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BDBM50317834 3-(4-(4-methoxyphenyl)butyl)5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate::CHEMBL1098841

SMILES: COC(=O)C1C(C(C(=O)OCCCCc2ccc(OC)cc2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O

InChI Key: InChIKey=OKKUKHGCYSTZHB-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50317834   
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)
BDBM50317834
PNG
(3-(4-(4-methoxyphenyl)butyl)5-methyl 2,6-dimethyl-...)
Show SMILES COC(=O)C1C(C(C(=O)OCCCCc2ccc(OC)cc2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:25,t:22|
Show InChI InChI=1S/C27H30N2O7/c1-17-23(26(30)35-4)25(20-9-7-10-21(16-20)29(32)33)24(18(2)28-17)27(31)36-15-6-5-8-19-11-13-22(34-3)14-12-19/h7,9-14,16,23,25H,5-6,8,15H2,1-4H3
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 17n/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)
BDBM50317834
PNG
(3-(4-(4-methoxyphenyl)butyl)5-methyl 2,6-dimethyl-...)
Show SMILES COC(=O)C1C(C(C(=O)OCCCCc2ccc(OC)cc2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:25,t:22|
Show InChI InChI=1S/C27H30N2O7/c1-17-23(26(30)35-4)25(20-9-7-10-21(16-20)29(32)33)24(18(2)28-17)27(31)36-15-6-5-8-19-11-13-22(34-3)14-12-19/h7,9-14,16,23,25H,5-6,8,15H2,1-4H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 38n/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