BindingDB logo
myBDB logout

19 similar compounds to monomer 50233086

Compile data set for download or QSAR
Wt: 528.4
BDBM50176738
Wt: 485.4
BDBM50176739
Wt: 490.5
BDBM50176741
Wt: 528.4
BDBM50176743
Wt: 494.9
BDBM50176746
Wt: 490.5
BDBM50176747
Wt: 494.9
BDBM50176748
Wt: 528.4
BDBM50176759
Wt: 490.5
BDBM50176762
Wt: 494.9
BDBM50176768
Wt: 500.4
BDBM50233077
Wt: 466.8
BDBM50233083
Wt: 464.8
BDBM50233093
Wt: 498.4
BDBM50233103
Wt: 486.4
BDBM50233104
Displayed 1 to 15 (of 19 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 60 hits for monomerid = 50176738,50176739,50176741,50176743,50176746,50176747,50176748,50176759,50176762,50176768,50233077,50233083,50233093,50233103,50233104   
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 A2b


(Homo sapiens (Human))
BDBM50233103
PNG
(1-(cyclopropylmethyl)-8-(1-((5-(4-(trifluoromethyl...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1nc(Cn2cc(cn2)-c2nc3[nH]c(=O)n(CC4CC4)c(=O)c3[nH]2)no1
Show InChI InChI=1S/C22H17F3N8O3/c23-22(24,25)14-5-3-12(4-6-14)19-27-15(31-36-19)10-32-9-13(7-26-32)17-28-16-18(29-17)30-21(35)33(20(16)34)8-11-1-2-11/h3-7,9,11H,1-2,8,10H2,(H,28,29)(H,30,35)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
13n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM241385 from human A2B receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 18: 1397-401 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.008
BindingDB Entry DOI: 10.7270/Q2319VMQ
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50233077
PNG
(1-isobutyl-8-(1-((5-(4-(trifluoromethyl)phenyl)-1,...)
Show SMILES CC(C)Cn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2noc(n2)-c2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1S/C22H19F3N8O3/c1-11(2)8-33-20(34)16-18(30-21(33)35)29-17(28-16)13-7-26-32(9-13)10-15-27-19(36-31-15)12-3-5-14(6-4-12)22(23,24)25/h3-7,9,11H,8,10H2,1-2H3,(H,28,29)(H,30,35)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
14n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM241385 from human A2B receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 18: 1397-401 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.008
BindingDB Entry DOI: 10.7270/Q2319VMQ
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50176739
PNG
(4-(3-((4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydr...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2ccc(cc2)C#N)c1
Show InChI InChI=1S/C24H23N9O3/c1-3-9-32-21-19(23(34)33(10-4-2)24(32)35)28-20(29-21)17-12-26-31(13-17)14-18-27-22(36-30-18)16-7-5-15(11-25)6-8-16/h5-8,12-13H,3-4,9-10,14H2,1-2H3,(H,28,29)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
14n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from Adenosine A2B receptor expressed in HEK cells


Bioorg Med Chem Lett 16: 302-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.002
BindingDB Entry DOI: 10.7270/Q2154GM1
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50233104
PNG
(1-propyl-8-(1-((5-(4-(trifluoromethyl)phenyl)-1,2,...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2noc(n2)-c2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1S/C21H17F3N8O3/c1-2-7-32-19(33)15-17(29-20(32)34)28-16(27-15)12-8-25-31(9-12)10-14-26-18(35-30-14)11-3-5-13(6-4-11)21(22,23)24/h3-6,8-9H,2,7,10H2,1H3,(H,27,28)(H,29,34)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
15n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM241385 from human A2B receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 18: 1397-401 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.008
BindingDB Entry DOI: 10.7270/Q2319VMQ
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50176738
PNG
(1,3-dipropyl-8-(1-((5-(4-(trifluoromethyl)phenyl)-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1S/C24H23F3N8O3/c1-3-9-34-20-18(22(36)35(10-4-2)23(34)37)30-19(31-20)15-11-28-33(12-15)13-17-29-21(38-32-17)14-5-7-16(8-6-14)24(25,26)27/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H,30,31)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
21n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from Adenosine A2B receptor expressed in HEK cells


