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BDBM50042755 CHEMBL331446::{6-[5-Methoxycarbonyl-2,6-dimethyl-4-(2-trifluoromethyl-phenyl)-1,4-dihydro-pyridine-3-carbonyloxy]-hexyl}-trimethyl-ammonium

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

InChI Key: InChIKey=QBNKIZCQSBLZBC-UHFFFAOYSA-N

Data: 1 KI

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50042755   
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)
BDBM50042755
PNG
(CHEMBL331446 | {6-[5-Methoxycarbonyl-2,6-dimethyl-...)
Show SMILES COC(=O)C1C(C(C(=O)OCCCCCC[N+](C)(C)C)=C(C)N=C1C)c1ccccc1C(F)(F)F |c:22,t:19|
Show InChI InChI=1S/C26H36F3N2O4/c1-17-21(24(32)34-6)23(19-13-9-10-14-20(19)26(27,28)29)22(18(2)30-17)25(33)35-16-12-8-7-11-15-31(3,4)5/h9-10,13-14,21,23H,7-8,11-12,15-16H2,1-6H3/q+1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
234n/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