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BDBM50317818 3-ethyl 5-(4-nitrobenzyl)2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate::CHEMBL1095557

SMILES: CCOC(=O)C1C(C(C(=O)OCc2ccc(cc2)[N+]([O-])=O)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O

InChI Key: InChIKey=PQNGUBRSSYTJHP-UHFFFAOYNA-N

Data: 2 IC50

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   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 = 50317818   
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
Voltage-gated L-type calcium channel alpha-1C subunit


(Oryctolagus cuniculus)
BDBM50317818
PNG
(3-ethyl 5-(4-nitrobenzyl)2,6-dimethyl-4-(3-nitroph...)
Show SMILES CCOC(=O)C1C(C(C(=O)OCc2ccc(cc2)[N+]([O-])=O)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1/C24H23N3O8/c1-4-34-23(28)20-14(2)25-15(3)21(22(20)17-6-5-7-19(12-17)27(32)33)24(29)35-13-16-8-10-18(11-9-16)26(30)31/h5-12,20,22H,4,13H2,1-3H3
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 130n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rabbit Cav1.2 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 ass...


Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Cav1.3/Cav beta3/Cav alpha2delta complex


(Rattus norvegicus)
BDBM50317818
PNG
(3-ethyl 5-(4-nitrobenzyl)2,6-dimethyl-4-(3-nitroph...)
Show SMILES CCOC(=O)C1C(C(C(=O)OCc2ccc(cc2)[N+]([O-])=O)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1/C24H23N3O8/c1-4-34-23(28)20-14(2)25-15(3)21(22(20)17-6-5-7-19(12-17)27(32)33)24(29)35-13-16-8-10-18(11-9-16)26(30)31/h5-12,20,22H,4,13H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 140n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rat Cav1.3 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 assay


Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair