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9 similar compounds to monomer 50190442

Compile data set for download or QSAR
Wt: 415.4
BDBM50054673
Wt: 327.3
BDBM50054681
Wt: 339.3
BDBM50074229
Wt: 383.4
BDBM50190435
Wt: 341.4
BDBM50190436
Wt: 417.9
BDBM50190438
Wt: 369.4
BDBM50190445
Wt: 356.4
BDBM50190450
Wt: 355.4
BDBM50190452

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 50054673,50054681,50074229,50190435,50190436,50190438,50190445,50190450,50190452   
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))
BDBM50190438
PNG
(CHEMBL437685 | dipropyl 2-(3-chlorophenyl)-4,6-die...)
Show SMILES CCCOC(=O)c1c(CC)nc(-c2cccc(Cl)c2)c(C(=O)OCCC)c1CC
Show InChI InChI=1S/C23H28ClNO4/c1-5-12-28-22(26)19-17(7-3)20(23(27)29-13-6-2)21(25-18(19)8-4)15-10-9-11-16(24)14-15/h9-11,14H,5-8,12-13H2,1-4H3
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7.90n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 4085-97 (2006)


Article DOI: 10.1021/jm051112+
BindingDB Entry DOI: 10.7270/Q2KK9BC7
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50190445
PNG
(3-ethyl 5-propyl 2,4-diethyl-6-phenylpyridine-3,5-...)
Show SMILES CCCOC(=O)c1c(CC)c(C(=O)OCC)c(CC)nc1-c1ccccc1
Show InChI InChI=1S/C22H27NO4/c1-5-14-27-22(25)19-16(6-2)18(21(24)26-8-4)17(7-3)23-20(19)15-12-10-9-11-13-15/h9-13H,5-8,14H2,1-4H3
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8.30n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 4085-97 (2006)


Article DOI: 10.1021/jm051112+
BindingDB Entry DOI: 10.7270/Q2KK9BC7
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50190435
PNG
(3-ethyl 5-propyl 2-ethyl-6-phenyl-4-propylpyridine...)
Show SMILES CCCOC(=O)c1c(CCC)c(C(=O)OCC)c(CC)nc1-c1ccccc1
Show InChI InChI=1S/C23H29NO4/c1-5-12-17-19(22(25)27-8-4)18(7-3)24-21(16-13-10-9-11-14-16)20(17)23(26)28-15-6-2/h9-11,13-14H,5-8,12,15H2,1-4H3
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19n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 4085-97 (2006)


Article DOI: 10.1021/jm051112+
BindingDB Entry DOI: 10.7270/Q2KK9BC7
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50190452
PNG
(CHEMBL425954 | diethyl 2,4-diethyl-6-phenylpyridin...)
Show SMILES CCOC(=O)c1c(CC)nc(-c2ccccc2)c(C(=O)OCC)c1CC
Show InChI InChI=1S/C21H25NO4/c1-5-15-17(20(23)25-7-3)16(6-2)22-19(14-12-10-9-11-13-14)18(15)21(24)26-8-4/h9-13H,5-8H2,1-4H3
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120n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 4085-97 (2006)


Article DOI: 10.1021/jm051112+
BindingDB Entry DOI: 10.7270/Q2KK9BC7
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50190436
PNG
(4-Ethyl-2-methyl-6-phenyl-pyridine-3,5-dicarboxyli...)
Show SMILES CCOC(=O)c1c(C)nc(-c2ccccc2)c(C(=O)OCC)c1CC
Show InChI InChI=1S/C20H23NO4/c1-5-15-16(19(22)24-6-2)13(4)21-18(14-11-9-8-10-12-14)17(15)20(23)25-7-3/h8-12H,5-7H2,1-4H3
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180n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 4085-97 (2006)


Article DOI: 10.1021/jm051112+
BindingDB Entry DOI: 10.7270/Q2KK9BC7
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50190450
PNG
(3,5-bis-ethoxycarbonyl-4-ethyl-1,2-dimethyl-6-phen...)
Show SMILES CCOC(=O)c1c(C)[n+](C)c(-c2ccccc2)c(C(=O)OCC)c1CC
Show InChI InChI=1S/C21H26NO4/c1-6-16-17(20(23)25-7-2)14(4)22(5)19(15-12-10-9-11-13-15)18(16)21(24)26-8-3/h9-13H,6-8H2,1-5H3/q+1
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380n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 4085-97 (2006)


