Found 3277 hits with Last Name = 'carotti' and Initial = 'a' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50001885
((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...)Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12 Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| Purchase
CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago
Curated by ChEMBL
| Assay Description
In vitro ability to displace [3H]ketanserin binding from 5-hydroxytryptamine 2A receptor in rat striatal membrane. |
J Med Chem 42: 2774-97 (1999)
Article DOI: 10.1021/jm981094e
BindingDB Entry DOI: 10.7270/Q2BG2RR8 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50258734
(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
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM82247
(8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...)Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.537 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago
Curated by ChEMBL
| Assay Description
In vitro ability to displace [3H]spiperone binding from dopamine receptor D2 in rat striatal membrane. |
J Med Chem 42: 2774-97 (1999)
Article DOI: 10.1021/jm981094e
BindingDB Entry DOI: 10.7270/Q2BG2RR8 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50258672
(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
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50375415
(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
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50409522
(CHEMBL109673)Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCC2CCc3sccc3C2=O)CC1 Show InChI InChI=1S/C22H24FNO2S/c23-18-4-1-15(2-5-18)21(25)17-8-12-24(13-9-17)11-7-16-3-6-20-19(22(16)26)10-14-27-20/h1-2,4-5,10,14,16-17H,3,6-9,11-13H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago
Curated by ChEMBL
| Assay Description
In vitro ability to displace [3H]ketanserin binding from 5-hydroxytryptamine 2A receptor in rat striatal membrane. |
J Med Chem 42: 2774-97 (1999)
Article DOI: 10.1021/jm981094e
BindingDB Entry DOI: 10.7270/Q2BG2RR8 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50375414
(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
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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
| 1.51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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
| 1.55 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50409510
(CHEMBL308480)Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC2CC(=O)c3ccccc3C2)CC1 Show InChI InChI=1S/C23H24FNO2/c24-20-7-5-17(6-8-20)23(27)18-9-11-25(12-10-18)15-16-13-19-3-1-2-4-21(19)22(26)14-16/h1-8,16,18H,9-15H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago
Curated by ChEMBL
| Assay Description
In vitro ability to displace [3H]ketanserin binding from 5-hydroxytryptamine 2A receptor in rat striatal membrane. |
J Med Chem 42: 2774-97 (1999)
Article DOI: 10.1021/jm981094e
BindingDB Entry DOI: 10.7270/Q2BG2RR8 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50472325
(CHEMBL554199)Show SMILES Cl.Fc1ccc2c(noc2c1)C1CCN(CCC2Cc3sccc3C2=O)CC1 Show InChI InChI=1S/C21H21FN2O2S.ClH/c22-15-1-2-16-18(12-15)26-23-20(16)13-3-7-24(8-4-13)9-5-14-11-19-17(21(14)25)6-10-27-19;/h1-2,6,10,12-14H,3-5,7-9,11H2;1H | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago
Curated by ChEMBL
| Assay Description
In vitro ability to displace [3H]ketanserin binding from 5-hydroxytryptamine 2A receptor in rat striatal membrane. |
J Med Chem 42: 2774-97 (1999)
Article DOI: 10.1021/jm981094e
BindingDB Entry DOI: 10.7270/Q2BG2RR8 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50258762
(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
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Amine oxidase [flavin-containing] A/B
(Homo sapiens (Human)) | BDBM50138500
(2-((E)-Styryl)-4,5-dihydro-1H-imidazole | 2-styryl...)Show InChI InChI=1S/C11H12N2/c1-2-4-10(5-3-1)6-7-11-12-8-9-13-11/h1-7H,8-9H2,(H,12,13)/b7-6+ | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Displacement of [3H]idazoxan from imidazoline receptor I-2 of rabbit kidney membranes |
J Med Chem 42: 2737-40 (1999)
Article DOI: 10.1021/jm991049m
BindingDB Entry DOI: 10.7270/Q2KW5JR7 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50021080
(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
| 1.91 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50375413
(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
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
((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
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50375411
(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
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50258707
(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
| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50086165
(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
| 2.14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50410651
(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
| 2.14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50240999
(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
| 2.19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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
| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 A1
(Homo sapiens (Human)) | BDBM50258620
(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
| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 A2a
(Homo sapiens (Human)) | BDBM50086168
(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
| 2.24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50086182
(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
| 2.24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50003223
(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
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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
| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50409497
(CHEMBL87717)Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCC2Cc3ccccc3C2=O)CC1 Show InChI InChI=1S/C23H24FNO2/c24-20-7-5-16(6-8-20)22(26)17-9-12-25(13-10-17)14-11-19-15-18-3-1-2-4-21(18)23(19)27/h1-8,17,19H,9-15H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago
Curated by ChEMBL
| Assay Description
In vitro ability to displace [3H]ketanserin binding from 5-hydroxytryptamine 2A receptor in rat striatal membrane. |
J Med Chem 42: 2774-97 (1999)
Article DOI: 10.1021/jm981094e
BindingDB Entry DOI: 10.7270/Q2BG2RR8 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50273312
(6-(4-(2-(4-benzylpiperazin-1-yl)-2-oxoethoxy)pheny...)Show SMILES CCCn1c2c(O)c([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)N2CCN(Cc3ccccc3)CC2)cc1 Show InChI InChI=1S/C31H37N5O5/c1-3-14-35-28-27(30(39)36(15-4-2)31(35)40)32-26(29(28)38)23-10-12-24(13-11-23)41-21-25(37)34-18-16-33(17-19-34)20-22-8-6-5-7-9-22/h5-13,32,38H,3-4,14-21H2,1-2H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50410646
(CHEMBL370378)Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1 Show InChI InChI=1S/C22H19BrN4O4/c1-26-18-11-17(25-20(18)21(29)27(2)22(26)30)13-3-9-16(10-4-13)31-12-19(28)24-15-7-5-14(23)6-8-15/h3-11,25H,12H2,1-2H3,(H,24,28) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50375417
(CHEMBL259857)Show SMILES CCCn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCC(CC2)c2ccccc2)cc1 Show InChI InChI=1S/C29H32N4O4/c1-3-15-33-25-18-24(30-27(25)28(35)31(2)29(33)36)22-9-11-23(12-10-22)37-19-26(34)32-16-13-21(14-17-32)20-7-5-4-6-8-20/h4-12,18,21,30H,3,13-17,19H2,1-2H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50375417
(CHEMBL259857)Show SMILES CCCn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCC(CC2)c2ccccc2)cc1 Show InChI InChI=1S/C29H32N4O4/c1-3-15-33-25-18-24(30-27(25)28(35)31(2)29(33)36)22-9-11-23(12-10-22)37-19-26(34)32-16-13-21(14-17-32)20-7-5-4-6-8-20/h4-12,18,21,30H,3,13-17,19H2,1-2H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50410646
