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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterases' and Ligand = 'BDBM226178'   
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
Cholinesterases


(Homo sapiens (Human))
BDBM226178
PNG
(Agriflavone (2))
Show SMILES COC(=O)[C@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(cc3=O)-c2ccc(O)cc2)C(O[C@@H]2OC(CO)[C@@H](O)C(O)[C@@H]2O)[C@H]1O
Show InChI InChI=1/C27H28O15/c1-37-25(36)23-22(35)24(42-26-21(34)20(33)19(32)17(9-28)40-26)27(41-23)38-12-6-13(30)18-14(31)8-15(39-16(18)7-12)10-2-4-11(29)5-3-10/h2-8,17,19-24,26-30,32-35H,9H2,1H3/t17?,19-,20?,21+,22+,23+,24?,26+,27-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
n/an/a 6.34E+4n/an/an/an/a8.025



Catholic University of Daegu



Assay Description
Briefly, 140 μL of sodium phosphate buffer (pH 8.0), 20 μL of each tested compound with different concentrations (4, 20, and 100 μM) a...


Bioorg Chem 72: 293-300 (2017)


BindingDB Entry DOI: 10.7270/Q2Q52NH6
More data for this
Ligand-Target Pair