Article DOI: 10.1021/jm051112+
BindingDB Entry DOI: 10.7270/Q2KK9BC7
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50054673
PNG
(2-Methyl-6-phenyl-4-((E)-styryl)-pyridine-3,5-dica...)
Show SMILES CCOC(=O)c1c(C)nc(-c2ccccc2)c(C(=O)OCC)c1\C=C\c1ccccc1
Show InChI InChI=1S/C26H25NO4/c1-4-30-25(28)22-18(3)27-24(20-14-10-7-11-15-20)23(26(29)31-5-2)21(22)17-16-19-12-8-6-9-13-19/h6-17H,4-5H2,1-3H3/b17-16+
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2.40E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGS- 21680 from Adenosine A2A receptor of rat striatal membrane


J Med Chem 39: 4667-75 (1996)


Article DOI: 10.1021/jm960457c
BindingDB Entry DOI: 10.7270/Q2VQ33BG
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50054673
PNG
(2-Methyl-6-phenyl-4-((E)-styryl)-pyridine-3,5-dica...)
Show SMILES CCOC(=O)c1c(C)nc(-c2ccccc2)c(C(=O)OCC)c1\C=C\c1ccccc1
Show InChI InChI=1S/C26H25NO4/c1-4-30-25(28)22-18(3)27-24(20-14-10-7-11-15-20)23(26(29)31-5-2)21(22)17-16-19-12-8-6-9-13-19/h6-17H,4-5H2,1-3H3/b17-16+
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2.40E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A2A receptor as displacement of [3H]-CGS- 21680 from rat striatal membranes


J Med Chem 41: 3186-201 (1998)


Article DOI: 10.1021/jm980093j
BindingDB Entry DOI: 10.7270/Q23F4QBQ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50054673
PNG
(2-Methyl-6-phenyl-4-((E)-styryl)-pyridine-3,5-dica...)
Show SMILES CCOC(=O)c1c(C)nc(-c2ccccc2)c(C(=O)OCC)c1\C=C\c1ccccc1
Show InChI InChI=1S/C26H25NO4/c1-4-30-25(28)22-18(3)27-24(20-14-10-7-11-15-20)23(26(29)31-5-2)21(22)17-16-19-12-8-6-9-13-19/h6-17H,4-5H2,1-3H3/b17-16+
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2.49E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor as displacement of [3H]R-PIA from rat brain membranes


J Med Chem 41: 3186-201 (1998)


Article DOI: 10.1021/jm980093j
BindingDB Entry DOI: 10.7270/Q23F4QBQ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50054673
PNG
(2-Methyl-6-phenyl-4-((E)-styryl)-pyridine-3,5-dica...)
Show SMILES CCOC(=O)c1c(C)nc(-c2ccccc2)c(C(=O)OCC)c1\C=C\c1ccccc1
Show InChI InChI=1S/C26H25NO4/c1-4-30-25(28)22-18(3)27-24(20-14-10-7-11-15-20)23(26(29)31-5-2)21(22)17-16-19-12-8-6-9-13-19/h6-17H,4-5H2,1-3H3/b17-16+
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2.49E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat cerebral cortex membrane by radioligand binding assay using [3H](R)-PIA.


J Med Chem 39: 4667-75 (1996)


Article DOI: 10.1021/jm960457c
BindingDB Entry DOI: 10.7270/Q2VQ33BG
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50054673
PNG
(2-Methyl-6-phenyl-4-((E)-styryl)-pyridine-3,5-dica...)
Show SMILES CCOC(=O)c1c(C)nc(-c2ccccc2)c(C(=O)OCC)c1\C=C\c1ccccc1
Show InChI InChI=1S/C26H25NO4/c1-4-30-25(28)22-18(3)27-24(20-14-10-7-11-15-20)23(26(29)31-5-2)21(22)17-16-19-12-8-6-9-13-19/h6-17H,4-5H2,1-3H3/b17-16+
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2.80E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from adenosine A3 receptor from HEK293 cell membranes


J Med Chem 41: 3186-201 (1998)


Article DOI: 10.1021/jm980093j
BindingDB Entry DOI: 10.7270/Q23F4QBQ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50054673
PNG
(2-Methyl-6-phenyl-4-((E)-styryl)-pyridine-3,5-dica...)
Show SMILES CCOC(=O)c1c(C)nc(-c2ccccc2)c(C(=O)OCC)c1\C=C\c1ccccc1
Show InChI InChI=1S/C26H25NO4/c1-4-30-25(28)22-18(3)27-24(20-14-10-7-11-15-20)23(26(29)31-5-2)21(22)17-16-19-12-8-6-9-13-19/h6-17H,4-5H2,1-3H3/b17-16+
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2.80E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against cloned human adenosine A3 receptor by radioligand binding assay using [125I]-AB-MECA.


