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BDBM152446 1-(3-Chlorophenyl)-3-(4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)urea (e10)

SMILES: Clc1cccc(NC(=O)Nc2nc(cs2)-c2cc3ccccc3oc2=O)c1

InChI Key: InChIKey=YFBKMOCLNSAMNT-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 152446   
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
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM152446
PNG
(1-(3-Chlorophenyl)-3-(4-(2-oxo-2H-chromen-3-yl)thi...)
Show SMILES Clc1cccc(NC(=O)Nc2nc(cs2)-c2cc3ccccc3oc2=O)c1
Show InChI InChI=1S/C19H12ClN3O3S/c20-12-5-3-6-13(9-12)21-18(25)23-19-22-15(10-27-19)14-8-11-4-1-2-7-16(11)26-17(14)24/h1-10H,(H2,21,22,23,25)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.66E+4n/an/an/an/a8.0n/a



Bezmialem Vakif University



Assay Description
The substrates of the reaction were acetylthiocholine iodide and butyrylthiocholine iodide. 5,5'-dithio-bis(2-nitrobenzoic) acid (DTNB) was used ...


Bioorg Chem 59: 80-90 (2015)


Article DOI: 10.1016/j.bioorg.2015.02.002
BindingDB Entry DOI: 10.7270/Q2668BXT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM152446
PNG
(1-(3-Chlorophenyl)-3-(4-(2-oxo-2H-chromen-3-yl)thi...)
Show SMILES Clc1cccc(NC(=O)Nc2nc(cs2)-c2cc3ccccc3oc2=O)c1
Show InChI InChI=1S/C19H12ClN3O3S/c20-12-5-3-6-13(9-12)21-18(25)23-19-22-15(10-27-19)14-8-11-4-1-2-7-16(11)26-17(14)24/h1-10H,(H2,21,22,23,25)
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.11E+5n/an/an/an/a8.0n/a



Bezmialem Vakif University



Assay Description
The substrates of the reaction were acetylthiocholine iodide and butyrylthiocholine iodide. 5,5'-dithio-bis(2-nitrobenzoic) acid (DTNB) was used ...


Bioorg Chem 59: 80-90 (2015)


Article DOI: 10.1016/j.bioorg.2015.02.002
BindingDB Entry DOI: 10.7270/Q2668BXT
More data for this
Ligand-Target Pair