21)14(25)22-9-17(12-6-7-12)15(26)23-16(27)24-17/h2-5,10,12H,6-9H2,1H3,(H,22,25)(H2,23,24,26,27)/t10-,17+/s2
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n/an/a 1.10E+3n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL




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
Collagenase 3


(Homo sapiens (Human))
BDBM194638
PNG
(US9206139, 1)
Show SMILES C[C@H](Cc1ccc(cc1)C(F)(F)F)C(=O)NC[C@]1(NC(=O)NC1=O)C1CC1 |r|
Show InChI InChI=1/C18H20F3N3O3/c1-10(8-11-2-4-13(5-3-11)18(19,20)21)14(25)22-9-17(12-6-7-12)15(26)23-16(27)24-17/h2-5,10,12H,6-9H2,1H3,(H,22,25)(H2,23,24,26,27)/t10-,17+/s2
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n/an/a 1.11E+3n/an/an/an/a7.5n/a



Eli Lilly and Company

US Patent


Assay Description
A continuous assay is used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin, Mca), which is quenched b...


US Patent US9206139 (2015)


BindingDB Entry DOI: 10.7270/Q25X27R0
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM194638
PNG
(US9206139, 1)
Show SMILES C[C@H](Cc1ccc(cc1)C(F)(F)F)C(=O)NC[C@]1(NC(=O)NC1=O)C1CC1 |r|
Show InChI InChI=1/C18H20F3N3O3/c1-10(8-11-2-4-13(5-3-11)18(19,20)21)14(25)22-9-17(12-6-7-12)15(26)23-16(27)24-17/h2-5,10,12H,6-9H2,1H3,(H,22,25)(H2,23,24,26,27)/t10-,17+/s2
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n/an/a 1.75E+3n/an/an/an/a7.5n/a



Eli Lilly and Company

US Patent


Assay Description
A continuous assay is used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin, Mca), which is quenched b...


US Patent US9206139 (2015)


BindingDB Entry DOI: 10.7270/Q25X27R0
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM194638
PNG
(US9206139, 1)
Show SMILES C[C@H](Cc1ccc(cc1)C(F)(F)F)C(=O)NC[C@]1(NC(=O)NC1=O)C1CC1 |r|
Show InChI InChI=1/C18H20F3N3O3/c1-10(8-11-2-4-13(5-3-11)18(19,20)21)14(25)22-9-17(12-6-7-12)15(26)23-16(27)24-17/h2-5,10,12H,6-9H2,1H3,(H,22,25)(H2,23,24,26,27)/t10-,17+/s2
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n/an/a 1.80E+3n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL




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
Matrix metalloproteinase (2 and 3)


(Homo sapiens (Human))
BDBM194638
PNG
(US9206139, 1)
Show SMILES C[C@H](Cc1ccc(cc1)C(F)(F)F)C(=O)NC[C@]1(NC(=O)NC1=O)C1CC1 |r|
Show InChI InChI=1/C18H20F3N3O3/c1-10(8-11-2-4-13(5-3-11)18(19,20)21)14(25)22-9-17(12-6-7-12)15(26)23-16(27)24-17/h2-5,10,12H,6-9H2,1H3,(H,22,25)(H2,23,24,26,27)/t10-,17+/s2
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n/an/a 2.80E+3n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL




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
Stromelysin-1


(Homo sapiens (Human))
BDBM194638
PNG
(US9206139, 1)
Show SMILES C[C@H](Cc1ccc(cc1)C(F)(F)F)C(=O)NC[C@]1(NC(=O)NC1=O)C1CC1 |r|
Show InChI InChI=1/C18H20F3N3O3/c1-10(8-11-2-4-13(5-3-11)18(19,20)21)14(25)22-9-17(12-6-7-12)15(26)23-16(27)24-17/h2-5,10,12H,6-9H2,1H3,(H,22,25)(H2,23,24,26,27)/t10-,17+/s2
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n/an/a 2.85E+3n/an/an/an/a7.5n/a



Eli Lilly and Company

US Patent


Assay Description
A continuous assay is used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin, Mca), which is quenched b...


US Patent US9206139 (2015)


BindingDB Entry DOI: 10.7270/Q25X27R0
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM194638
PNG
(US9206139, 1)
Show SMILES C[C@H](Cc1ccc(cc1)C(F)(F)F)C(=O)NC[C@]1(NC(=O)NC1=O)C1CC1 |r|
Show InChI InChI=1/C18H20F3N3O3/c1-10(8-11-2-4-13(5-3-11)18(19,20)21)14(25)22-9-17(12-6-7-12)15(26)23-16(27)24-17/h2-5,10,12H,6-9H2,1H3,(H,22,25)(H2,23,24,26,27)/t10-,17+/s2
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n/an/a 3.89E+3n/an/an/an/a7.5n/a



Eli Lilly and Company

US Patent


Assay Description
A continuous assay is used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin, Mca), which is quenched b...


US Patent US9206139 (2015)


BindingDB Entry DOI: 10.7270/Q25X27R0
More data for this
Ligand-Target Pair
Matrix metalloproteinase 14


(Homo sapiens (Human))
BDBM194638
PNG
(US9206139, 1)
Show SMILES C[C@H](Cc1ccc(cc1)C(F)(F)F)C(=O)NC[C@]1(NC(=O)NC1=O)C1CC1 |r|
Show InChI InChI=1/C18H20F3N3O3/c1-10(8-11-2-4-13(5-3-11)18(19,20)21)14(25)22-9-17(12-6-7-12)15(26)23-16(27)24-17/h2-5,10,12H,6-9H2,1H3,(H,22,25)(H2,23,24,26,27)/t10-,17+/s2
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n/an/a 3.90E+3n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL




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
Collagenase


(Homo sapiens (Human))
BDBM194638
PNG
(US9206139, 1)
Show SMILES C[C@H](Cc1ccc(cc1)C(F)(F)F)C(=O)NC[C@]1(NC(=O)NC1=O)C1CC1 |r|
Show InChI InChI=1/C18H20F3N3O3/c1-10(8-11-2-4-13(5-3-11)18(19,20)21)14(25)22-9-17(12-6-7-12)15(26)23-16(27)24-17/h2-5,10,12H,6-9H2,1H3,(H,22,25)(H2,23,24,26,27)/t10-,17+/s2
PDB
MMDB

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UniProtKB/SwissProt

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DrugBank
antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 1.20E+4n/an/an/an/a7.5n/a



Eli Lilly and Company

US Patent


Assay Description
A continuous assay is used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin, Mca), which is quenched b...


US Patent US9206139 (2015)


BindingDB Entry DOI: 10.7270/Q25X27R0
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM194638
PNG
(US9206139, 1)
Show SMILES C[C@H](Cc1ccc(cc1)C(F)(F)F)C(=O)NC[C@]1(NC(=O)NC1=O)C1CC1 |r|
Show InChI InChI=1/C18H20F3N3O3/c1-10(8-11-2-4-13(5-3-11)18(19,20)21)14(25)22-9-17(12-6-7-12)15(26)23-16(27)24-17/h2-5,10,12H,6-9H2,1H3,(H,22,25)(H2,23,24,26,27)/t10-,17+/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+5n/an/an/an/a7.5n/a



Eli Lilly and Company

US Patent


Assay Description
A continuous assay is used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin, Mca), which is quenched b...


US Patent US9206139 (2015)


BindingDB Entry DOI: 10.7270/Q25X27R0
More data for this
Ligand-Target Pair