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BDBM167904 N,N-diethylcarbamic acid-4-(5,6,7-trihydroxy-4-oxo-4H-1-benzopyran-2-yl)phenyl ester (7b)

SMILES: CCN(CC)C(=O)Oc1ccc(cc1)-c1cc(=O)c2c(O)c(O)c(O)cc2o1

InChI Key: InChIKey=QGTBKSTUWGAYSX-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 167904   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Carboxylic ester hydrolase


(Rattus norvegicus (rat))
BDBM167904
PNG
(N,N-diethylcarbamic acid-4-(5,6,7-trihydroxy-4-oxo...)
Show SMILES CCN(CC)C(=O)Oc1ccc(cc1)-c1cc(=O)c2c(O)c(O)c(O)cc2o1
Show InChI InChI=1S/C20H19NO7/c1-3-21(4-2)20(26)27-12-7-5-11(6-8-12)15-9-13(22)17-16(28-15)10-14(23)18(24)19(17)25/h5-10,23-25H,3-4H2,1-2H3
Reactome pathway
KEGG

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.21E+4n/an/an/an/an/an/a



Sichuan University



Assay Description
For rat AChE or BuChE inhibition assays, a reaction mixture (100 μL) containing acetylthiocholine iodide (1 mmol/L, 30 μL) (J&K Scientific)...


Chem Biol Drug Des 86: 1168-77 (2015)


Article DOI: 10.1111/cbdd.12580
BindingDB Entry DOI: 10.7270/Q2VM4B1P
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM167904
PNG
(N,N-diethylcarbamic acid-4-(5,6,7-trihydroxy-4-oxo...)
Show SMILES CCN(CC)C(=O)Oc1ccc(cc1)-c1cc(=O)c2c(O)c(O)c(O)cc2o1
Show InChI InChI=1S/C20H19NO7/c1-3-21(4-2)20(26)27-12-7-5-11(6-8-12)15-9-13(22)17-16(28-15)10-14(23)18(24)19(17)25/h5-10,23-25H,3-4H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



Sichuan University



Assay Description
For rat AChE or BuChE inhibition assays, a reaction mixture (100 μL) containing acetylthiocholine iodide (1 mmol/L, 30 μL) (J&K Scientific)...


Chem Biol Drug Des 86: 1168-77 (2015)


Article DOI: 10.1111/cbdd.12580
BindingDB Entry DOI: 10.7270/Q2VM4B1P
More data for this
Ligand-Target Pair