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BDBM50072810 2,6-Dimethyl-4-[2-(4-methyl-2-oxy-furazan-3-ylmethoxy)-phenyl]-1,4-dihydro-pyridine-3,5-dicarboxylic acid dimethyl ester::CHEMBL346151

SMILES: COC(=O)C1=C(C)[N-]C(C)=C(C1c1ccccc1OCc1c(C)no[n+]1[O-])C(=[OH+])OC

InChI Key: InChIKey=YMZSLSBYKLYBFN-UHFFFAOYSA-N

Data: 1 KI  1 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 = 50072810   
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
Cav1.3/Cav beta3/Cav alpha2delta complex


(Rattus norvegicus)
BDBM50072810
PNG
(2,6-Dimethyl-4-[2-(4-methyl-2-oxy-furazan-3-ylmeth...)
Show SMILES COC(=O)C1=C(C)[N-]C(C)=C(C1c1ccccc1OCc1c(C)no[n+]1[O-])C(=[OH+])OC |c:4,9|
Show InChI InChI=1S/C21H23N3O7/c1-11-15(24(27)31-23-11)10-30-16-9-7-6-8-14(16)19-17(20(25)28-4)12(2)22-13(3)18(19)21(26)29-5/h6-9,19H,10H2,1-5H3,(H,22,25,26)
PDB
MMDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
32n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Binding affinity for L-type [Ca2+] channels was measured through displacement of [3H]nitrendipine on rat cortex homogenates.


J Med Chem 41: 5393-401 (1999)


Article DOI: 10.1021/jm9803267
BindingDB Entry DOI: 10.7270/Q2WM1F30
More data for this
Ligand-Target Pair
Cav1.3/Cav beta3/Cav alpha2delta complex


(Rattus norvegicus)
BDBM50072810
PNG
(2,6-Dimethyl-4-[2-(4-methyl-2-oxy-furazan-3-ylmeth...)
Show SMILES COC(=O)C1=C(C)[N-]C(C)=C(C1c1ccccc1OCc1c(C)no[n+]1[O-])C(=[OH+])OC |c:4,9|
Show InChI InChI=1S/C21H23N3O7/c1-11-15(24(27)31-23-11)10-30-16-9-7-6-8-14(16)19-17(20(25)28-4)12(2)22-13(3)18(19)21(26)29-5/h6-9,19H,10H2,1-5H3,(H,22,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 72n/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibitory concentration for L-type [Ca2+] channels was measured through displacement of [3H]nitrendipine on rat cortex homogenates.


J Med Chem 41: 5393-401 (1999)


Article DOI: 10.1021/jm9803267
BindingDB Entry DOI: 10.7270/Q2WM1F30
More data for this
Ligand-Target Pair