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BDBM50042751 CHEMBL125814::{16-[5-Methoxycarbonyl-2,6-dimethyl-4-(2-trifluoromethyl-phenyl)-1,4-dihydro-pyridine-3-carbonyloxy]-hexadecyl}-trimethyl-ammonium

SMILES: COC(=O)C1C(C(C(=O)OCCCCCCCCCCCCCCCC[N+](C)(C)C)=C(C)N=C1C)c1ccccc1C(F)(F)F

InChI Key: InChIKey=USXQLGYBNCFVLQ-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50042751   
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
Calcium channel


(RAT)
BDBM50042751
PNG
(CHEMBL125814 | {16-[5-Methoxycarbonyl-2,6-dimethyl...)
Show SMILES COC(=O)C1C(C(C(=O)OCCCCCCCCCCCCCCCC[N+](C)(C)C)=C(C)N=C1C)c1ccccc1C(F)(F)F |c:32,t:29|
Show InChI InChI=1S/C36H56F3N2O4/c1-27-31(34(42)44-6)33(29-23-19-20-24-30(29)36(37,38)39)32(28(2)40-27)35(43)45-26-22-18-16-14-12-10-8-7-9-11-13-15-17-21-25-41(3,4)5/h19-20,23-24,31,33H,7-18,21-22,25-26H2,1-6H3/q+1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
64n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibition of [3H](+)-PN200-110 binding to L-type calcium channel 1,4-DHP binding site of rat ventricular myocytes


J Med Chem 36: 3743-5 (1994)


BindingDB Entry DOI: 10.7270/Q2C24X29
More data for this
Ligand-Target Pair