BDBM50282865 2-Chloromethyl-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[d]isothiazol-3-one::CHEMBL299784::PD120339
SMILES: ClCN1C(=O)c2ccccc2S1(=O)=O
InChI Key: InChIKey=RFAHYFCQZDZXLP-UHFFFAOYSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Leukocyte elastase (Homo sapiens (Human)) | BDBM50282865 (2-Chloromethyl-1,1-dioxo-1,2-dihydro-1lambda*6*-be...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents | Article | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Potency of Inhibition of human leukocyte elastase (HLE) expressed as apparent binding constant | Bioorg Med Chem Lett 4: 1801-1806 (1994) Article DOI: 10.1016/S0960-894X(01)80374-7 BindingDB Entry DOI: 10.7270/Q25M65PP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Replicase polyprotein 1ab (2019-nCoV) | BDBM50282865 (2-Chloromethyl-1,1-dioxo-1,2-dihydro-1lambda*6*-be...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents | Article | n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Fraunhofer Institute for Translational Medicine and Pharmacology (ITMP) and Fraunhofer Cluster of Excellence for Immune mediated diseases (CIMD) | Assay Description Primary assay principle based on quenched FRET peptide substrate of SARS-CoV-2 3CL-Pro (lhs). Inhibiting compounds reduce fluorescence signal relativ... | bioRxiv 2020: (2020) Article DOI: 10.1101/2020.12.16.422677 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Replicase polyprotein 1ab (2019-nCoV) | BDBM50282865 (2-Chloromethyl-1,1-dioxo-1,2-dihydro-1lambda*6*-be...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents | Article | n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Fraunhofer Institute for Translational Medicine and Pharmacology (ITMP) and Fraunhofer Cluster of Excellence for Immune mediated diseases (CIMD) | Assay Description Primary assay principle based on quenched FRET peptide substrate of SARS-CoV-2 3CL-Pro (lhs). Inhibiting compounds reduce fluorescence signal relativ... | bioRxiv 2020: (2020) Article DOI: 10.1101/2020.12.16.422677 | |||||||||||
More data for this Ligand-Target Pair |