Bioorg Med Chem Lett 16: 302-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.002
BindingDB Entry DOI: 10.7270/Q2154GM1
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50233083
PNG
(1-butyl-8-(1-((5-(4-chlorophenyl)-1,2,4-oxadiazol-...)
Show SMILES CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2noc(n2)-c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C21H19ClN8O3/c1-2-3-8-30-20(31)16-18(27-21(30)32)26-17(25-16)13-9-23-29(10-13)11-15-24-19(33-28-15)12-4-6-14(22)7-5-12/h4-7,9-10H,2-3,8,11H2,1H3,(H,25,26)(H,27,32)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
23n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM241385 from human A2B receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 18: 1397-401 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.008
BindingDB Entry DOI: 10.7270/Q2319VMQ
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50176768
PNG
(8-(1-((5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl)met...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2ccccc2Cl)c1
Show InChI InChI=1S/C23H23ClN8O3/c1-3-9-31-20-18(22(33)32(10-4-2)23(31)34)27-19(28-20)14-11-25-30(12-14)13-17-26-21(35-29-17)15-7-5-6-8-16(15)24/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H,27,28)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
38n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from Adenosine A2B receptor expressed in HEK cells


Bioorg Med Chem Lett 16: 302-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.002
BindingDB Entry DOI: 10.7270/Q2154GM1
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50176748
PNG
(8-(1-((5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl)met...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C23H23ClN8O3/c1-3-9-31-20-18(22(33)32(10-4-2)23(31)34)27-19(28-20)15-11-25-30(12-15)13-17-26-21(35-29-17)14-5-7-16(24)8-6-14/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H,27,28)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
39n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from Adenosine A2B receptor expressed in HEK cells


Bioorg Med Chem Lett 16: 302-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.002
BindingDB Entry DOI: 10.7270/Q2154GM1
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50233093
PNG
(8-(1-((5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl)met...)
Show SMILES Clc1ccc(cc1)-c1nc(Cn2cc(cn2)-c2nc3[nH]c(=O)n(CC4CC4)c(=O)c3[nH]2)no1
Show InChI InChI=1S/C21H17ClN8O3/c22-14-5-3-12(4-6-14)19-24-15(28-33-19)10-29-9-13(7-23-29)17-25-16-18(26-17)27-21(32)30(20(16)31)8-11-1-2-11/h3-7,9,11H,1-2,8,10H2,(H,25,26)(H,27,32)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
48n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM241385 from human A2B receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 18: 1397-401 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.008
BindingDB Entry DOI: 10.7270/Q2319VMQ
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50176759
PNG
(1,3-dipropyl-8-(1-((5-(3-(trifluoromethyl)phenyl)-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C24H23F3N8O3/c1-3-8-34-20-18(22(36)35(9-4-2)23(34)37)30-19(31-20)15-11-28-33(12-15)13-17-29-21(38-32-17)14-6-5-7-16(10-14)24(25,26)27/h5-7,10-12H,3-4,8-9,13H2,1-2H3,(H,30,31)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
64n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from Adenosine A2B receptor expressed in HEK cells


Bioorg Med Chem Lett 16: 302-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.002
BindingDB Entry DOI: 10.7270/Q2154GM1
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50176762
PNG
(8-(1-((5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl)me...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2ccccc2OC)c1
Show InChI InChI=1S/C24H26N8O4/c1-4-10-31-21-19(23(33)32(11-5-2)24(31)34)27-20(28-21)15-12-25-30(13-15)14-18-26-22(36-29-18)16-8-6-7-9-17(16)35-3/h6-9,12-13H,4-5,10-11,14H2,1-3H3,(H,27,28)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
83n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from Adenosine A2B receptor expressed in HEK cells


