BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 1476 hits with Last Name = 'stefanachi' and Initial = 'a'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50146585
PNG
(CHEMBL3763396)
Show SMILES CC1CCN(CCCCc2cccc3cc(OCCCCCCN4C(=O)c5ccc(cc5C4=O)N(C)C)ccc23)CC1
Show InChI InChI=1S/C36H47N3O3/c1-27-18-22-38(23-19-27)20-8-6-11-28-12-10-13-29-25-31(15-17-32(28)29)42-24-9-5-4-7-21-39-35(40)33-16-14-30(37(2)3)26-34(33)36(39)41/h10,12-17,25-27H,4-9,11,18-24H2,1-3H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

0.0300n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50161342
PNG
(2-Amino-4-phenyl-indeno[1,2-d]pyrimidin-5-one | 2-...)
Show SMILES Nc1nc2-c3ccccc3C(=O)c2c(n1)-c1ccccc1
Show InChI InChI=1S/C17H11N3O/c18-17-19-14(10-6-2-1-3-7-10)13-15(20-17)11-8-4-5-9-12(11)16(13)21/h1-9H,(H2,18,19,20)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.100n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]DPCPX from A1 adenosine receptor (unknown origin) expressed in CHO cell membrane incubated for 60 mins at room temperature by NXT...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01636
BindingDB Entry DOI: 10.7270/Q2M61Q5K
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50048866
PNG
(1-Cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydro-na...)
Show SMILES COc1cccc2C(CCCN3CCN(CC3)C3CCCCC3)CCCc12
Show InChI InChI=1S/C24H38N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21/h6,12,14,20-21H,2-5,7-11,13,15-19H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Patents


Similars

0.380n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50258734
PNG
(CHEMBL512276 | [4-(2,3,4,5-Tetrahydro-2,4-dioxo-1,...)
Show SMILES CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(COC(=O)Nc2ccc(F)cc2)cc1
Show InChI InChI=1S/C26H27FN4O4/c1-3-13-30-22-15-21(29-23(22)24(32)31(14-4-2)26(30)34)18-7-5-17(6-8-18)16-35-25(33)28-20-11-9-19(27)10-12-20/h5-12,15,29H,3-4,13-14,16H2,1-2H3,(H,28,33)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.400n/an/an/an/an/an/an/an/a



Universidade de Santiago de Compostela

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human recombinant adenosine A1 receptor expressed in CHO cells by beta scintillation counter


Bioorg Med Chem 17: 3618-29 (2009)


Article DOI: 10.1016/j.bmc.2009.03.062
BindingDB Entry DOI: 10.7270/Q2Q81D07
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))
CHEMBL5271751
PNG
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
UniChem
0.430n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50268107
PNG
(CHEMBL485862 | CHEMBL500634 | N-(2-(2-phenyl-6-(4-...)
Show SMILES CC(=O)NCCNc1nc(nc2[nH]c(cc12)C(=O)N1CCN(CCCc2ccccc2)CC1)-c1ccccc1
Show InChI InChI=1S/C30H35N7O2/c1-22(38)31-14-15-32-28-25-21-26(33-29(25)35-27(34-28)24-12-6-3-7-13-24)30(39)37-19-17-36(18-20-37)16-8-11-23-9-4-2-5-10-23/h2-7,9-10,12-13,21H,8,11,14-20H2,1H3,(H,31,38)(H2,32,33,34,35)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human A2B receptor


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01431
BindingDB Entry DOI: 10.7270/Q2JQ14S5
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))
CHEMBL5278003
PNG
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
UniChem
0.580n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))
BDBM50048866
PNG
(1-Cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydro-na...)
Show SMILES COc1cccc2C(CCCN3CCN(CC3)C3CCCCC3)CCCc12
Show InChI InChI=1S/C24H38N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21/h6,12,14,20-21H,2-5,7-11,13,15-19H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Patents


Similars

0.680n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50258672
PNG
(CHEMBL513681 | [4-(2,3,4,5-Tetrahydro-1,3-dimethyl...)
Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(COC(=O)Nc2ccsc2)cc1
Show InChI InChI=1S/C20H18N4O4S/c1-23-16-9-15(22-17(16)18(25)24(2)20(23)27)13-5-3-12(4-6-13)10-28-19(26)21-14-7-8-29-11-14/h3-9,11,22H,10H2,1-2H3,(H,21,26)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.800n/an/an/an/an/an/an/an/a



