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SMILES: COC(=O)[C@H]1[C@H](C)CC(Nc2ccc(OC(F)(F)F)cc2)=CC1=O

InChI Key: InChIKey=MCHBEHPBWGBBDV-OTYXRUKQSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50470610   
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
Sodium channel protein type 1/2/3 subunit alpha


(Rattus norvegicus)		BDBM50470610
PNG
(CHEMBL340064)
Show SMILES COC(=O)[C@H]1[C@H](C)CC(Nc2ccc(OC(F)(F)F)cc2)=CC1=O |c:21|
Show InChI InChI=1S/C16H16F3NO4/c1-9-7-11(8-13(21)14(9)15(22)23-2)20-10-3-5-12(6-4-10)24-16(17,18)19/h3-6,8-9,14,20H,7H2,1-2H3/t9-,14+/m1/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.70E+5n/an/an/an/an/an/a



Howard University

Curated by ChEMBL


Assay Description
Inhibition of [3H]BTX-B binding to neurotoxin site 2 of sodium channel of rat cerebral cortex synaptoneurosomes

J Med Chem 38: 4033-43 (1995)


Article DOI: 10.1021/jm00020a019
BindingDB Entry DOI: 10.7270/Q2DV1NM8
More data for this
Ligand-Target Pair