Bioorg Med Chem Lett 16: 302-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.002
BindingDB Entry DOI: 10.7270/Q2154GM1
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50176743
PNG
(1,3-dipropyl-8-(1-((5-(2-(trifluoromethyl)phenyl)-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2ccccc2C(F)(F)F)c1
Show InChI InChI=1S/C24H23F3N8O3/c1-3-9-34-20-18(22(36)35(10-4-2)23(34)37)30-19(31-20)14-11-28-33(12-14)13-17-29-21(38-32-17)15-7-5-6-8-16(15)24(25,26)27/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H,30,31)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
100n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from Adenosine A2B receptor expressed in HEK cells


Bioorg Med Chem Lett 16: 302-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.002
BindingDB Entry DOI: 10.7270/Q2154GM1
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50176747
PNG
(8-(1-((5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl)me...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2ccc(OC)cc2)c1
Show InChI InChI=1S/C24H26N8O4/c1-4-10-31-21-19(23(33)32(11-5-2)24(31)34)27-20(28-21)16-12-25-30(13-16)14-18-26-22(36-29-18)15-6-8-17(35-3)9-7-15/h6-9,12-13H,4-5,10-11,14H2,1-3H3,(H,27,28)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
123n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from Adenosine A2B receptor expressed in HEK cells


Bioorg Med Chem Lett 16: 302-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.002
BindingDB Entry DOI: 10.7270/Q2154GM1
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50176746
PNG
(8-(1-((5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl)met...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2cccc(Cl)c2)c1
Show InChI InChI=1S/C23H23ClN8O3/c1-3-8-31-20-18(22(33)32(9-4-2)23(31)34)27-19(28-20)15-11-25-30(12-15)13-17-26-21(35-29-17)14-6-5-7-16(24)10-14/h5-7,10-12H,3-4,8-9,13H2,1-2H3,(H,27,28)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
134n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from Adenosine A2B receptor expressed in HEK cells


Bioorg Med Chem Lett 16: 302-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.002
BindingDB Entry DOI: 10.7270/Q2154GM1
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50176741
PNG
(8-(1-((5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl)me...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2cccc(OC)c2)c1
Show InChI InChI=1S/C24H26N8O4/c1-4-9-31-21-19(23(33)32(10-5-2)24(31)34)27-20(28-21)16-12-25-30(13-16)14-18-26-22(36-29-18)15-7-6-8-17(11-15)35-3/h6-8,11-13H,4-5,9-10,14H2,1-3H3,(H,27,28)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
136n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from Adenosine A2B receptor expressed in HEK cells