Universidade de Santiago de Compostela

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human recombinant adenosine A2B receptor expressed in HEK293 cells by beta scintillation counter


Bioorg Med Chem 17: 3618-29 (2009)


Article DOI: 10.1016/j.bmc.2009.03.062
BindingDB Entry DOI: 10.7270/Q2Q81D07
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50584560
PNG
(CHEMBL5077370)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(N)nc(-c2ccccc2)c1C#N
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.950n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]HZ241385 from human A2AAR expressed in HeLa cell membrane incubated for 30 mins by microbeta trilux scintillation counter analysi...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01636
BindingDB Entry DOI: 10.7270/Q2M61Q5K
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50375415
PNG
(CHEMBL259479)
Show SMILES CCCn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OC(C)(C)C(=O)N2CCN(CC2)c2nc3ccc(Cl)cc3s2)cc1
Show InChI InChI=1S/C31H33ClN6O4S/c1-5-12-38-24-18-23(33-26(24)27(39)35(4)30(38)41)19-6-9-21(10-7-19)42-31(2,3)28(40)36-13-15-37(16-14-36)29-34-22-11-8-20(32)17-25(22)43-29/h6-11,17-18,33H,5,12-16H2,1-4H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells


Bioorg Med Chem 16: 2852-69 (2008)

Checked by Author
Article DOI: 10.1016/j.bmc.2008.01.002
BindingDB Entry DOI: 10.7270/Q2G73FMZ
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50273311
PNG
(CHEMBL456125 | N-(4-bromophenyl)-2-(4-(7-hydroxy-2...)
Show SMILES CCCn1c2c(O)c([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1
Show InChI InChI=1S/C26H27BrN4O5/c1-3-13-30-23-22(25(34)31(14-4-2)26(30)35)29-21(24(23)33)16-5-11-19(12-6-16)36-15-20(32)28-18-9-7-17(27)8-10-18/h5-12,29,33H,3-4,13-15H2,1-2H3,(H,28,32)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1n/an/an/an/an/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human cloned adenosine A2B receptor expressed in HEK293 cells


Bioorg Med Chem 16: 9780-9 (2008)


Article DOI: 10.1016/j.bmc.2008.09.067
BindingDB Entry DOI: 10.7270/Q21Z448B
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50375415
PNG
(CHEMBL259479)
Show SMILES CCCn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OC(C)(C)C(=O)N2CCN(CC2)c2nc3ccc(Cl)cc3s2)cc1
Show InChI InChI=1S/C31H33ClN6O4S/c1-5-12-38-24-18-23(33-26(24)27(39)35(4)30(38)41)19-6-9-21(10-7-19)42-31(2,3)28(40)36-13-15-37(16-14-36)29-34-22-11-8-20(32)17-25(22)43-29/h6-11,17-18,33H,5,12-16H2,1-4H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells


Bioorg Med Chem 16: 2852-69 (2008)

