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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for drug = Aldoclor-250   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM39351
PNG
(CHLOROTHIAZIDE | MLS000028398 | SMR000058429 | US1...)
Show SMILES NS(=O)(=O)c1cc2c(cc1Cl)N=CNS2(=O)=O |c:12|
Show InChI InChI=1S/C7H6ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-3H,(H,10,11)(H2,9,12,13)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
KEGG
PC cid
PC sid
UniChem

Patents

US Patent
n/an/a 460n/an/an/an/an/an/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
Genome polyprotein


(West Nile virus)
BDBM39351
PNG
(CHLOROTHIAZIDE | MLS000028398 | SMR000058429 | US1...)
Show SMILES NS(=O)(=O)c1cc2c(cc1Cl)N=CNS2(=O)=O |c:12|
Show InChI InChI=1S/C7H6ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-3H,(H,10,11)(H2,9,12,13)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

MCE
KEGG
PC cid
PC sid
UniChem

Patents

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/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