Bioorg Med Chem Lett 16: 302-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.002
BindingDB Entry DOI: 10.7270/Q2154GM1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50176768
PNG
(8-(1-((5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl)met...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2ccccc2Cl)c1
Show InChI InChI=1S/C23H23ClN8O3/c1-3-9-31-20-18(22(33)32(10-4-2)23(31)34)27-19(28-20)14-11-25-30(12-14)13-17-26-21(35-29-17)15-7-5-6-8-16(15)24/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H,27,28)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
330n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from Adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 302-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.002
BindingDB Entry DOI: 10.7270/Q2154GM1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50176739
PNG
(4-(3-((4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydr...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2ccc(cc2)C#N)c1
Show InChI InChI=1S/C24H23N9O3/c1-3-9-32-21-19(23(34)33(10-4-2)24(32)35)28-20(29-21)17-12-26-31(13-17)14-18-27-22(36-30-18)16-7-5-15(11-25)6-8-16/h5-8,12-13H,3-4,9-10,14H2,1-2H3,(H,28,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
570n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from Adenosine A1 receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 302-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.002
BindingDB Entry DOI: 10.7270/Q2154GM1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50176743
PNG
(1,3-dipropyl-8-(1-((5-(2-(trifluoromethyl)phenyl)-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2ccccc2C(F)(F)F)c1
Show InChI InChI=1S/C24H23F3N8O3/c1-3-9-34-20-18(22(36)35(10-4-2)23(34)37)30-19(31-20)14-11-28-33(12-14)13-17-29-21(38-32-17)15-7-5-6-8-16(15)24(25,26)27/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H,30,31)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
620n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from Adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 302-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.002
BindingDB Entry DOI: 10.7270/Q2154GM1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50176768
PNG
(8-(1-((5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl)met...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2ccccc2Cl)c1
Show InChI InChI=1S/C23H23ClN8O3/c1-3-9-31-20-18(22(33)32(10-4-2)23(31)34)27-19(28-20)14-11-25-30(12-14)13-17-26-21(35-29-17)15-7-5-6-8-16(15)24/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H,27,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
630n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from Adenosine A1 receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 302-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.002
BindingDB Entry DOI: 10.7270/Q2154GM1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50176739
PNG
(4-(3-((4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydr...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2ccc(cc2)C#N)c1
Show InChI InChI=1S/C24H23N9O3/c1-3-9-32-21-19(23(34)33(10-4-2)24(32)35)28-20(29-21)17-12-26-31(13-17)14-18-27-22(36-30-18)16-7-5-15(11-25)6-8-16/h5-8,12-13H,3-4,9-10,14H2,1-2H3,(H,28,29)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
640n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from Adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 302-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.002
BindingDB Entry DOI: 10.7270/Q2154GM1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50176741
PNG
(8-(1-((5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl)me...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2cccc(OC)c2)c1
Show InChI InChI=1S/C24H26N8O4/c1-4-9-31-21-19(23(33)32(10-5-2)24(31)34)27-20(28-21)16-12-25-30(13-16)14-18-26-22(36-29-18)15-7-6-8-17(11-15)35-3/h6-8,11-13H,4-5,9-10,14H2,1-3H3,(H,27,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
810n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from Adenosine A1 receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 302-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.002
BindingDB Entry DOI: 10.7270/Q2154GM1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50176762
PNG
(8-(1-((5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl)me...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2ccccc2OC)c1
Show InChI InChI=1S/C24H26N8O4/c1-4-10-31-21-19(23(33)32(11-5-2)24(31)34)27-20(28-21)15-12-25-30(13-15)14-18-26-22(36-29-18)16-8-6-7-9-17(16)35-3/h6-9,12-13H,4-5,10-11,14H2,1-3H3,(H,27,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
930n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from Adenosine A1 receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 302-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.002
BindingDB Entry DOI: 10.7270/Q2154GM1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50176738
PNG
(1,3-dipropyl-8-(1-((5-(4-(trifluoromethyl)phenyl)-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1S/C24H23F3N8O3/c1-3-9-34-20-18(22(36)35(10-4-2)23(34)37)30-19(31-20)15-11-28-33(12-15)13-17-29-21(38-32-17)14-5-7-16(8-6-14)24(25,26)27/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H,30,31)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.30E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from Adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 302-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.002
BindingDB Entry DOI: 10.7270/Q2154GM1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50233104
PNG
(1-propyl-8-(1-((5-(4-(trifluoromethyl)phenyl)-1,2,...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2noc(n2)-c2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1S/C21H17F3N8O3/c1-2-7-32-19(33)15-17(29-20(32)34)28-16(27-15)12-8-25-31(9-12)10-14-26-18(35-30-14)11-3-5-13(6-4-11)21(22,23)24/h3-6,8-9H,2,7,10H2,1H3,(H,27,28)(H,29,34)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.40E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-CPX from human A1 receptor expressed in CHO cell membranes


