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SMILES: FC(F)(F)c1ccc(C[C@@H](C2CC2)C(=O)NC[C@]2(NC(=O)NC2=O)C2CC2)cc1
InChI Key: InChIKey=JHOUEQAOHDTLPY-KXBFYZLASA-N
| Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| A disintegrin and metalloproteinase with thrombospondin motifs 5 (Homo sapiens (Human)) | BDBM194644 (US9206139, 3) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet  | PC cid PC sid UniChem | US Patent | n/a | n/a | 2 | n/a | n/a | n/a | n/a | 7.5 | 25 |
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 4 (Homo sapiens (Human)) | BDBM194644 (US9206139, 3) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 2 | n/a | n/a | n/a | n/a | 7.5 | 25 |
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 | |||||||||||||
| ADAM metallopeptidase with thrombospondin type 1 motif 4 (Canis lupus familiaris (Dog)) | BDBM194644 (US9206139, 3) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 2 | n/a | n/a | n/a | n/a | 7.5 | 25 |
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 | |||||||||||||
| 72 kDa type IV collagenase (Homo sapiens (Human)) | BDBM194644 (US9206139, 3) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 3.50E+4 | n/a | n/a | n/a | n/a | 7.5 | n/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 | |||||||||||||
| Stromelysin-1 (Homo sapiens (Human)) | BDBM194644 (US9206139, 3) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 9.97E+4 | n/a | n/a | n/a | n/a | 7.5 | n/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 | |||||||||||||
| Matrilysin (Homo sapiens (Human)) | BDBM194644 (US9206139, 3) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | 7.5 | n/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 | |||||||||||||
| Neutrophil collagenase (Homo sapiens (Human)) | BDBM194644 (US9206139, 3) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 804 | n/a | n/a | n/a | n/a | 7.5 | n/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-9 (Homo sapiens (Human)) | BDBM194644 (US9206139, 3) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | 7.5 | n/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 4 (Homo sapiens (Human)) | BDBM194644 (US9206139, 3) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of human recombinant ADAMTS4 using synthetic peptide as substrate by FRET assay | Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02008 BindingDB Entry DOI: 10.7270/Q21R6VBM | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Collagenase 3 (Homo sapiens (Human)) | BDBM194644 (US9206139, 3) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 4.70E+4 | n/a | n/a | n/a | n/a | 7.5 | n/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)) | BDBM194644 (US9206139, 3) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 5.02E+4 | n/a | n/a | n/a | n/a | 7.5 | n/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 4 (Homo sapiens (Human)) | BDBM194644 (US9206139, 3) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company Curated by ChEMBL | Assay Description Inhibition of human ADAMTS4 using VQTVTWPDMELPLPRNITEGEARGSVILTVKPIFEVSPSPLKG peptide as substrate after 3 hrs by Alphascreen 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)) | BDBM194644 (US9206139, 3) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company Curated by ChEMBL | Assay Description In vitro inhibitory activity against S-adenosyl-L-methionine decarboxylase using liver from rat in presence of 1 mM putrescine | 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 | |||||||||||||
| 72 kDa type IV collagenase (Homo sapiens (Human)) | BDBM194644 (US9206139, 3) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 3.50E+4 | n/a | n/a | n/a | n/a | n/a | n/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 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 | |||||||||||||
| Stromelysin-1 (Homo sapiens (Human)) | BDBM194644 (US9206139, 3) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/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 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 | |||||||||||||
| Macrophage metalloelastase (Homo sapiens (Human)) | BDBM194644 (US9206139, 3) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/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 | |||||||||||||
| Collagenase 3 (Homo sapiens (Human)) | BDBM194644 (US9206139, 3) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 4.70E+4 | n/a | n/a | n/a | n/a | n/a | n/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 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 | |||||||||||||
| Matrix metalloproteinase-14 (Homo sapiens (Human)) | BDBM194644 (US9206139, 3) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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 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)) | BDBM194644 (US9206139, 3) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company Curated by ChEMBL | Assay Description Inhibition of human ADAMTS5 using VQTVTWPDMELPLPRNITEGEARGSVILTVKPIFEVSPSPLKG peptide as substrate after 3 hrs by Alphascreen 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)) | BDBM194644 (US9206139, 3) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of human recombinant ADAMTS5 using synthetic peptide as substrate by FRET assay | Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02008 BindingDB Entry DOI: 10.7270/Q21R6VBM | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Interstitial collagenase (Homo sapiens (Human)) | BDBM194644 (US9206139, 3) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 3.92E+4 | n/a | n/a | n/a | n/a | 7.5 | n/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 | |||||||||||||
| ADAM metallopeptidase with thrombospondin type 1 motif 4 (Canis lupus familiaris (Dog)) | BDBM194644 (US9206139, 3) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 101 | n/a | n/a | n/a | n/a | n/a | n/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 | |||||||||||||
| ADAM metallopeptidase with thrombospondin type 1 motif, 5 (Rattus norvegicus (Rat)) | BDBM194644 (US9206139, 3) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/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 | |||||||||||||
| Macrophage metalloelastase (Homo sapiens (Human)) | BDBM194644 (US9206139, 3) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 268 | n/a | n/a | n/a | n/a | 7.5 | n/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 | |||||||||||||
