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BDBM50317820 3-(3-fluorobenzyl)5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate::CHEMBL1097157

SMILES: COC(=O)C1C(C(C(=O)OCc2cccc(F)c2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O

InChI Key: InChIKey=KMNDOCKUJXUOGX-UHFFFAOYSA-N

Data: 2 IC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50317820   
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-dependent L-type calcium channel subunit alpha-1C


(Oryctolagus cuniculus)
BDBM50317820
PNG
(3-(3-fluorobenzyl)5-methyl 2,6-dimethyl-4-(3-nitro...)
Show SMILES COC(=O)C1C(C(C(=O)OCc2cccc(F)c2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:21,t:18|
Show InChI InChI=1S/C23H21FN2O6/c1-13-19(22(27)31-3)21(16-7-5-9-18(11-16)26(29)30)20(14(2)25-13)23(28)32-12-15-6-4-8-17(24)10-15/h4-11,19,21H,12H2,1-3H3
PDB
MMDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 22n/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
Voltage-dependent L-type calcium channel subunit alpha-1D


(Rattus norvegicus)
BDBM50317820
PNG
(3-(3-fluorobenzyl)5-methyl 2,6-dimethyl-4-(3-nitro...)
Show SMILES COC(=O)C1C(C(C(=O)OCc2cccc(F)c2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:21,t:18|
Show InChI InChI=1S/C23H21FN2O6/c1-13-19(22(27)31-3)21(16-7-5-9-18(11-16)26(29)30)20(14(2)25-13)23(28)32-12-15-6-4-8-17(24)10-15/h4-11,19,21H,12H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 28n/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