Bioorg Med Chem Lett 18: 1397-401 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.008
BindingDB Entry DOI: 10.7270/Q2319VMQ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50176759
PNG
(1,3-dipropyl-8-(1-((5-(3-(trifluoromethyl)phenyl)-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C24H23F3N8O3/c1-3-8-34-20-18(22(36)35(9-4-2)23(34)37)30-19(31-20)15-11-28-33(12-15)13-17-29-21(38-32-17)14-6-5-7-16(10-14)24(25,26)27/h5-7,10-12H,3-4,8-9,13H2,1-2H3,(H,30,31)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.80E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from Adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 302-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.002
BindingDB Entry DOI: 10.7270/Q2154GM1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50176743
PNG
(1,3-dipropyl-8-(1-((5-(2-(trifluoromethyl)phenyl)-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2ccccc2C(F)(F)F)c1
Show InChI InChI=1S/C24H23F3N8O3/c1-3-9-34-20-18(22(36)35(10-4-2)23(34)37)30-19(31-20)14-11-28-33(12-14)13-17-29-21(38-32-17)15-7-5-6-8-16(15)24(25,26)27/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H,30,31)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.90E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from Adenosine A1 receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 302-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.002
BindingDB Entry DOI: 10.7270/Q2154GM1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50176741
PNG
(8-(1-((5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl)me...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2cccc(OC)c2)c1
Show InChI InChI=1S/C24H26N8O4/c1-4-9-31-21-19(23(33)32(10-5-2)24(31)34)27-20(28-21)16-12-25-30(13-16)14-18-26-22(36-29-18)15-7-6-8-17(11-15)35-3/h6-8,11-13H,4-5,9-10,14H2,1-3H3,(H,27,28)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.00E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from Adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 302-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.002
BindingDB Entry DOI: 10.7270/Q2154GM1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50176747
PNG
(8-(1-((5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl)me...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2ccc(OC)cc2)c1
Show InChI InChI=1S/C24H26N8O4/c1-4-10-31-21-19(23(33)32(11-5-2)24(31)34)27-20(28-21)16-12-25-30(13-16)14-18-26-22(36-29-18)15-6-8-17(35-3)9-7-15/h6-9,12-13H,4-5,10-11,14H2,1-3H3,(H,27,28)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.30E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from Adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 302-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.002
BindingDB Entry DOI: 10.7270/Q2154GM1
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50176768
PNG
(8-(1-((5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl)met...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2ccccc2Cl)c1
Show InChI InChI=1S/C23H23ClN8O3/c1-3-9-31-20-18(22(33)32(10-4-2)23(31)34)27-19(28-20)14-11-25-30(12-14)13-17-26-21(35-29-17)15-7-5-6-8-16(15)24/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.50E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from Adenosine A2A receptor expressed in HEK cells


Bioorg Med Chem Lett 16: 302-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.002
BindingDB Entry DOI: 10.7270/Q2154GM1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50176748
PNG
(8-(1-((5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl)met...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C23H23ClN8O3/c1-3-9-31-20-18(22(33)32(10-4-2)23(31)34)27-19(28-20)15-11-25-30(12-15)13-17-26-21(35-29-17)14-5-7-16(24)8-6-14/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H,27,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.90E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from Adenosine A1 receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 302-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.002
BindingDB Entry DOI: 10.7270/Q2154GM1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50176746
PNG
(8-(1-((5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl)met...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2cccc(Cl)c2)c1
Show InChI InChI=1S/C23H23ClN8O3/c1-3-8-31-20-18(22(33)32(9-4-2)23(31)34)27-19(28-20)15-11-25-30(12-15)13-17-26-21(35-29-17)14-6-5-7-16(24)10-14/h5-7,10-12H,3-4,8-9,13H2,1-2H3,(H,27,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.00E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from Adenosine A1 receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 302-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.002
BindingDB Entry DOI: 10.7270/Q2154GM1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50176746
PNG
(8-(1-((5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl)met...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2cccc(Cl)c2)c1
Show InChI InChI=1S/C23H23ClN8O3/c1-3-8-31-20-18(22(33)32(9-4-2)23(31)34)27-19(28-20)15-11-25-30(12-15)13-17-26-21(35-29-17)14-6-5-7-16(24)10-14/h5-7,10-12H,3-4,8-9,13H2,1-2H3,(H,27,28)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.00E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from Adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 302-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.002
BindingDB Entry DOI: 10.7270/Q2154GM1
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50176762
PNG
(8-(1-((5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl)me...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2ccccc2OC)c1
Show InChI InChI=1S/C24H26N8O4/c1-4-10-31-21-19(23(33)32(11-5-2)24(31)34)27-20(28-21)15-12-25-30(13-15)14-18-26-22(36-29-18)16-8-6-7-9-17(16)35-3/h6-9,12-13H,4-5,10-11,14H2,1-3H3,(H,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.40E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from Adenosine A2A receptor expressed in HEK cells