Checked by Author
Article DOI: 10.1016/j.bmc.2008.01.002
BindingDB Entry DOI: 10.7270/Q2G73FMZ
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50207816
PNG
(CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCN)cc1
Show InChI InChI=1S/C21H28N6O4/c1-3-11-26-19-17(20(29)27(12-4-2)21(26)30)24-18(25-19)14-5-7-15(8-6-14)31-13-16(28)23-10-9-22/h5-8H,3-4,9-13,22H2,1-2H3,(H,23,28)(H,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
1n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]HZ241385 from human A2AAR expressed in HeLa cell membrane incubated for 30 mins by microbeta trilux scintillation counter analysi...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01636
BindingDB Entry DOI: 10.7270/Q2M61Q5K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50161342
PNG
(2-Amino-4-phenyl-indeno[1,2-d]pyrimidin-5-one | 2-...)
Show SMILES Nc1nc2-c3ccccc3C(=O)c2c(n1)-c1ccccc1
Show InChI InChI=1S/C17H11N3O/c18-17-19-14(10-6-2-1-3-7-10)13-15(20-17)11-8-4-5-9-12(11)16(13)21/h1-9H,(H2,18,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.10n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]SCH-58261 from A2A adenosine receptor (unknown origin) expressed in HEK cell membrane incubated for 60 mins at room temperature b...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01636
BindingDB Entry DOI: 10.7270/Q2M61Q5K
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
CHEMBL5275443
PNG
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
UniChem
1.10n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50375499
PNG
(CHEMBL259319)
Show SMILES O=C(Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccc2OCOc2c1)C1CCCC1
Show InChI InChI=1S/C24H20N4O3/c25-13-18-21(15-6-2-1-3-7-15)26-24(28-23(29)16-8-4-5-9-16)27-22(18)17-10-11-19-20(12-17)31-14-30-19/h1-3,6-7,10-12,16H,4-5,8-9,14H2,(H,26,27,28,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.20n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]DPCPX from A1 adenosine receptor (unknown origin) expressed in CHO cell membrane incubated for 60 mins at room temperature by NXT...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01636
BindingDB Entry DOI: 10.7270/Q2M61Q5K
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50584555
PNG
(CHEMBL5084351)
Show SMILES Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1cccc(O)c1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
1.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]DPCPX from human A1AR expressed in CHO cell membrane incubated for 60 mins by microbeta trilux scintillation counter analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01636
BindingDB Entry DOI: 10.7270/Q2M61Q5K
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50375414
PNG
(CHEMBL260051)
Show SMILES CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)N2CCN(CC2)c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C30H34ClN5O4/c1-3-12-35-26-19-25(32-28(26)29(38)36(13-4-2)30(35)39)21-8-10-24(11-9-21)40-20-27(37)34-16-14-33(15-17-34)23-7-5-6-22(31)18-23/h5-11,18-19,32H,3-4,12-17,20H2,1-2H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.5n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells


Bioorg Med Chem 16: 2852-69 (2008)

Checked by Author
Article DOI: 10.1016/j.bmc.2008.01.002
BindingDB Entry DOI: 10.7270/Q2G73FMZ
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50375414
PNG
(CHEMBL260051)
Show SMILES CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)N2CCN(CC2)c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C30H34ClN5O4/c1-3-12-35-26-19-25(32-28(26)29(38)36(13-4-2)30(35)39)21-8-10-24(11-9-21)40-20-27(37)34-16-14-33(15-17-34)23-7-5-6-22(31)18-23/h5-11,18-19,32H,3-4,12-17,20H2,1-2H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.5n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells


Bioorg Med Chem 16: 2852-69 (2008)

Checked by Author
Article DOI: 10.1016/j.bmc.2008.01.002
BindingDB Entry DOI: 10.7270/Q2G73FMZ
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50086168
PNG
(2-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C25H27N5O4/c1-3-14-29-23-21(24(32)30(15-4-2)25(29)33)27-22(28-23)17-10-12-19(13-11-17)34-16-20(31)26-18-8-6-5-7-9-18/h5-13H,3-4,14-16H2,1-2H3,(H,26,31)(H,27,28)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.51n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human adenosine A2B receptor


J Med Chem 49: 282-99 (2006)


Article DOI: 10.1021/jm0506221
BindingDB Entry DOI: 10.7270/Q29K4CF5
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50410697
PNG
(CHEMBL370588)
Show SMILES CC(Oc1ccc(cc1)-c1cc2n(C)c(=O)n(C)c(=O)c2[nH]1)C(=O)Nc1ccc(Br)cc1
Show InChI InChI=1S/C23H21BrN4O4/c1-13(21(29)25-16-8-6-15(24)7-9-16)32-17-10-4-14(5-11-17)18-12-19-20(26-18)22(30)28(3)23(31)27(19)2/h4-13,26H,1-3H3,(H,25,29)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.55n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human adenosine A2B receptor


J Med Chem 49: 282-99 (2006)