J Med Chem 39: 4667-75 (1996)


Article DOI: 10.1021/jm960457c
BindingDB Entry DOI: 10.7270/Q2VQ33BG
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50054681
PNG
(2,4-Dimethyl-6-phenyl-pyridine-3,5-dicarboxylic ac...)
Show SMILES CCOC(=O)c1c(C)nc(-c2ccccc2)c(C(=O)OCC)c1C
Show InChI InChI=1S/C19H21NO4/c1-5-23-18(21)15-12(3)16(19(22)24-6-2)17(20-13(15)4)14-10-8-7-9-11-14/h7-11H,5-6H2,1-4H3
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4.47E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Inhibition of [125I]- AB-MECA binding to human Adenosine A3 receptors expressed in HEK cells


J Med Chem 39: 4667-75 (1996)


Article DOI: 10.1021/jm960457c
BindingDB Entry DOI: 10.7270/Q2VQ33BG
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50054681
PNG
(2,4-Dimethyl-6-phenyl-pyridine-3,5-dicarboxylic ac...)
Show SMILES CCOC(=O)c1c(C)nc(-c2ccccc2)c(C(=O)OCC)c1C
Show InChI InChI=1S/C19H21NO4/c1-5-23-18(21)15-12(3)16(19(22)24-6-2)17(20-13(15)4)14-10-8-7-9-11-14/h7-11H,5-6H2,1-4H3
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4.50E+3n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 4085-97 (2006)


Article DOI: 10.1021/jm051112+
BindingDB Entry DOI: 10.7270/Q2KK9BC7
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50054681
PNG
(2,4-Dimethyl-6-phenyl-pyridine-3,5-dicarboxylic ac...)
Show SMILES CCOC(=O)c1c(C)nc(-c2ccccc2)c(C(=O)OCC)c1C
Show InChI InChI=1S/C19H21NO4/c1-5-23-18(21)15-12(3)16(19(22)24-6-2)17(20-13(15)4)14-10-8-7-9-11-14/h7-11H,5-6H2,1-4H3
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7.41E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat cerebral cortex membrane by radioligand binding assay using [3H](R)-PIA.


J Med Chem 39: 4667-75 (1996)


Article DOI: 10.1021/jm960457c
BindingDB Entry DOI: 10.7270/Q2VQ33BG
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50074229
PNG
(8-Ethyl-1-oxo-6-phenyl-3,4-dihydro-1H-pyrano[3,4-c...)
Show SMILES CCCOC(=O)c1c2CCOC(=O)c2c(CC)nc1-c1ccccc1
Show InChI InChI=1S/C20H21NO4/c1-3-11-24-20(23)17-14-10-12-25-19(22)16(14)15(4-2)21-18(17)13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3
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1.12E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-CGS- 21680R-PIA binding to Adenosine A1 receptor in rat brain membranes.


J Med Chem 42: 706-21 (1999)


Article DOI: 10.1021/jm980550w
BindingDB Entry DOI: 10.7270/Q2TQ60Q0
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50054681
PNG
(2,4-Dimethyl-6-phenyl-pyridine-3,5-dicarboxylic ac...)
Show SMILES CCOC(=O)c1c(C)nc(-c2ccccc2)c(C(=O)OCC)c1C
Show InChI InChI=1S/C19H21NO4/c1-5-23-18(21)15-12(3)16(19(22)24-6-2)17(20-13(15)4)14-10-8-7-9-11-14/h7-11H,5-6H2,1-4H3
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2.84E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGS- 21680 from Adenosine A2A receptor of rat striatal membrane


J Med Chem 39: 4667-75 (1996)


Article DOI: 10.1021/jm960457c
BindingDB Entry DOI: 10.7270/Q2VQ33BG
More data for this
Ligand-Target Pair