BDBM50077158 (R)-2-[5-(4-Butyl-phenylethynyl)-thiophene-2-sulfonylamino]-3-methyl-butyric acid::CHEMBL50445
SMILES: CCCCc1ccc(cc1)C#Cc1ccc(s1)S(=O)(=O)N[C@H](C(C)C)C(O)=O
InChI Key: InChIKey=CBAVXLBMIZUDPK-HXUWFJFHSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
72 kDa type IV collagenase (Homo sapiens (Human)) | BDBM50077158 ((R)-2-[5-(4-Butyl-phenylethynyl)-thiophene-2-sulfo...) | 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 | 5.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Company, Ltd. Curated by ChEMBL | Assay Description Inhibitory activity against Matrix metalloproteinase-2 (concentration required for 50% inhibition of enzyme activity) | J Med Chem 42: 1723-38 (1999) Article DOI: 10.1021/jm980514x BindingDB Entry DOI: 10.7270/Q2KP81BQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Matrix metalloproteinase-9 (Homo sapiens (Human)) | BDBM50077158 ((R)-2-[5-(4-Butyl-phenylethynyl)-thiophene-2-sulfo...) | 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 | 210 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Company, Ltd. Curated by ChEMBL | Assay Description Inhibitory activity against Matrix metalloproteinase-9 (concentration required for 50% inhibition of enzyme activity) | J Med Chem 42: 1723-38 (1999) Article DOI: 10.1021/jm980514x BindingDB Entry DOI: 10.7270/Q2KP81BQ | |||||||||||
More data for this Ligand-Target Pair |