(CHEMBL370378)Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1 Show InChI InChI=1S/C22H19BrN4O4/c1-26-18-11-17(25-20(18)21(29)27(2)22(26)30)13-3-9-16(10-4-13)31-12-19(28)24-15-7-5-14(23)6-8-15/h3-11,25H,12H2,1-2H3,(H,24,28) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.63 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50258620
(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
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50409515
(CHEMBL110948 | QF-0610B)Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCC2CCc3sccc3C2=O)CC1 Show InChI InChI=1S/C22H23FN2O2S/c23-16-2-3-17-19(13-16)27-24-21(17)14-5-9-25(10-6-14)11-7-15-1-4-20-18(22(15)26)8-12-28-20/h2-3,8,12-15H,1,4-7,9-11H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago
Curated by ChEMBL
| Assay Description
Compound was tested in vitro for its binding affinity towards 5-hydroxytryptamine 2A receptor from rat frontal cortex using [3H]-ketanserin as radiol... |
J Med Chem 42: 2774-97 (1999)
Article DOI: 10.1021/jm981094e
BindingDB Entry DOI: 10.7270/Q2BG2RR8 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50003209
(CHEMBL259360)Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCC(O)(CC2)c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C27H27ClN4O5/c1-30-22-15-21(29-24(22)25(34)31(2)26(30)35)17-3-9-20(10-4-17)37-16-23(33)32-13-11-27(36,12-14-32)18-5-7-19(28)8-6-18/h3-10,15,29,36H,11-14,16H2,1-2H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50375416
(CHEMBL260693)Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCN(CC2)c2cccc(Cl)c2)cc1 Show InChI InChI=1S/C26H26ClN5O4/c1-29-22-15-21(28-24(22)25(34)30(2)26(29)35)17-6-8-20(9-7-17)36-16-23(33)32-12-10-31(11-13-32)19-5-3-4-18(27)14-19/h3-9,14-15,28H,10-13,16H2,1-2H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50375416
(CHEMBL260693)Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCN(CC2)c2cccc(Cl)c2)cc1 Show InChI InChI=1S/C26H26ClN5O4/c1-29-22-15-21(28-24(22)25(34)30(2)26(29)35)17-6-8-20(9-7-17)36-16-23(33)32-12-10-31(11-13-32)19-5-3-4-18(27)14-19/h3-9,14-15,28H,10-13,16H2,1-2H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50410670
(CHEMBL199446)Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 Show InChI InChI=1S/C22H19FN4O4/c1-26-18-11-17(25-20(18)21(29)27(2)22(26)30)13-3-9-16(10-4-13)31-12-19(28)24-15-7-5-14(23)6-8-15/h3-11,25H,12H2,1-2H3,(H,24,28) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.02 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50086166
(CHEMBL275605 | N-Benzyl-2-[4-(2,6-dioxo-1,3-diprop...)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCc2ccccc2)cc1 Show InChI InChI=1S/C26H29N5O4/c1-3-14-30-24-22(25(33)31(15-4-2)26(30)34)28-23(29-24)19-10-12-20(13-11-19)35-17-21(32)27-16-18-8-6-5-7-9-18/h5-13H,3-4,14-17H2,1-2H3,(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
| 3.16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50410650
(CHEMBL382764)Show SMILES CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C26H27ClN4O4/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
| 3.16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50410686
(CHEMBL203037)Show SMILES CCCn1c(=O)n(C)c2cc([nH]c2c1=O)-c1ccc(OCC(=O)Nc2ccc(OC)nc2)cc1 Show InChI InChI=1S/C24H25N5O5/c1-4-11-29-23(31)22-19(28(2)24(29)32)12-18(27-22)15-5-8-17(9-6-15)34-14-20(30)26-16-7-10-21(33-3)25-13-16/h5-10,12-13,27H,4,11,14H2,1-3H3,(H,26,30) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50410647
(CHEMBL201773)Show SMILES CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCc2ccccc2)cc1 Show InChI InChI=1S/C27H30N4O4/c1-3-14-30-23-16-22(29-25(23)26(33)31(15-4-2)27(30)34)20-10-12-21(13-11-20)35-18-24(32)28-17-19-8-6-5-7-9-19/h5-13,16,29H,3-4,14-15,17-18H2,1-2H3,(H,28,32) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50258675
(CHEMBL468506 | [4-(2,3,4,5-Tetrahydro-1,3-dimethyl...)Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(COC(=O)Nc2ccco2)cc1 Show InChI InChI=1S/C20H18N4O5/c1-23-15-10-14(21-17(15)18(25)24(2)20(23)27)13-7-5-12(6-8-13)11-29-19(26)22-16-4-3-9-28-16/h3-10,21H,11H2,1-2H3,(H,22,26) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
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