BDBM46619 2-(3-chloranyl-2-methyl-phenyl)-6-nitro-4-[2,2,2-tris(fluoranyl)ethoxy]-1,2-benzothiazol-3-one::2-(3-chloro-2-methyl-phenyl)-6-nitro-4-(2,2,2-trifluoroethoxy)-1,2-benzothiazol-3-one::2-(3-chloro-2-methylphenyl)-6-nitro-4-(2,2,2-trifluoroethoxy)-1,2-benzothiazol-3-one::MLS-0315770.0001::cid_1510390
SMILES: Cc1c(Cl)cccc1-n1sc2cc(cc(OCC(F)(F)F)c2c1=O)[N+]([O-])=O
InChI Key: InChIKey=DXDXEHZMRORZAQ-UHFFFAOYSA-N
Data: 3 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
phosphomannomutase 2 (Homo sapiens (Human)) | BDBM46619 (2-(3-chloranyl-2-methyl-phenyl)-6-nitro-4-[2,2,2-t...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 9.06E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2CJ8BWC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
MPI protein (Homo sapiens (Human)) | BDBM46619 (2-(3-chloranyl-2-methyl-phenyl)-6-nitro-4-[2,2,2-t...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 3.03E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2J964TC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
phosphatase, orphan 1 (Homo sapiens (Human)) | BDBM46619 (2-(3-chloranyl-2-methyl-phenyl)-6-nitro-4-[2,2,2-t...) | KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 555 | n/a | n/a | n/a | n/a | n/a | n/a |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q27S7M52 | |||||||||||
More data for this Ligand-Target Pair |