BDBM50132628 (2R,3S)-4-Methanesulfonyl-3-methyl-1-[4-(2-methyl-benzyloxy)-benzenesulfonyl]-piperazine-2-carboxylic acid hydroxyamide::CHEMBL110901
SMILES: C[C@H]1[C@@H](N(CCN1S(C)(=O)=O)S(=O)(=O)c1ccc(OCc2ccccc2C)cc1)C(=O)NO
InChI Key: InChIKey=VSZRGCMKCYLOIV-OXJNMPFZSA-N
Data: 4 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human)) | BDBM50132628 ((2R,3S)-4-Methanesulfonyl-3-methyl-1-[4-(2-methyl-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development Curated by ChEMBL | Assay Description Inhibition of human recombinant tumor necrosis factor-alpha converting enzyme. | Bioorg Med Chem Lett 13: 3243-6 (2003) BindingDB Entry DOI: 10.7270/Q2Q23ZMM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human)) | BDBM50132628 ((2R,3S)-4-Methanesulfonyl-3-methyl-1-[4-(2-methyl-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development Curated by ChEMBL | Assay Description Inhibition of Tumor necrosis factor-alpha (TNF-alpha) release in human whole blood | Bioorg Med Chem Lett 13: 3243-6 (2003) BindingDB Entry DOI: 10.7270/Q2Q23ZMM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Interstitial collagenase (Homo sapiens (Human)) | BDBM50132628 ((2R,3S)-4-Methanesulfonyl-3-methyl-1-[4-(2-methyl-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development Curated by ChEMBL | Assay Description In vitro inhibition of matrix metalloprotease-1. | Bioorg Med Chem Lett 13: 3243-6 (2003) BindingDB Entry DOI: 10.7270/Q2Q23ZMM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Collagenase 3 (Homo sapiens (Human)) | BDBM50132628 ((2R,3S)-4-Methanesulfonyl-3-methyl-1-[4-(2-methyl-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development Curated by ChEMBL | Assay Description In vitro inhibition of matrix metalloprotease-13. | Bioorg Med Chem Lett 13: 3243-6 (2003) BindingDB Entry DOI: 10.7270/Q2Q23ZMM | |||||||||||
More data for this Ligand-Target Pair |