Bioorg Med Chem Lett 16: 302-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.002
BindingDB Entry DOI: 10.7270/Q2154GM1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50176747
PNG
(8-(1-((5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl)me...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2ccc(OC)cc2)c1
Show InChI InChI=1S/C24H26N8O4/c1-4-10-31-21-19(23(33)32(11-5-2)24(31)34)27-20(28-21)16-12-25-30(13-16)14-18-26-22(36-29-18)15-6-8-17(35-3)9-7-15/h6-9,12-13H,4-5,10-11,14H2,1-3H3,(H,27,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.90E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from Adenosine A1 receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 302-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.002
BindingDB Entry DOI: 10.7270/Q2154GM1
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50176746
PNG
(8-(1-((5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl)met...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2cccc(Cl)c2)c1
Show InChI InChI=1S/C23H23ClN8O3/c1-3-8-31-20-18(22(33)32(9-4-2)23(31)34)27-19(28-20)15-11-25-30(12-15)13-17-26-21(35-29-17)14-6-5-7-16(24)10-14/h5-7,10-12H,3-4,8-9,13H2,1-2H3,(H,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>5.00E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from Adenosine A2A receptor expressed in HEK cells


Bioorg Med Chem Lett 16: 302-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.002
BindingDB Entry DOI: 10.7270/Q2154GM1
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50233103
PNG
(1-(cyclopropylmethyl)-8-(1-((5-(4-(trifluoromethyl...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1nc(Cn2cc(cn2)-c2nc3[nH]c(=O)n(CC4CC4)c(=O)c3[nH]2)no1
Show InChI InChI=1S/C22H17F3N8O3/c23-22(24,25)14-5-3-12(4-6-14)19-27-15(31-36-19)10-32-9-13(7-26-32)17-28-16-18(29-17)30-21(35)33(20(16)34)8-11-1-2-11/h3-7,9,11H,1-2,8,10H2,(H,28,29)(H,30,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>5.00E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human A2A receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 18: 1397-401 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.008
BindingDB Entry DOI: 10.7270/Q2319VMQ
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50233093
PNG
(8-(1-((5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl)met...)
Show SMILES Clc1ccc(cc1)-c1nc(Cn2cc(cn2)-c2nc3[nH]c(=O)n(CC4CC4)c(=O)c3[nH]2)no1
Show InChI InChI=1S/C21H17ClN8O3/c22-14-5-3-12(4-6-14)19-24-15(28-33-19)10-29-9-13(7-23-29)17-25-16-18(26-17)27-21(32)30(20(16)31)8-11-1-2-11/h3-7,9,11H,1-2,8,10H2,(H,25,26)(H,27,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>5.00E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human A2A receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 18: 1397-401 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.008
BindingDB Entry DOI: 10.7270/Q2319VMQ
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50176743
PNG
(1,3-dipropyl-8-(1-((5-(2-(trifluoromethyl)phenyl)-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2ccccc2C(F)(F)F)c1
Show InChI InChI=1S/C24H23F3N8O3/c1-3-9-34-20-18(22(36)35(10-4-2)23(34)37)30-19(31-20)14-11-28-33(12-14)13-17-29-21(38-32-17)15-7-5-6-8-16(15)24(25,26)27/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H,30,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>5.00E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from Adenosine A2A receptor expressed in HEK cells


