BDBM39351 CHLOROTHIAZIDE::MLS000028398::SMR000058429::US10172837, Chlorothiazide::cid_2720
SMILES: NS(=O)(=O)c1cc2c(cc1Cl)N=CNS2(=O)=O
InChI Key: InChIKey=JBMKAUGHUNFTOL-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Genome polyprotein (West Nile virus) | BDBM39351 (CHLOROTHIAZIDE | MLS000028398 | SMR000058429 | US1...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase KEGG PC cid PC sid UniChem Patents | PCBioAssay | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh Molecular Library Screening Center Curated by PubChem BioAssay | Assay Description The HTS assay to identify Inhibitors of West Nile Virus (WNV) NS2bNS3 Proteinase was proposed by Dr Alex Strongin of the Burnham Institute XO1-MH0776... | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2222S6W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM39351 (CHLOROTHIAZIDE | MLS000028398 | SMR000058429 | US1...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase KEGG PC cid PC sid UniChem Patents | US Patent | n/a | n/a | 460 | n/a | n/a | n/a | n/a | n/a | n/a |
Naia Metabolic, Inc. US Patent | Assay Description Compounds which are CAIs are well known in the art, see for example, Pastorekova et al, Journal of Enzyme Inhibition and Medicinal Chemistry, 19(3), ... | US Patent US10172837 (2019) BindingDB Entry DOI: 10.7270/Q2VT1V5M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
LANA (Human herpesvirus 8) | BDBM39351 (CHLOROTHIAZIDE | MLS000028398 | SMR000058429 | US1...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase KEGG PC cid PC sid UniChem Patents | PCBioAssay | n/a | n/a | n/a | n/a | >7.50E+4 | n/a | n/a | n/a | n/a |
Broad Institute Curated by PubChem BioAssay | Assay Description Primary Collaborators: Kenneth Kaye,Brigham & Womens,Boston MA,kkaye@rics.bwh.harvard.edu,617-525-4256 Chantal Beauchemin,Brigham & Womens,Boston MA,... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2HH6HHN | |||||||||||
More data for this Ligand-Target Pair |