BDBM50170300 (S)-3-Methyl-2-{4'-[(5-nitro-benzofuran-2-carbonyl)-amino]-biphenyl-4-sulfonylamino}-butyric acid::CHEMBL365923
SMILES: CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2cc3cc(ccc3o2)[N+]([O-])=O)cc1)C(O)=O
InChI Key: InChIKey=ZRKRXBQAESAFIY-DEOSSOPVSA-N
Data: 2 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Matrix metalloproteinase 13 (Bos taurus) | BDBM50170300 ((S)-3-Methyl-2-{4'-[(5-nitro-benzofuran-2-carbonyl...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research Curated by ChEMBL | Assay Description Inhibitory concentration against MMP-13 of bovine articular cartilage explants | Bioorg Med Chem Lett 15: 4105-9 (2005) Article DOI: 10.1016/j.bmcl.2005.06.019 BindingDB Entry DOI: 10.7270/Q2TX3DXK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
72 kDa type IV collagenase (Homo sapiens (Human)) | BDBM50170300 ((S)-3-Methyl-2-{4'-[(5-nitro-benzofuran-2-carbonyl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research Curated by ChEMBL | Assay Description Inhibitory concentration against MMP-2 | Bioorg Med Chem Lett 15: 4105-9 (2005) Article DOI: 10.1016/j.bmcl.2005.06.019 BindingDB Entry DOI: 10.7270/Q2TX3DXK | |||||||||||
More data for this Ligand-Target Pair |