BDBM46022 1-(3,4-dihydroxyphenyl)-2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylethanone::1-(3,4-dihydroxyphenyl)-2-[[1-(4-fluorophenyl)-5-tetrazolyl]thio]ethanone::1-(3,4-dihydroxyphenyl)-2-[[1-(4-fluorophenyl)tetrazol-5-yl]thio]ethanone::1-[3,4-bis(oxidanyl)phenyl]-2-[[1-(4-fluorophenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanone::MLS-0238024.0001::cid_713665
SMILES: Oc1ccc(cc1O)C(=O)CSc1nnnn1-c1ccc(F)cc1
InChI Key: InChIKey=NRRQKDJQQPTFNZ-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Alkaline phosphatase, tissue-nonspecific isozyme (Homo sapiens (Human)) | BDBM46022 (1-(3,4-dihydroxyphenyl)-2-[1-(4-fluorophenyl)tetra...) | KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 5.98E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2CR5RRG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase JAK2 (Homo sapiens (Human)) | BDBM46022 (1-(3,4-dihydroxyphenyl)-2-[1-(4-fluorophenyl)tetra...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 1.11E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q20863Q9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alkaline phosphatase placental-like (Homo sapiens (Human)) | BDBM46022 (1-(3,4-dihydroxyphenyl)-2-[1-(4-fluorophenyl)tetra...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 1.89E+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 (2009) BindingDB Entry DOI: 10.7270/Q29S1PG8 | |||||||||||
More data for this Ligand-Target Pair |