BDBM50239954 CHEMBL4080520
SMILES: CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)c(F)c1)C(C)C
InChI Key: InChIKey=NWCGLZSPRJCLHZ-NRFANRHFSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Collagenase 3 (Homo sapiens (Human)) | BDBM50239954 (CHEMBL4080520) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |||||||||||||
72 kDa type IV collagenase (Homo sapiens (Human)) | BDBM50239954 (CHEMBL4080520) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Graz University of Technology Curated by ChEMBL | Assay Description Inhibition of recombinant human MMP2 using fTHP-15 as substrate preincubated for 30 mins followed by substrate addition by fluorescence assay | Bioorg Med Chem 26: 4984-4995 (2018) Article DOI: 10.1016/j.bmc.2018.08.020 BindingDB Entry DOI: 10.7270/Q25141SR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Stromelysin-1 (Homo sapiens (Human)) | BDBM50239954 (CHEMBL4080520) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4.40E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |||||||||||||
Matrix metalloproteinase 12 (Homo sapiens (Human)) | BDBM50239954 (CHEMBL4080520) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50239954 (CHEMBL4080520) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/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 | |||||||||||||
72 kDa type IV collagenase (Homo sapiens (Human)) | BDBM50239954 (CHEMBL4080520) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50239954 (CHEMBL4080520) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |||||||||||||
Matrix metalloproteinase-9 (Homo sapiens (Human)) | BDBM50239954 (CHEMBL4080520) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |||||||||||||
Interstitial collagenase (Homo sapiens (Human)) | BDBM50239954 (CHEMBL4080520) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |||||||||||||
Matrix metalloproteinase 14 (Homo sapiens (Human)) | BDBM50239954 (CHEMBL4080520) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Graz University of Technology Curated by ChEMBL | Assay Description Inhibition of recombinant human MMP14 expressed in Escherichia coli using fTHP-15 as substrate preincubated for 30 mins followed by substrate additio... | Bioorg Med Chem 26: 4984-4995 (2018) Article DOI: 10.1016/j.bmc.2018.08.020 BindingDB Entry DOI: 10.7270/Q25141SR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neutrophil collagenase (Homo sapiens (Human)) | BDBM50239954 (CHEMBL4080520) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Graz University of Technology Curated by ChEMBL | Assay Description Inhibition of recombinant human MMP8 expressed in mouse NS0 cells using Knight substrate preincubated for 30 mins followed by substrate addition by f... | Bioorg Med Chem 26: 4984-4995 (2018) Article DOI: 10.1016/j.bmc.2018.08.020 BindingDB Entry DOI: 10.7270/Q25141SR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Matrix metalloproteinase-9 (Homo sapiens (Human)) | BDBM50239954 (CHEMBL4080520) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Graz University of Technology Curated by ChEMBL | Assay Description Inhibition of recombinant human MMP9 using fTHP-15 as substrate preincubated for 30 mins followed by substrate addition by fluorescence assay | Bioorg Med Chem 26: 4984-4995 (2018) Article DOI: 10.1016/j.bmc.2018.08.020 BindingDB Entry DOI: 10.7270/Q25141SR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Matrix metalloproteinase (2 and 3) (Homo sapiens (Human)) | BDBM50239954 (CHEMBL4080520) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Graz University of Technology Curated by ChEMBL | Assay Description Inhibition of MMP3 (unknown origin) | Bioorg Med Chem 26: 4984-4995 (2018) Article DOI: 10.1016/j.bmc.2018.08.020 BindingDB Entry DOI: 10.7270/Q25141SR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Matrix metalloproteinase 12 (Homo sapiens (Human)) | BDBM50239954 (CHEMBL4080520) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Graz University of Technology Curated by ChEMBL | Assay Description Inhibition of MMP12 (unknown origin) | Bioorg Med Chem 26: 4984-4995 (2018) Article DOI: 10.1016/j.bmc.2018.08.020 BindingDB Entry DOI: 10.7270/Q25141SR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Interstitial collagenase (Homo sapiens (Human)) | BDBM50239954 (CHEMBL4080520) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Graz University of Technology Curated by ChEMBL | Assay Description Inhibition of recombinant human MMP1 expressed in mouse NS0 cells using Knight substrate preincubated for 30 mins followed by substrate addition by f... | Bioorg Med Chem 26: 4984-4995 (2018) Article DOI: 10.1016/j.bmc.2018.08.020 BindingDB Entry DOI: 10.7270/Q25141SR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Collagenase 3 (Homo sapiens (Human)) | BDBM50239954 (CHEMBL4080520) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Graz University of Technology Curated by ChEMBL | Assay Description Inhibition of recombinant human full length MMP13 expressed in mouse NS0 cells using fTHP-15 as substrate preincubated for 30 mins followed by substr... | Bioorg Med Chem 26: 4984-4995 (2018) Article DOI: 10.1016/j.bmc.2018.08.020 BindingDB Entry DOI: 10.7270/Q25141SR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Matrix metalloproteinase 14 (Homo sapiens (Human)) | BDBM50239954 (CHEMBL4080520) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
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 | |||||||||||||
Collagenase 3 (Homo sapiens (Human)) | BDBM50239954 (CHEMBL4080520) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 8.10 | n/a | n/a | n/a | n/a | n/a | n/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 |