Article DOI: 10.1021/jm0506221
BindingDB Entry DOI: 10.7270/Q29K4CF5
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50584559
PNG
(CHEMBL5088876)
Show SMILES COc1cc(OC)cc(c1)-c1nc(N)nc(-c2ccccc2)c1C#N
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.70n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]HZ241385 from human A2AAR expressed in HeLa cell membrane incubated for 30 mins by microbeta trilux scintillation counter analysi...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01636
BindingDB Entry DOI: 10.7270/Q2M61Q5K
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50258762
PNG
(CHEMBL466035 | [4-(2,3,4,5-Tetrahydro-2,4-dioxo-1,...)
Show SMILES CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(COC(=O)Nc2ccon2)cc1
Show InChI InChI=1S/C23H25N5O5/c1-3-10-27-18-13-17(24-20(18)21(29)28(11-4-2)23(27)31)16-7-5-15(6-8-16)14-32-22(30)25-19-9-12-33-26-19/h5-9,12-13,24H,3-4,10-11,14H2,1-2H3,(H,25,26,30)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.70n/an/an/an/an/an/an/an/a



Universidade de Santiago de Compostela

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human recombinant adenosine A2B receptor expressed in HEK293 cells by beta scintillation counter


Bioorg Med Chem 17: 3618-29 (2009)


Article DOI: 10.1016/j.bmc.2009.03.062
BindingDB Entry DOI: 10.7270/Q2Q81D07
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50375500
PNG
(CHEMBL259607)
Show SMILES Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccc2OCOc2c1
Show InChI InChI=1S/C18H12N4O2/c19-9-13-16(11-4-2-1-3-5-11)21-18(20)22-17(13)12-6-7-14-15(8-12)24-10-23-14/h1-8H,10H2,(H2,20,21,22)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.80n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]DPCPX from human A1AR expressed in CHO cell membrane incubated for 60 mins by microbeta trilux scintillation counter analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01636
BindingDB Entry DOI: 10.7270/Q2M61Q5K
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM21190
PNG
(4-(2-{[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-...)
Show SMILES Nc1nc(NCCc2ccc(O)cc2)nc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
1.90n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]ZM2421385 from adenosine A2A receptor expressed in human HeLa cell membranes incubated for 30 mins by scintillation counting meth...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01431
BindingDB Entry DOI: 10.7270/Q2JQ14S5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM21190
PNG
(4-(2-{[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-...)
Show SMILES Nc1nc(NCCc2ccc(O)cc2)nc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
1.90n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]HZ241385 from human A2AAR expressed in HeLa cell membrane incubated for 30 mins by microbeta trilux scintillation counter analysi...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01636
BindingDB Entry DOI: 10.7270/Q2M61Q5K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50244285
PNG
(CHEMBL4079520)
Show SMILES CCOc1ccc(Nc2nc3cc(ccc3n2CCC(C)C)C(=O)N(CC)CC)cc1
Show InChI InChI=1S/C25H34N4O2/c1-6-28(7-2)24(30)19-9-14-23-22(17-19)27-25(29(23)16-15-18(4)5)26-20-10-12-21(13-11-20)31-8-3/h9-14,17-18H,6-8,15-16H2,1-5H3,(H,26,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

1.90n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50021080
PNG
(2-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1
Show InChI InChI=1S/C26H29N5O4/c1-4-14-30-24-22(25(33)31(15-5-2)26(30)34)28-23(29-24)18-8-12-20(13-9-18)35-16-21(32)27-19-10-6-17(3)7-11-19/h6-13H,4-5,14-16H2,1-3H3,(H,27,32)(H,28,29)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.91n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human adenosine A2B receptor


J Med Chem 49: 282-99 (2006)


Article DOI: 10.1021/jm0506221
BindingDB Entry DOI: 10.7270/Q29K4CF5
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50086170
PNG
((4-Cyano-phenyl)-carbamic acid 4-(2,6-dioxo-1,3-di...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C26H26N6O4/c1-3-13-31-24-22(25(34)32(14-4-2)26(31)35)29-23(30-24)18-7-11-20(12-8-18)36-16-21(33)28-19-9-5-17(15-27)6-10-19/h5-12H,3-4,13-14,16H2,1-2H3,(H,28,33)(H,29,30)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
2n/an/an/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human A2B receptor