Bioorg Med Chem Lett 16: 302-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.002
BindingDB Entry DOI: 10.7270/Q2154GM1
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50176748
PNG
(8-(1-((5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl)met...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C23H23ClN8O3/c1-3-9-31-20-18(22(33)32(10-4-2)23(31)34)27-19(28-20)15-11-25-30(12-15)13-17-26-21(35-29-17)14-5-7-16(24)8-6-14/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>5.00E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from Adenosine A2A receptor expressed in HEK cells


Bioorg Med Chem Lett 16: 302-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.002
BindingDB Entry DOI: 10.7270/Q2154GM1
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50176739
PNG
(4-(3-((4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydr...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2ccc(cc2)C#N)c1
Show InChI InChI=1S/C24H23N9O3/c1-3-9-32-21-19(23(34)33(10-4-2)24(32)35)28-20(29-21)17-12-26-31(13-17)14-18-27-22(36-30-18)16-7-5-15(11-25)6-8-16/h5-8,12-13H,3-4,9-10,14H2,1-2H3,(H,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>5.00E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from Adenosine A2A receptor expressed in HEK cells


Bioorg Med Chem Lett 16: 302-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.002
BindingDB Entry DOI: 10.7270/Q2154GM1
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50176741
PNG
(8-(1-((5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl)me...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2cccc(OC)c2)c1
Show InChI InChI=1S/C24H26N8O4/c1-4-9-31-21-19(23(33)32(10-5-2)24(31)34)27-20(28-21)16-12-25-30(13-16)14-18-26-22(36-29-18)15-7-6-8-17(11-15)35-3/h6-8,11-13H,4-5,9-10,14H2,1-3H3,(H,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>5.00E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from Adenosine A2A receptor expressed in HEK cells


Bioorg Med Chem Lett 16: 302-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.002
BindingDB Entry DOI: 10.7270/Q2154GM1
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50176738
PNG
(1,3-dipropyl-8-(1-((5-(4-(trifluoromethyl)phenyl)-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1S/C24H23F3N8O3/c1-3-9-34-20-18(22(36)35(10-4-2)23(34)37)30-19(31-20)15-11-28-33(12-15)13-17-29-21(38-32-17)14-5-7-16(8-6-14)24(25,26)27/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H,30,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>5.00E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from Adenosine A2A receptor expressed in HEK cells


Bioorg Med Chem Lett 16: 302-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.002
BindingDB Entry DOI: 10.7270/Q2154GM1
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50176747
PNG
(8-(1-((5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl)me...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2ccc(OC)cc2)c1
Show InChI InChI=1S/C24H26N8O4/c1-4-10-31-21-19(23(33)32(11-5-2)24(31)34)27-20(28-21)16-12-25-30(13-16)14-18-26-22(36-29-18)15-6-8-17(35-3)9-7-15/h6-9,12-13H,4-5,10-11,14H2,1-3H3,(H,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>5.00E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from Adenosine A2A receptor expressed in HEK cells


Bioorg Med Chem Lett 16: 302-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.002
BindingDB Entry DOI: 10.7270/Q2154GM1
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50176759
PNG
(1,3-dipropyl-8-(1-((5-(3-(trifluoromethyl)phenyl)-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C24H23F3N8O3/c1-3-8-34-20-18(22(36)35(9-4-2)23(34)37)30-19(31-20)15-11-28-33(12-15)13-17-29-21(38-32-17)14-6-5-7-16(10-14)24(25,26)27/h5-7,10-12H,3-4,8-9,13H2,1-2H3,(H,30,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>5.00E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from Adenosine A2A receptor expressed in HEK cells


