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BDBM50042750 CHEMBL410937::{8-[5-Methoxycarbonyl-2,6-dimethyl-4-(2-trifluoromethyl-phenyl)-1,4-dihydro-pyridine-3-carbonyloxy]-octyl}-trimethyl-ammonium

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

InChI Key: InChIKey=YSIRHAOVEBLRHG-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50042750   
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)		BDBM50042750
PNG
(CHEMBL410937 | {8-[5-Methoxycarbonyl-2,6-dimethyl-...)
Show SMILES COC(=O)C1C(C(C(=O)OCCCCCCCC[N+](C)(C)C)=C(C)N=C1C)c1ccccc1C(F)(F)F |c:24,t:21|
Show InChI InChI=1S/C28H40F3N2O4/c1-19-23(26(34)36-6)25(21-15-11-12-16-22(21)28(29,30)31)24(20(2)32-19)27(35)37-18-14-10-8-7-9-13-17-33(3,4)5/h11-12,15-16,23,25H,7-10,13-14,17-18H2,1-6H3/q+1
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PC sid
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Similars
PubMed
 17n/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