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01431
BindingDB Entry DOI: 10.7270/Q2JQ14S5
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50375411
PNG
(CHEMBL412112)
Show SMILES CCCn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCN(CC2)c2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C29H30F3N5O4/c1-3-12-37-24-17-23(33-26(24)27(39)34(2)28(37)40)19-4-10-22(11-5-19)41-18-25(38)36-15-13-35(14-16-36)21-8-6-20(7-9-21)29(30,31)32/h4-11,17,33H,3,12-16,18H2,1-2H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells


Bioorg Med Chem 16: 2852-69 (2008)

Checked by Author
Article DOI: 10.1016/j.bmc.2008.01.002
BindingDB Entry DOI: 10.7270/Q2G73FMZ
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50375413
PNG
(CHEMBL260692)
Show SMILES CC(Oc1ccc(cc1)-c1cc2n(C)c(=O)n(C)c(=O)c2[nH]1)C(=O)N1CCN(CC1)c1ccc(C)cc1 |w:1.0|
Show InChI InChI=1S/C28H31N5O4/c1-18-5-9-21(10-6-18)32-13-15-33(16-14-32)26(34)19(2)37-22-11-7-20(8-12-22)23-17-24-25(29-23)27(35)31(4)28(36)30(24)3/h5-12,17,19,29H,13-16H2,1-4H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells


Bioorg Med Chem 16: 2852-69 (2008)

Checked by Author
Article DOI: 10.1016/j.bmc.2008.01.002
BindingDB Entry DOI: 10.7270/Q2G73FMZ
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50375413
PNG
(CHEMBL260692)
Show SMILES CC(Oc1ccc(cc1)-c1cc2n(C)c(=O)n(C)c(=O)c2[nH]1)C(=O)N1CCN(CC1)c1ccc(C)cc1 |w:1.0|
Show InChI InChI=1S/C28H31N5O4/c1-18-5-9-21(10-6-18)32-13-15-33(16-14-32)26(34)19(2)37-22-11-7-20(8-12-22)23-17-24-25(29-23)27(35)31(4)28(36)30(24)3/h5-12,17,19,29H,13-16H2,1-4H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells


Bioorg Med Chem 16: 2852-69 (2008)

Checked by Author
Article DOI: 10.1016/j.bmc.2008.01.002
BindingDB Entry DOI: 10.7270/Q2G73FMZ
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50375411
PNG
(CHEMBL412112)
Show SMILES CCCn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCN(CC2)c2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C29H30F3N5O4/c1-3-12-37-24-17-23(33-26(24)27(39)34(2)28(37)40)19-4-10-22(11-5-19)41-18-25(38)36-15-13-35(14-16-36)21-8-6-20(7-9-21)29(30,31)32/h4-11,17,33H,3,12-16,18H2,1-2H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells


Bioorg Med Chem 16: 2852-69 (2008)

Checked by Author
Article DOI: 10.1016/j.bmc.2008.01.002
BindingDB Entry DOI: 10.7270/Q2G73FMZ
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50258734
PNG
(CHEMBL512276 | [4-(2,3,4,5-Tetrahydro-2,4-dioxo-1,...)
Show SMILES CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(COC(=O)Nc2ccc(F)cc2)cc1
Show InChI InChI=1S/C26H27FN4O4/c1-3-13-30-22-15-21(29-23(22)24(32)31(14-4-2)26(30)34)18-7-5-17(6-8-18)16-35-25(33)28-20-11-9-19(27)10-12-20/h5-12,15,29H,3-4,13-14,16H2,1-2H3,(H,28,33)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2n/an/an/an/an/an/an/an/a



Universidade de Santiago de Compostela

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human recombinant adenosine A2B receptor expressed in HEK293 cells by beta scintillation counter


Bioorg Med Chem 17: 3618-29 (2009)


Article DOI: 10.1016/j.bmc.2009.03.062
BindingDB Entry DOI: 10.7270/Q2Q81D07
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50086170
PNG
((4-Cyano-phenyl)-carbamic acid 4-(2,6-dioxo-1,3-di...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C26H26N6O4/c1-3-13-31-24-22(25(34)32(14-4-2)26(31)35)29-23(30-24)18-7-11-20(12-8-18)36-16-21(33)28-19-9-5-17(15-27)6-10-19/h5-12H,3-4,13-14,16H2,1-2H3,(H,28,33)(H,29,30)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
2n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human adenosine A2B receptor


