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BDBM222293 4-(Benzo[d][1,3]dioxol-5-yl)-2-(2-(3,4-dimethoxyphenethylamine)-2-oxoethyl)-6-phenyl-pyridazin-3(2H)-one (11)

SMILES: COc1ccc(CCNC(=O)Cn2nc(cc(-c3ccc4OCOc4c3)c2=O)-c2ccccc2)cc1OC

InChI Key: InChIKey=WENCUNUBUITYAU-UHFFFAOYSA-N

Data: 1 Kd

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 222293   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cyclooxygenase


(Homo sapiens (Human))
BDBM222293
PNG
(4-(Benzo[d][1,3]dioxol-5-yl)-2-(2-(3,4-dimethoxyph...)
Show SMILES COc1ccc(CCNC(=O)Cn2nc(cc(-c3ccc4OCOc4c3)c2=O)-c2ccccc2)cc1OC
Show InChI InChI=1S/C29H27N3O6/c1-35-24-10-8-19(14-26(24)36-2)12-13-30-28(33)17-32-29(34)22(16-23(31-32)20-6-4-3-5-7-20)21-9-11-25-27(15-21)38-18-37-25/h3-11,14-16H,12-13,17-18H2,1-2H3,(H,30,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 14.0n/an/an/an/an/a



Panjab University



Assay Description
Inhibitory activity of the synthesized compounds on COX-1 and COX-2 enzymes were evaluated at 40 μm using the COX Inhibitor Screening Assay Kit ...


Bioorg Chem 71: 201-210 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.006
BindingDB Entry DOI: 10.7270/Q25T3JBP
More data for this
Ligand-Target Pair