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BDBM50430761 CHEMBL2334727

SMILES: CC(C)[C@H](NC(=O)OCC(F)(F)C(F)F)C(=O)N[C@H](C)c1nc2ccc(F)cc2s1

InChI Key: InChIKey=GUDXQQUKTMNTMV-WMDRCBSYNA-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 = 50430761   
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
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50430761
PNG
(CHEMBL2334727)
Show SMILES CC(C)[C@H](NC(=O)OCC(F)(F)C(F)F)C(=O)N[C@H](C)c1nc2ccc(F)cc2s1
Show InChI InChI=1/C18H20F5N3O3S/c1-8(2)13(26-17(28)29-7-18(22,23)16(20)21)14(27)24-9(3)15-25-11-5-4-10(19)6-12(11)30-15/h4-6,8-9,13,16H,7H2,1-3H3,(H,24,27)(H,26,28)/t9-,13+/s2
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.90E+4n/an/an/an/an/an/a



University of Pardubice

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine as substrate after 10 mins by Ellman's method


Bioorg Med Chem 21: 1735-48 (2013)


Article DOI: 10.1016/j.bmc.2013.01.052
BindingDB Entry DOI: 10.7270/Q2V989F2
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50430761
PNG
(CHEMBL2334727)
Show SMILES CC(C)[C@H](NC(=O)OCC(F)(F)C(F)F)C(=O)N[C@H](C)c1nc2ccc(F)cc2s1
Show InChI InChI=1/C18H20F5N3O3S/c1-8(2)13(26-17(28)29-7-18(22,23)16(20)21)14(27)24-9(3)15-25-11-5-4-10(19)6-12(11)30-15/h4-6,8-9,13,16H,7H2,1-3H3,(H,24,27)(H,26,28)/t9-,13+/s2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.38E+4n/an/an/an/an/an/a



University of Pardubice

Curated by ChEMBL


Assay Description
Inhibition of equine BChE using after 10 mins by Ellman's method


Bioorg Med Chem 21: 1735-48 (2013)


Article DOI: 10.1016/j.bmc.2013.01.052
BindingDB Entry DOI: 10.7270/Q2V989F2
More data for this
Ligand-Target Pair