J Med Chem 49: 282-99 (2006)


Article DOI: 10.1021/jm0506221
BindingDB Entry DOI: 10.7270/Q29K4CF5
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50584556
PNG
(CHEMBL5086406)
Show SMILES COc1cccc(c1)-c1nc(N)nc(-c2ccccc2)c1C#N
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
2.10n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]DPCPX from human A1AR expressed in CHO cell membrane incubated for 60 mins by microbeta trilux scintillation counter analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01636
BindingDB Entry DOI: 10.7270/Q2M61Q5K
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50258707
PNG
(CHEMBL469136 | [4-(2,3,4,5-Tetrahydro-1,3-dimethyl...)
Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(COC(=O)N2CCc3ccccc3C2)cc1
Show InChI InChI=1S/C25H24N4O4/c1-27-21-13-20(26-22(21)23(30)28(2)24(27)31)18-9-7-16(8-10-18)15-33-25(32)29-12-11-17-5-3-4-6-19(17)14-29/h3-10,13,26H,11-12,14-15H2,1-2H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.10n/an/an/an/an/an/an/an/a



Universidade de Santiago de Compostela

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human recombinant adenosine A2B receptor expressed in HEK293 cells by beta scintillation counter


Bioorg Med Chem 17: 3618-29 (2009)


Article DOI: 10.1016/j.bmc.2009.03.062
BindingDB Entry DOI: 10.7270/Q2Q81D07
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50410651
PNG
(CHEMBL201022)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)c2ccc(I)cc2)cc1
Show InChI InChI=1S/C25H25IN4O4/c1-3-13-29-23-21(24(32)30(14-4-2)25(29)33)27-22(28-23)17-7-11-19(12-8-17)34-15-20(31)16-5-9-18(26)10-6-16/h5-12H,3-4,13-15H2,1-2H3,(H,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.14n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human adenosine A2A receptor


J Med Chem 49: 282-99 (2006)


Article DOI: 10.1021/jm0506221
BindingDB Entry DOI: 10.7270/Q29K4CF5
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50086165
PNG
(2-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(I)cc2)cc1
Show InChI InChI=1S/C25H26IN5O4/c1-3-13-30-23-21(24(33)31(14-4-2)25(30)34)28-22(29-23)16-5-11-19(12-6-16)35-15-20(32)27-18-9-7-17(26)8-10-18/h5-12H,3-4,13-15H2,1-2H3,(H,27,32)(H,28,29)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.14n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human adenosine A2B receptor


J Med Chem 49: 282-99 (2006)


Article DOI: 10.1021/jm0506221
BindingDB Entry DOI: 10.7270/Q29K4CF5
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50240999
PNG
(CHEMBL201145 | N-(4-bromophenyl)-2-(4-(2,4-dioxo-1...)
Show SMILES CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1
Show InChI InChI=1S/C26H27BrN4O4/c1-3-13-30-22-15-21(29-24(22)25(33)31(14-4-2)26(30)34)17-5-11-20(12-6-17)35-16-23(32)28-19-9-7-18(27)8-10-19/h5-12,15,29H,3-4,13-14,16H2,1-2H3,(H,28,32)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.19n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human adenosine A2B receptor


J Med Chem 49: 282-99 (2006)


Article DOI: 10.1021/jm0506221
BindingDB Entry DOI: 10.7270/Q29K4CF5
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50258620
PNG
(CHEMBL512290 | [4-(2,3,4,5-Tetrahydro-1,3-dimethyl...)
Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(COC(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C22H20N4O4/c1-25-18-12-17(24-19(18)20(27)26(2)22(25)29)15-10-8-14(9-11-15)13-30-21(28)23-16-6-4-3-5-7-16/h3-12,24H,13H2,1-2H3,(H,23,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.20n/an/an/an/an/an/an/an/a



Universidade de Santiago de Compostela

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human recombinant adenosine A1 receptor expressed in CHO cells by beta scintillation counter


Bioorg Med Chem 17: 3618-29 (2009)


