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BDBM50018905 2,6-Dimethyl-4-(3-nitro-phenyl)-1,4-dihydro-pyridine-3,5-dicarboxylic acid diethyl ester::CHEMBL289347::diethyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate

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

InChI Key: InChIKey=QFNZZSSQTCYLRO-UHFFFAOYSA-N

Data: 4 KI  1 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 5 hits for monomerid = 50018905   
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
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50018905
PNG
(2,6-Dimethyl-4-(3-nitro-phenyl)-1,4-dihydro-pyridi...)
Show SMILES CCOC([O-])=C1C(C(C(=[OH+])OCC)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |w:3.3,c:15,t:12|
Show InChI InChI=1S/C19H22N2O6/c1-5-26-18(22)15-11(3)20-12(4)16(19(23)27-6-2)17(15)13-8-7-9-14(10-13)21(24)25/h7-10,17,22H,5-6H2,1-4H3
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2.51E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [125]AB-MECA binding to human Adenosine A3 receptor expressed in HEK cells


J Med Chem 39: 2980-9 (1996)


Article DOI: 10.1021/jm9600205
BindingDB Entry DOI: 10.7270/Q2833SQ6
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50018905
PNG
(2,6-Dimethyl-4-(3-nitro-phenyl)-1,4-dihydro-pyridi...)
Show SMILES CCOC([O-])=C1C(C(C(=[OH+])OCC)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |w:3.3,c:15,t:12|
Show InChI InChI=1S/C19H22N2O6/c1-5-26-18(22)15-11(3)20-12(4)16(19(23)27-6-2)17(15)13-8-7-9-14(10-13)21(24)25/h7-10,17,22H,5-6H2,1-4H3
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3.34E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-PIA binding to Adenosine A1 receptor in rat brain membranes


J Med Chem 39: 2980-9 (1996)


Article DOI: 10.1021/jm9600205
BindingDB Entry DOI: 10.7270/Q2833SQ6
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50018905
PNG
(2,6-Dimethyl-4-(3-nitro-phenyl)-1,4-dihydro-pyridi...)
Show SMILES CCOC([O-])=C1C(C(C(=[OH+])OCC)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |w:3.3,c:15,t:12|
Show InChI InChI=1S/C19H22N2O6/c1-5-26-18(22)15-11(3)20-12(4)16(19(23)27-6-2)17(15)13-8-7-9-14(10-13)21(24)25/h7-10,17,22H,5-6H2,1-4H3
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1.82E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGS- 21680 binding to Adenosine A2A receptor in rat striatal membranes


J Med Chem 39: 2980-9 (1996)


Article DOI: 10.1021/jm9600205
BindingDB Entry DOI: 10.7270/Q2833SQ6
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM50018905
PNG
(2,6-Dimethyl-4-(3-nitro-phenyl)-1,4-dihydro-pyridi...)
Show SMILES CCOC([O-])=C1C(C(C(=[OH+])OCC)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |w:3.3,c:15,t:12|
Show InChI InChI=1S/C19H22N2O6/c1-5-26-18(22)15-11(3)20-12(4)16(19(23)27-6-2)17(15)13-8-7-9-14(10-13)21(24)25/h7-10,17,22H,5-6H2,1-4H3
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2.50E+4n/an/an/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Non-competitive inhibition of Saccharomyces cerevisiae alpha-glucosidase using p-nitrophenyl alpha-D-glucopyranoside as substrate preincubated for 15...


Eur J Med Chem 95: 199-209 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.018
BindingDB Entry DOI: 10.7270/Q2K075Z5
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM50018905
PNG
(2,6-Dimethyl-4-(3-nitro-phenyl)-1,4-dihydro-pyridi...)
Show SMILES CCOC([O-])=C1C(C(C(=[OH+])OCC)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |w:3.3,c:15,t:12|
Show InChI InChI=1S/C19H22N2O6/c1-5-26-18(22)15-11(3)20-12(4)16(19(23)27-6-2)17(15)13-8-7-9-14(10-13)21(24)25/h7-10,17,22H,5-6H2,1-4H3
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n/an/a 3.50E+4n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of Saccharomyces cerevisiae alpha-glucosidase using p-nitrophenyl alpha-D-glucopyranoside as substrate preincubated for 15 mins measured u...


Eur J Med Chem 95: 199-209 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.018
BindingDB Entry DOI: 10.7270/Q2K075Z5
More data for this
Ligand-Target Pair