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BDBM50072819 4-[3-(4-Carbamoyl-2-oxy-furazan-3-ylmethoxy)-phenyl]-2,6-dimethyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid dimethyl ester::CHEMBL345530

SMILES: COC(=O)C1=C(C)[N-]C(C)=C(C1c1cccc(OCc2c(no[n+]2[O-])C(N)=O)c1)C(=[OH+])OC

InChI Key: InChIKey=GLHGGTAWJJKJFX-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 = 50072819   
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-1D


(Rattus norvegicus)
BDBM50072819
PNG
(4-[3-(4-Carbamoyl-2-oxy-furazan-3-ylmethoxy)-pheny...)
Show SMILES COC(=O)C1=C(C)[N-]C(C)=C(C1c1cccc(OCc2c(no[n+]2[O-])C(N)=O)c1)C(=[OH+])OC |c:4,9|
Show InChI InChI=1S/C21H22N4O8/c1-10-15(20(27)30-3)17(16(11(2)23-10)21(28)31-4)12-6-5-7-13(8-12)32-9-14-18(19(22)26)24-33-25(14)29/h5-8,17H,9H2,1-4H3,(H3,22,23,26,27,28)
PDB
MMDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.60E+3n/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
Voltage-dependent L-type calcium channel subunit alpha-1D


(Rattus norvegicus)
BDBM50072819
PNG
(4-[3-(4-Carbamoyl-2-oxy-furazan-3-ylmethoxy)-pheny...)
Show SMILES COC(=O)C1=C(C)[N-]C(C)=C(C1c1cccc(OCc2c(no[n+]2[O-])C(N)=O)c1)C(=[OH+])OC |c:4,9|
Show InChI InChI=1S/C21H22N4O8/c1-10-15(20(27)30-3)17(16(11(2)23-10)21(28)31-4)12-6-5-7-13(8-12)32-9-14-18(19(22)26)24-33-25(14)29/h5-8,17H,9H2,1-4H3,(H3,22,23,26,27,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.60E+3n/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