Bioorg Med Chem Lett 16: 302-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.002
BindingDB Entry DOI: 10.7270/Q2154GM1
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50233083
PNG
(1-butyl-8-(1-((5-(4-chlorophenyl)-1,2,4-oxadiazol-...)
Show SMILES CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2noc(n2)-c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C21H19ClN8O3/c1-2-3-8-30-20(31)16-18(27-21(30)32)26-17(25-16)13-9-23-29(10-13)11-15-24-19(33-28-15)12-4-6-14(22)7-5-12/h4-7,9-10H,2-3,8,11H2,1H3,(H,25,26)(H,27,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>5.00E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human A2A receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 18: 1397-401 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.008
BindingDB Entry DOI: 10.7270/Q2319VMQ
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50233077
PNG
(1-isobutyl-8-(1-((5-(4-(trifluoromethyl)phenyl)-1,...)
Show SMILES CC(C)Cn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2noc(n2)-c2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1S/C22H19F3N8O3/c1-11(2)8-33-20(34)16-18(30-21(33)35)29-17(28-16)13-7-26-32(9-13)10-15-27-19(36-31-15)12-3-5-14(6-4-12)22(23,24)25/h3-7,9,11H,8,10H2,1-2H3,(H,28,29)(H,30,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>5.00E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human A2A receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 18: 1397-401 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.008
BindingDB Entry DOI: 10.7270/Q2319VMQ
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50233104
PNG
(1-propyl-8-(1-((5-(4-(trifluoromethyl)phenyl)-1,2,...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2noc(n2)-c2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1S/C21H17F3N8O3/c1-2-7-32-19(33)15-17(29-20(32)34)28-16(27-15)12-8-25-31(9-12)10-14-26-18(35-30-14)11-3-5-13(6-4-11)21(22,23)24/h3-6,8-9H,2,7,10H2,1H3,(H,27,28)(H,29,34)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>5.00E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human A2A receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 18: 1397-401 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.008
BindingDB Entry DOI: 10.7270/Q2319VMQ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50233103
PNG
(1-(cyclopropylmethyl)-8-(1-((5-(4-(trifluoromethyl...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1nc(Cn2cc(cn2)-c2nc3[nH]c(=O)n(CC4CC4)c(=O)c3[nH]2)no1
Show InChI InChI=1S/C22H17F3N8O3/c23-22(24,25)14-5-3-12(4-6-14)19-27-15(31-36-19)10-32-9-13(7-26-32)17-28-16-18(29-17)30-21(35)33(20(16)34)8-11-1-2-11/h3-7,9,11H,1-2,8,10H2,(H,28,29)(H,30,35)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>6.00E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-CPX from human A1 receptor expressed in CHO cell membranes


Bioorg Med Chem Lett 18: 1397-401 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.008
BindingDB Entry DOI: 10.7270/Q2319VMQ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50233077
PNG
(1-isobutyl-8-(1-((5-(4-(trifluoromethyl)phenyl)-1,...)
Show SMILES CC(C)Cn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2noc(n2)-c2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1S/C22H19F3N8O3/c1-11(2)8-33-20(34)16-18(30-21(33)35)29-17(28-16)13-7-26-32(9-13)10-15-27-19(36-31-15)12-3-5-14(6-4-12)22(23,24)25/h3-7,9,11H,8,10H2,1-2H3,(H,28,29)(H,30,35)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>6.00E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-CPX from human A1 receptor expressed in CHO cell membranes


Bioorg Med Chem Lett 18: 1397-401 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.008
BindingDB Entry DOI: 10.7270/Q2319VMQ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50233083
PNG
(1-butyl-8-(1-((5-(4-chlorophenyl)-1,2,4-oxadiazol-...)
Show SMILES CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2noc(n2)-c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C21H19ClN8O3/c1-2-3-8-30-20(31)16-18(27-21(30)32)26-17(25-16)13-9-23-29(10-13)11-15-24-19(33-28-15)12-4-6-14(22)7-5-12/h4-7,9-10H,2-3,8,11H2,1H3,(H,25,26)(H,27,32)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>6.00E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-CPX from human A1 receptor expressed in CHO cell membranes


Bioorg Med Chem Lett 18: 1397-401 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.008
BindingDB Entry DOI: 10.7270/Q2319VMQ
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 60 total )  |  Next  |  Last  >>