Article DOI: 10.1016/j.bmc.2009.03.062
BindingDB Entry DOI: 10.7270/Q2Q81D07
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM21173
PNG
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
2.20n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes incubated for 60 mins by scintillation counting method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01431
BindingDB Entry DOI: 10.7270/Q2JQ14S5
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50240999
PNG
(CHEMBL201145 | N-(4-bromophenyl)-2-(4-(2,4-dioxo-1...)
Show SMILES CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1
Show InChI InChI=1S/C26H27BrN4O4/c1-3-13-30-22-15-21(29-24(22)25(33)31(14-4-2)26(30)34)17-5-11-20(12-6-17)35-16-23(32)28-19-9-7-18(27)8-10-19/h5-12,15,29H,3-4,13-14,16H2,1-2H3,(H,28,32)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.20n/an/an/an/an/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human cloned adenosine A2B receptor expressed in HEK293 cells


Bioorg Med Chem 16: 9780-9 (2008)


Article DOI: 10.1016/j.bmc.2008.09.067
BindingDB Entry DOI: 10.7270/Q21Z448B
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50584608
PNG
(CHEMBL5071174)
Show SMILES N#Cc1c(nc(Nc2ccccc2)nc1-c1ccccc1)-c1ccco1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
2.20n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]HZ241385 from human A2AAR expressed in HeLa cell membrane incubated for 30 mins by microbeta trilux scintillation counter analysi...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01636
BindingDB Entry DOI: 10.7270/Q2M61Q5K
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM21173
PNG
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
2.20n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]DPCPX from human A1AR expressed in CHO cell membrane incubated for 60 mins by microbeta trilux scintillation counter analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01636
BindingDB Entry DOI: 10.7270/Q2M61Q5K
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50086182
PNG
(2-(4-(2,4-dioxo-1,3-dipropyl-2,3,4,5-tetrahydro-1H...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1
Show InChI InChI=1S/C25H26FN5O4/c1-3-13-30-23-21(24(33)31(14-4-2)25(30)34)28-22(29-23)16-5-11-19(12-6-16)35-15-20(32)27-18-9-7-17(26)8-10-18/h5-12H,3-4,13-15H2,1-2H3,(H,27,32)(H,28,29)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.24n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human adenosine A2B receptor


J Med Chem 49: 282-99 (2006)


Article DOI: 10.1021/jm0506221
BindingDB Entry DOI: 10.7270/Q29K4CF5
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50086168
PNG
(2-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C25H27N5O4/c1-3-14-29-23-21(24(32)30(15-4-2)25(29)33)27-22(28-23)17-10-12-19(13-11-17)34-16-20(31)26-18-8-6-5-7-9-18/h5-13H,3-4,14-16H2,1-2H3,(H,26,31)(H,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.24n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human adenosine A2A receptor


J Med Chem 49: 282-99 (2006)


Article DOI: 10.1021/jm0506221
BindingDB Entry DOI: 10.7270/Q29K4CF5
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50003223
PNG
(CHEMBL258978)
Show SMILES CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)N2CCc3ccccc3C2)cc1
Show InChI InChI=1S/C29H32N4O4/c1-3-14-32-25-17-24(30-27(25)28(35)33(15-4-2)29(32)36)21-9-11-23(12-10-21)37-19-26(34)31-16-13-20-7-5-6-8-22(20)18-31/h5-12,17,30H,3-4,13-16,18-19H2,1-2H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.30n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells


Bioorg Med Chem 16: 2852-69 (2008)

Checked by Author
Article DOI: 10.1016/j.bmc.2008.01.002
BindingDB Entry DOI: 10.7270/Q2G73FMZ
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50086184
PNG
(CHEMBL17003 | N-(4-Bromo-phenyl)-2-[4-(2,6-dioxo-1...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1
Show InChI InChI=1S/C25H26BrN5O4/c1-3-13-30-23-21(24(33)31(14-4-2)25(30)34)28-22(29-23)16-5-11-19(12-6-16)35-15-20(32)27-18-9-7-17(26)8-10-18/h5-12H,3-4,13-15H2,1-2H3,(H,27,32)(H,28,29)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.40n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human adenosine A2B receptor


J Med Chem 49: 282-99 (2006)


Article DOI: 10.1021/jm0506221
BindingDB Entry DOI: 10.7270/Q29K4CF5
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 1476 total )  |  Next  |  Last  >>
Jump to: