Found 129 hits of Enzyme Inhibition Constant Data 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 |
|---|
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50233097
(8-(1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-...)Show SMILES FC(F)(F)c1cccc(Cn2cc(cn2)-c2nc3[nH]c(=O)n(CC4CC4)c(=O)c3[nH]2)c1 Show InChI InChI=1S/C20H17F3N6O2/c21-20(22,23)14-3-1-2-12(6-14)8-28-10-13(7-24-28)16-25-15-17(26-16)27-19(31)29(18(15)30)9-11-4-5-11/h1-3,6-7,10-11H,4-5,8-9H2,(H,25,26)(H,27,31) | 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 |
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)) | BDBM50233099
(8-(1-(3-fluorobenzyl)-1H-pyrazol-4-yl)-1-(cyclopro...)Show SMILES Fc1cccc(Cn2cc(cn2)-c2nc3[nH]c(=O)n(CC4CC4)c(=O)c3[nH]2)c1 Show InChI InChI=1S/C19H17FN6O2/c20-14-3-1-2-12(6-14)8-25-10-13(7-21-25)16-22-15-17(23-16)24-19(28)26(18(15)27)9-11-4-5-11/h1-3,6-7,10-11H,4-5,8-9H2,(H,22,23)(H,24,28) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50233088
(1-ethyl-8-(1-(3-(trifluoromethyl)benzyl)-1H-pyrazo...)Show SMILES CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C18H15F3N6O2/c1-2-27-16(28)13-15(25-17(27)29)24-14(23-13)11-7-22-26(9-11)8-10-4-3-5-12(6-10)18(19,20)21/h3-7,9H,2,8H2,1H3,(H,23,24)(H,25,29) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50233087
(8-(1-benzyl-1H-pyrazol-4-yl)-1-(cyclopropylmethyl)...)Show SMILES O=c1[nH]c2nc([nH]c2c(=O)n1CC1CC1)-c1cnn(Cc2ccccc2)c1 Show InChI InChI=1S/C19H18N6O2/c26-18-15-17(23-19(27)25(18)10-13-6-7-13)22-16(21-15)14-8-20-24(11-14)9-12-4-2-1-3-5-12/h1-5,8,11,13H,6-7,9-10H2,(H,21,22)(H,23,27) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50233086
(8-(1-((5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl)met...)Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2noc(n2)-c2ccc(Cl)cc2)c1 Show InChI InChI=1S/C20H17ClN8O3/c1-2-7-29-19(30)15-17(26-20(29)31)25-16(24-15)12-8-22-28(9-12)10-14-23-18(32-27-14)11-3-5-13(21)6-4-11/h3-6,8-9H,2,7,10H2,1H3,(H,24,25)(H,26,31) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50233089
(8-(1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-...)Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C19H17F3N6O2/c1-2-6-28-17(29)14-16(26-18(28)30)25-15(24-14)12-8-23-27(10-12)9-11-4-3-5-13(7-11)19(20,21)22/h3-5,7-8,10H,2,6,9H2,1H3,(H,24,25)(H,26,30) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50233081
(8-(1-benzyl-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purin...)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccccc2)c1 Show InChI InChI=1S/C21H24N6O2/c1-3-10-26-19-17(20(28)27(11-4-2)21(26)29)23-18(24-19)16-12-22-25(14-16)13-15-8-6-5-7-9-15/h5-9,12,14H,3-4,10-11,13H2,1-2H3,(H,23,24) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50233101
(8-(1-(3-fluorobenzyl)-1H-pyrazol-4-yl)-1-propyl-1H...)Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(F)c2)c1 Show InChI InChI=1S/C18H17FN6O2/c1-2-6-25-17(26)14-16(23-18(25)27)22-15(21-14)12-8-20-24(10-12)9-11-4-3-5-13(19)7-11/h3-5,7-8,10H,2,6,9H2,1H3,(H,21,22)(H,23,27) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50233090
(1-isobutyl-8-(1-((5-phenylisoxazol-3-yl)methyl)-1H...)Show SMILES CC(C)Cn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cc(on2)-c2ccccc2)c1 Show InChI InChI=1S/C22H21N7O3/c1-13(2)10-29-21(30)18-20(26-22(29)31)25-19(24-18)15-9-23-28(11-15)12-16-8-17(32-27-16)14-6-4-3-5-7-14/h3-9,11,13H,10,12H2,1-2H3,(H,24,25)(H,26,31) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50233106
(8-(1-benzyl-1H-pyrazol-4-yl)-1-isobutyl-1H-purine-...)Show SMILES CC(C)Cn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2ccccc2)c1 Show InChI InChI=1S/C19H20N6O2/c1-12(2)9-25-18(26)15-17(23-19(25)27)22-16(21-15)14-8-20-24(11-14)10-13-6-4-3-5-7-13/h3-8,11-12H,9-10H2,1-2H3,(H,21,22)(H,23,27) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50233103
(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
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50233078
(8-(1-benzyl-1H-pyrazol-4-yl)-1-propyl-1H-purine-2,...)Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2ccccc2)c1 Show InChI InChI=1S/C18H18N6O2/c1-2-8-24-17(25)14-16(22-18(24)26)21-15(20-14)13-9-19-23(11-13)10-12-6-4-3-5-7-12/h3-7,9,11H,2,8,10H2,1H3,(H,20,21)(H,22,26) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50233091
(8-(1-((5-phenylisoxazol-3-yl)methyl)-1H-pyrazol-4-...)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cc(on2)-c2ccccc2)c1 Show InChI InChI=1S/C24H25N7O3/c1-3-10-30-22-20(23(32)31(11-4-2)24(30)33)26-21(27-22)17-13-25-29(14-17)15-18-12-19(34-28-18)16-8-6-5-7-9-16/h5-9,12-14H,3-4,10-11,15H2,1-2H3,(H,26,27) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50233076
(8-(1-(3-fluorobenzyl)-1H-pyrazol-4-yl)-1,3-dipropy...)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cccc(F)c2)c1 Show InChI InChI=1S/C21H23FN6O2/c1-3-8-27-19-17(20(29)28(9-4-2)21(27)30)24-18(25-19)15-11-23-26(13-15)12-14-6-5-7-16(22)10-14/h5-7,10-11,13H,3-4,8-9,12H2,1-2H3,(H,24,25) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50233082
(8-(1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-...)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C22H23F3N6O2/c1-3-8-30-19-17(20(32)31(9-4-2)21(30)33)27-18(28-19)15-11-26-29(13-15)12-14-6-5-7-16(10-14)22(23,24)25/h5-7,10-11,13H,3-4,8-9,12H2,1-2H3,(H,27,28) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50233105
(8-(1-((5-phenyl-1,2,4-oxadiazol-3-yl)methyl)-1H-py...)Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2noc(n2)-c2ccccc2)c1 Show InChI InChI=1S/C20H18N8O3/c1-2-8-28-19(29)15-17(25-20(28)30)24-16(23-15)13-9-21-27(10-13)11-14-22-18(31-26-14)12-6-4-3-5-7-12/h3-7,9-10H,2,8,11H2,1H3,(H,23,24)(H,25,30) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50233100
(1-(cyclopropylmethyl)-8-(1-((5-(4-(trifluoromethyl...)Show SMILES FC(F)(F)c1ccc(cc1)-c1cc(Cn2cc(cn2)-c2nc3[nH]c(=O)n(CC4CC4)c(=O)c3[nH]2)no1 Show InChI InChI=1S/C23H18F3N7O3/c24-23(25,26)15-5-3-13(4-6-15)17-7-16(31-36-17)11-32-10-14(8-27-32)19-28-18-20(29-19)30-22(35)33(21(18)34)9-12-1-2-12/h3-8,10,12H,1-2,9,11H2,(H,28,29)(H,30,35) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50233104
(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
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50233102
(8-(1-(3-fluorobenzyl)-1H-pyrazol-4-yl)-1-butyl-1H-...)Show SMILES CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(F)c2)c1 Show InChI InChI=1S/C19H19FN6O2/c1-2-3-7-26-18(27)15-17(24-19(26)28)23-16(22-15)13-9-21-25(11-13)10-12-5-4-6-14(20)8-12/h4-6,8-9,11H,2-3,7,10H2,1H3,(H,22,23)(H,24,28) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50233109
(8-(1-((5-phenyl-1,2,4-oxadiazol-3-yl)methyl)-1H-py...)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2ccccc2)c1 Show InChI InChI=1S/C23H24N8O3/c1-3-10-30-20-18(22(32)31(11-4-2)23(30)33)26-19(27-20)16-12-24-29(13-16)14-17-25-21(34-28-17)15-8-6-5-7-9-15/h5-9,12-13H,3-4,10-11,14H2,1-2H3,(H,26,27) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50233107
(8-(1-((5-phenylisoxazol-3-yl)methyl)-1H-pyrazol-4-...)Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cc(on2)-c2ccccc2)c1 Show InChI InChI=1S/C21H19N7O3/c1-2-8-28-20(29)17-19(25-21(28)30)24-18(23-17)14-10-22-27(11-14)12-15-9-16(31-26-15)13-6-4-3-5-7-13/h3-7,9-11H,2,8,12H2,1H3,(H,23,24)(H,25,30) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50233083
(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
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50233080
(8-(1-(3-fluorobenzyl)-1H-pyrazol-4-yl)-1-isobutyl-...)Show SMILES CC(C)Cn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(F)c2)c1 Show InChI InChI=1S/C19H19FN6O2/c1-11(2)8-26-18(27)15-17(24-19(26)28)23-16(22-15)13-7-21-25(10-13)9-12-4-3-5-14(20)6-12/h3-7,10-11H,8-9H2,1-2H3,(H,22,23)(H,24,28) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50233096
(8-(1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-...)Show SMILES CC(C)Cn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C20H19F3N6O2/c1-11(2)8-29-18(30)15-17(27-19(29)31)26-16(25-15)13-7-24-28(10-13)9-12-4-3-5-14(6-12)20(21,22)23/h3-7,10-11H,8-9H2,1-2H3,(H,25,26)(H,27,31) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50233092
(8-(1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-...)Show SMILES CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C20H19F3N6O2/c1-2-3-7-29-18(30)15-17(27-19(29)31)26-16(25-15)13-9-24-28(11-13)10-12-5-4-6-14(8-12)20(21,22)23/h4-6,8-9,11H,2-3,7,10H2,1H3,(H,25,26)(H,27,31) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50233084
(8-(1-benzyl-1H-pyrazol-4-yl)-1-butyl-1H-purine-2,6...)Show SMILES CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2ccccc2)c1 Show InChI InChI=1S/C19H20N6O2/c1-2-3-9-25-18(26)15-17(23-19(25)27)22-16(21-15)14-10-20-24(12-14)11-13-7-5-4-6-8-13/h4-8,10,12H,2-3,9,11H2,1H3,(H,21,22)(H,23,27) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 34 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50233098
(8-(1-benzyl-1H-pyrazol-4-yl)-1-ethyl-1H-purine-2,6...)Show SMILES CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2ccccc2)c1 Show InChI InChI=1S/C17H16N6O2/c1-2-23-16(24)13-15(21-17(23)25)20-14(19-13)12-8-18-22(10-12)9-11-6-4-3-5-7-11/h3-8,10H,2,9H2,1H3,(H,19,20)(H,21,25) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 37 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50233093
(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
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 48 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 A3
(Homo sapiens (Human)) | BDBM50233076
(8-(1-(3-fluorobenzyl)-1H-pyrazol-4-yl)-1,3-dipropy...)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cccc(F)c2)c1 Show InChI InChI=1S/C21H23FN6O2/c1-3-8-27-19-17(20(29)28(9-4-2)21(27)30)24-18(25-19)15-11-23-26(13-15)12-14-6-5-7-16(22)10-14/h5-7,10-11,13H,3-4,8-9,12H2,1-2H3,(H,24,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 58 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-AB-MECA from human A3 receptor expressed in CHO cells |
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)) | BDBM50233094
(8-(1-(3-fluorobenzyl)-1H-pyrazol-4-yl)-1-ethyl-1H-...)Show SMILES CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(F)c2)c1 Show InChI InChI=1S/C17H15FN6O2/c1-2-24-16(25)13-15(22-17(24)26)21-14(20-13)11-7-19-23(9-11)8-10-4-3-5-12(18)6-10/h3-7,9H,2,8H2,1H3,(H,20,21)(H,22,26) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 73 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 A1
(Homo sapiens (Human)) | BDBM50233081
(8-(1-benzyl-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purin...)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccccc2)c1 Show InChI InChI=1S/C21H24N6O2/c1-3-10-26-19-17(20(28)27(11-4-2)21(26)29)23-18(24-19)16-12-22-25(14-16)13-15-8-6-5-7-9-15/h5-9,12,14H,3-4,10-11,13H2,1-2H3,(H,23,24) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 76 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 A2a
(Homo sapiens (Human)) | BDBM50233099
(8-(1-(3-fluorobenzyl)-1H-pyrazol-4-yl)-1-(cyclopro...)Show SMILES Fc1cccc(Cn2cc(cn2)-c2nc3[nH]c(=O)n(CC4CC4)c(=O)c3[nH]2)c1 Show InChI InChI=1S/C19H17FN6O2/c20-14-3-1-2-12(6-14)8-25-10-13(7-21-25)16-22-15-17(23-16)24-19(28)26(18(15)27)9-11-4-5-11/h1-3,6-7,10-11H,4-5,8-9H2,(H,22,23)(H,24,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 A3
(Homo sapiens (Human)) | BDBM50233084
(8-(1-benzyl-1H-pyrazol-4-yl)-1-butyl-1H-purine-2,6...)Show SMILES CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2ccccc2)c1 Show InChI InChI=1S/C19H20N6O2/c1-2-3-9-25-18(26)15-17(23-19(25)27)22-16(21-15)14-10-20-24(12-14)11-13-7-5-4-6-8-13/h4-8,10,12H,2-3,9,11H2,1H3,(H,21,22)(H,23,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-AB-MECA from human A3 receptor expressed in CHO cells |
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)) | BDBM50233078
(8-(1-benzyl-1H-pyrazol-4-yl)-1-propyl-1H-purine-2,...)Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2ccccc2)c1 Show InChI InChI=1S/C18H18N6O2/c1-2-8-24-17(25)14-16(22-18(24)26)21-15(20-14)13-9-19-23(11-13)10-12-6-4-3-5-7-12/h3-7,9,11H,2,8,10H2,1H3,(H,20,21)(H,22,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-AB-MECA from human A3 receptor expressed in CHO cells |
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)) | BDBM50233082
(8-(1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-...)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C22H23F3N6O2/c1-3-8-30-19-17(20(32)31(9-4-2)21(30)33)27-18(28-19)15-11-26-29(13-15)12-14-6-5-7-16(10-14)22(23,24)25/h5-7,10-11,13H,3-4,8-9,12H2,1-2H3,(H,27,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-AB-MECA from human A3 receptor expressed in CHO cells |
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)) | BDBM50233101
(8-(1-(3-fluorobenzyl)-1H-pyrazol-4-yl)-1-propyl-1H...)Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(F)c2)c1 Show InChI InChI=1S/C18H17FN6O2/c1-2-6-25-17(26)14-16(23-18(25)27)22-15(21-14)12-8-20-24(10-12)9-11-4-3-5-13(19)7-11/h3-5,7-8,10H,2,6,9H2,1H3,(H,21,22)(H,23,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-AB-MECA from human A3 receptor expressed in CHO cells |
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)) | BDBM50233082
(8-(1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-...)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C22H23F3N6O2/c1-3-8-30-19-17(20(32)31(9-4-2)21(30)33)27-18(28-19)15-11-26-29(13-15)12-14-6-5-7-16(10-14)22(23,24)25/h5-7,10-11,13H,3-4,8-9,12H2,1-2H3,(H,27,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 A2b
(Homo sapiens (Human)) | BDBM50233079
(8-(1-((5-(4-chlorophenyl)isoxazol-3-yl)methyl)-1H-...)Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cc(on2)-c2ccc(Cl)cc2)c1 Show InChI InChI=1S/C21H18ClN7O3/c1-2-7-29-20(30)17-19(26-21(29)31)25-18(24-17)13-9-23-28(10-13)11-15-8-16(32-27-15)12-3-5-14(22)6-4-12/h3-6,8-10H,2,7,11H2,1H3,(H,24,25)(H,26,31) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 A1
(Homo sapiens (Human)) | BDBM50233076
(8-(1-(3-fluorobenzyl)-1H-pyrazol-4-yl)-1,3-dipropy...)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cccc(F)c2)c1 Show InChI InChI=1S/C21H23FN6O2/c1-3-8-27-19-17(20(29)28(9-4-2)21(27)30)24-18(25-19)15-11-23-26(13-15)12-14-6-5-7-16(22)10-14/h5-7,10-11,13H,3-4,8-9,12H2,1-2H3,(H,24,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50233081
(8-(1-benzyl-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purin...)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccccc2)c1 Show InChI InChI=1S/C21H24N6O2/c1-3-10-26-19-17(20(28)27(11-4-2)21(26)29)23-18(24-19)16-12-22-25(14-16)13-15-8-6-5-7-9-15/h5-9,12,14H,3-4,10-11,13H2,1-2H3,(H,23,24) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| 170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-AB-MECA from human A3 receptor expressed in CHO cells |
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)) | BDBM50233087
(8-(1-benzyl-1H-pyrazol-4-yl)-1-(cyclopropylmethyl)...)Show SMILES O=c1[nH]c2nc([nH]c2c(=O)n1CC1CC1)-c1cnn(Cc2ccccc2)c1 Show InChI InChI=1S/C19H18N6O2/c26-18-15-17(23-19(27)25(18)10-13-6-7-13)22-16(21-15)14-8-20-24(11-14)9-12-4-2-1-3-5-12/h1-5,8,11,13H,6-7,9-10H2,(H,21,22)(H,23,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-AB-MECA from human A3 receptor expressed in CHO cells |
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)) | BDBM50233099
(8-(1-(3-fluorobenzyl)-1H-pyrazol-4-yl)-1-(cyclopro...)Show SMILES Fc1cccc(Cn2cc(cn2)-c2nc3[nH]c(=O)n(CC4CC4)c(=O)c3[nH]2)c1 Show InChI InChI=1S/C19H17FN6O2/c20-14-3-1-2-12(6-14)8-25-10-13(7-21-25)16-22-15-17(23-16)24-19(28)26(18(15)27)9-11-4-5-11/h1-3,6-7,10-11H,4-5,8-9H2,(H,22,23)(H,24,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 A2a
(Homo sapiens (Human)) | BDBM50233076
(8-(1-(3-fluorobenzyl)-1H-pyrazol-4-yl)-1,3-dipropy...)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cccc(F)c2)c1 Show InChI InChI=1S/C21H23FN6O2/c1-3-8-27-19-17(20(29)28(9-4-2)21(27)30)24-18(25-19)15-11-23-26(13-15)12-14-6-5-7-16(22)10-14/h5-7,10-11,13H,3-4,8-9,12H2,1-2H3,(H,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 A3
(Homo sapiens (Human)) | BDBM50233102
(8-(1-(3-fluorobenzyl)-1H-pyrazol-4-yl)-1-butyl-1H-...)Show SMILES CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(F)c2)c1 Show InChI InChI=1S/C19H19FN6O2/c1-2-3-7-26-18(27)15-17(24-19(26)28)23-16(22-15)13-9-21-25(11-13)10-12-5-4-6-14(20)8-12/h4-6,8-9,11H,2-3,7,10H2,1H3,(H,22,23)(H,24,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 270 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-AB-MECA from human A3 receptor expressed in CHO cells |
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 A2a
(Homo sapiens (Human)) | BDBM50233081
(8-(1-benzyl-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purin...)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccccc2)c1 Show InChI InChI=1S/C21H24N6O2/c1-3-10-26-19-17(20(28)27(11-4-2)21(26)29)23-18(24-19)16-12-22-25(14-16)13-15-8-6-5-7-9-15/h5-9,12,14H,3-4,10-11,13H2,1-2H3,(H,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 290 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 A2a
(Homo sapiens (Human)) | BDBM50233082
(8-(1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-...)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C22H23F3N6O2/c1-3-8-30-19-17(20(32)31(9-4-2)21(30)33)27-18(28-19)15-11-26-29(13-15)12-14-6-5-7-16(10-14)22(23,24)25/h5-7,10-11,13H,3-4,8-9,12H2,1-2H3,(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
| 400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 A2a
(Homo sapiens (Human)) | BDBM50233091
(8-(1-((5-phenylisoxazol-3-yl)methyl)-1H-pyrazol-4-...)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cc(on2)-c2ccccc2)c1 Show InChI InChI=1S/C24H25N7O3/c1-3-10-30-22-20(23(32)31(11-4-2)24(30)33)26-21(27-22)17-13-25-29(14-17)15-18-12-19(34-28-18)16-8-6-5-7-9-16/h5-9,12-14H,3-4,10-11,15H2,1-2H3,(H,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 420 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 A3
(Homo sapiens (Human)) | BDBM50233109
(8-(1-((5-phenyl-1,2,4-oxadiazol-3-yl)methyl)-1H-py...)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2ccccc2)c1 Show InChI InChI=1S/C23H24N8O3/c1-3-10-30-20-18(22(32)31(11-4-2)23(30)33)26-19(27-20)16-12-24-29(13-16)14-17-25-21(34-28-17)15-8-6-5-7-9-15/h5-9,12-13H,3-4,10-11,14H2,1-2H3,(H,26,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 630 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-AB-MECA from human A3 receptor expressed in CHO cells |
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)) | BDBM50233089
(8-(1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-...)Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C19H17F3N6O2/c1-2-6-28-17(29)14-16(26-18(28)30)25-15(24-14)12-8-23-27(10-12)9-11-4-3-5-13(7-11)19(20,21)22/h3-5,7-8,10H,2,6,9H2,1H3,(H,24,25)(H,26,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-AB-MECA from human A3 receptor expressed in CHO cells |
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)) | BDBM50233109
(8-(1-((5-phenyl-1,2,4-oxadiazol-3-yl)methyl)-1H-py...)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2ccccc2)c1 Show InChI InChI=1S/C23H24N8O3/c1-3-10-30-20-18(22(32)31(11-4-2)23(30)33)26-19(27-20)16-12-24-29(13-16)14-17-25-21(34-28-17)15-8-6-5-7-9-15/h5-9,12-13H,3-4,10-11,14H2,1-2H3,(H,26,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50233097
(8-(1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-...)Show SMILES FC(F)(F)c1cccc(Cn2cc(cn2)-c2nc3[nH]c(=O)n(CC4CC4)c(=O)c3[nH]2)c1 Show InChI InChI=1S/C20H17F3N6O2/c21-20(22,23)14-3-1-2-12(6-14)8-28-10-13(7-24-28)16-25-15-17(26-16)27-19(31)29(18(15)30)9-11-4-5-11/h1-3,6-7,10-11H,4-5,8-9H2,(H,25,26)(H,27,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-AB-MECA from human A3 receptor expressed in CHO cells |
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)) | BDBM50233106
(8-(1-benzyl-1H-pyrazol-4-yl)-1-isobutyl-1H-purine-...)Show SMILES CC(C)Cn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2ccccc2)c1 Show InChI InChI=1S/C19H20N6O2/c1-12(2)9-25-18(26)15-17(23-19(25)27)22-16(21-15)14-8-20-24(11-14)10-13-6-4-3-5-7-13/h3-8,11-12H,9-10H2,1-2H3,(H,21,22)(H,23,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-AB-MECA from human A3 receptor expressed in CHO cells |
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)) | BDBM50233104
(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
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50233098
(8-(1-benzyl-1H-pyrazol-4-yl)-1-ethyl-1H-purine-2,6...)Show SMILES CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2ccccc2)c1 Show InChI InChI=1S/C17H16N6O2/c1-2-23-16(24)13-15(21-17(23)25)20-14(19-13)12-8-18-22(10-12)9-11-6-4-3-5-7-11/h3-8,10H,2,9H2,1H3,(H,19,20)(H,21,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-AB-MECA from human A3 receptor expressed in CHO cells |
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)) | BDBM50233091
(8-(1-((5-phenylisoxazol-3-yl)methyl)-1H-pyrazol-4-...)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cc(on2)-c2ccccc2)c1 Show InChI InChI=1S/C24H25N7O3/c1-3-10-30-22-20(23(32)31(11-4-2)24(30)33)26-21(27-22)17-13-25-29(14-17)15-18-12-19(34-28-18)16-8-6-5-7-9-16/h5-9,12-14H,3-4,10-11,15H2,1-2H3,(H,26,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50233078
(8-(1-benzyl-1H-pyrazol-4-yl)-1-propyl-1H-purine-2,...)Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2ccccc2)c1 Show InChI InChI=1S/C18H18N6O2/c1-2-8-24-17(25)14-16(22-18(24)26)21-15(20-14)13-9-19-23(11-13)10-12-6-4-3-5-7-12/h3-7,9,11H,2,8,10H2,1H3,(H,20,21)(H,22,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50233080
(8-(1-(3-fluorobenzyl)-1H-pyrazol-4-yl)-1-isobutyl-...)Show SMILES CC(C)Cn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(F)c2)c1 Show InChI InChI=1S/C19H19FN6O2/c1-11(2)8-26-18(27)15-17(24-19(26)28)23-16(22-15)13-7-21-25(10-13)9-12-4-3-5-14(20)6-12/h3-7,10-11H,8-9H2,1-2H3,(H,22,23)(H,24,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-AB-MECA from human A3 receptor expressed in CHO cells |
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 A2a
(Homo sapiens (Human)) | BDBM50233101
(8-(1-(3-fluorobenzyl)-1H-pyrazol-4-yl)-1-propyl-1H...)Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(F)c2)c1 Show InChI InChI=1S/C18H17FN6O2/c1-2-6-25-17(26)14-16(23-18(25)27)22-15(21-14)12-8-20-24(10-12)9-11-4-3-5-13(19)7-11/h3-5,7-8,10H,2,6,9H2,1H3,(H,21,22)(H,23,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.73E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50233101
(8-(1-(3-fluorobenzyl)-1H-pyrazol-4-yl)-1-propyl-1H...)Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(F)c2)c1 Show InChI InChI=1S/C18H17FN6O2/c1-2-6-25-17(26)14-16(23-18(25)27)22-15(21-14)12-8-20-24(10-12)9-11-4-3-5-13(19)7-11/h3-5,7-8,10H,2,6,9H2,1H3,(H,21,22)(H,23,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50233091
(8-(1-((5-phenylisoxazol-3-yl)methyl)-1H-pyrazol-4-...)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cc(on2)-c2ccccc2)c1 Show InChI InChI=1S/C24H25N7O3/c1-3-10-30-22-20(23(32)31(11-4-2)24(30)33)26-21(27-22)17-13-25-29(14-17)15-18-12-19(34-28-18)16-8-6-5-7-9-16/h5-9,12-14H,3-4,10-11,15H2,1-2H3,(H,26,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-AB-MECA from human A3 receptor expressed in CHO cells |
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 A2a
(Homo sapiens (Human)) | BDBM50233109
(8-(1-((5-phenyl-1,2,4-oxadiazol-3-yl)methyl)-1H-py...)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2ccccc2)c1 Show InChI InChI=1S/C23H24N8O3/c1-3-10-30-20-18(22(32)31(11-4-2)23(30)33)26-19(27-20)16-12-24-29(13-16)14-17-25-21(34-28-17)15-8-6-5-7-9-15/h5-9,12-13H,3-4,10-11,14H2,1-2H3,(H,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 A3
(Homo sapiens (Human)) | BDBM50233094
(8-(1-(3-fluorobenzyl)-1H-pyrazol-4-yl)-1-ethyl-1H-...)Show SMILES CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(F)c2)c1 Show InChI InChI=1S/C17H15FN6O2/c1-2-24-16(25)13-15(22-17(24)26)21-14(20-13)11-7-19-23(9-11)8-10-4-3-5-12(18)6-10/h3-7,9H,2,8H2,1H3,(H,20,21)(H,22,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.12E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-AB-MECA from human A3 receptor expressed in CHO cells |
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 A2a
(Homo sapiens (Human)) | BDBM50233087
(8-(1-benzyl-1H-pyrazol-4-yl)-1-(cyclopropylmethyl)...)Show SMILES O=c1[nH]c2nc([nH]c2c(=O)n1CC1CC1)-c1cnn(Cc2ccccc2)c1 Show InChI InChI=1S/C19H18N6O2/c26-18-15-17(23-19(27)25(18)10-13-6-7-13)22-16(21-15)14-8-20-24(11-14)9-12-4-2-1-3-5-12/h1-5,8,11,13H,6-7,9-10H2,(H,21,22)(H,23,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.76E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50233087
(8-(1-benzyl-1H-pyrazol-4-yl)-1-(cyclopropylmethyl)...)Show SMILES O=c1[nH]c2nc([nH]c2c(=O)n1CC1CC1)-c1cnn(Cc2ccccc2)c1 Show InChI InChI=1S/C19H18N6O2/c26-18-15-17(23-19(27)25(18)10-13-6-7-13)22-16(21-15)14-8-20-24(11-14)9-12-4-2-1-3-5-12/h1-5,8,11,13H,6-7,9-10H2,(H,21,22)(H,23,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.29E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 A2a
(Homo sapiens (Human)) | BDBM50233084
(8-(1-benzyl-1H-pyrazol-4-yl)-1-butyl-1H-purine-2,6...)Show SMILES CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2ccccc2)c1 Show InChI InChI=1S/C19H20N6O2/c1-2-3-9-25-18(26)15-17(23-19(25)27)22-16(21-15)14-10-20-24(12-14)11-13-7-5-4-6-8-13/h4-8,10,12H,2-3,9,11H2,1H3,(H,21,22)(H,23,27) | 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
| 3.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50233105
(8-(1-((5-phenyl-1,2,4-oxadiazol-3-yl)methyl)-1H-py...)Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2noc(n2)-c2ccccc2)c1 Show InChI InChI=1S/C20H18N8O3/c1-2-8-28-19(29)15-17(25-20(28)30)24-16(23-15)13-9-21-27(10-13)11-14-22-18(31-26-14)12-6-4-3-5-7-12/h3-7,9-10H,2,8,11H2,1H3,(H,23,24)(H,25,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 A2a
(Homo sapiens (Human)) | BDBM50233098
(8-(1-benzyl-1H-pyrazol-4-yl)-1-ethyl-1H-purine-2,6...)Show SMILES CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2ccccc2)c1 Show InChI InChI=1S/C17H16N6O2/c1-2-23-16(24)13-15(21-17(23)25)20-14(19-13)12-8-18-22(10-12)9-11-6-4-3-5-7-11/h3-8,10H,2,9H2,1H3,(H,19,20)(H,21,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50233102
(8-(1-(3-fluorobenzyl)-1H-pyrazol-4-yl)-1-butyl-1H-...)Show SMILES CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(F)c2)c1 Show InChI InChI=1S/C19H19FN6O2/c1-2-3-7-26-18(27)15-17(24-19(26)28)23-16(22-15)13-9-21-25(11-13)10-12-5-4-6-14(20)8-12/h4-6,8-9,11H,2-3,7,10H2,1H3,(H,22,23)(H,24,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 A2a
(Homo sapiens (Human)) | BDBM50233107
(8-(1-((5-phenylisoxazol-3-yl)methyl)-1H-pyrazol-4-...)Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cc(on2)-c2ccccc2)c1 Show InChI InChI=1S/C21H19N7O3/c1-2-8-28-20(29)17-19(25-21(28)30)24-18(23-17)14-10-22-27(11-14)12-15-9-16(31-26-15)13-6-4-3-5-7-13/h3-7,9-11H,2,8,12H2,1H3,(H,23,24)(H,25,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 A2a
(Homo sapiens (Human)) | BDBM50233097
(8-(1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-...)Show SMILES FC(F)(F)c1cccc(Cn2cc(cn2)-c2nc3[nH]c(=O)n(CC4CC4)c(=O)c3[nH]2)c1 Show InChI InChI=1S/C20H17F3N6O2/c21-20(22,23)14-3-1-2-12(6-14)8-28-10-13(7-24-28)16-25-15-17(26-16)27-19(31)29(18(15)30)9-11-4-5-11/h1-3,6-7,10-11H,4-5,8-9H2,(H,25,26)(H,27,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 A2a
(Homo sapiens (Human)) | BDBM50233105
(8-(1-((5-phenyl-1,2,4-oxadiazol-3-yl)methyl)-1H-py...)Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2noc(n2)-c2ccccc2)c1 Show InChI InChI=1S/C20H18N8O3/c1-2-8-28-19(29)15-17(25-20(28)30)24-16(23-15)13-9-21-27(10-13)11-14-22-18(31-26-14)12-6-4-3-5-7-12/h3-7,9-10H,2,8,11H2,1H3,(H,23,24)(H,25,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 A2a
(Homo sapiens (Human)) | BDBM50233079
(8-(1-((5-(4-chlorophenyl)isoxazol-3-yl)methyl)-1H-...)Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cc(on2)-c2ccc(Cl)cc2)c1 Show InChI InChI=1S/C21H18ClN7O3/c1-2-7-29-20(30)17-19(26-21(29)31)25-18(24-17)13-9-23-28(10-13)11-15-8-16(32-27-15)12-3-5-14(22)6-4-12/h3-6,8-10H,2,7,11H2,1H3,(H,24,25)(H,26,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 A2a
(Homo sapiens (Human)) | BDBM50233094
(8-(1-(3-fluorobenzyl)-1H-pyrazol-4-yl)-1-ethyl-1H-...)Show SMILES CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(F)c2)c1 Show InChI InChI=1S/C17H15FN6O2/c1-2-24-16(25)13-15(22-17(24)26)21-14(20-13)11-7-19-23(9-11)8-10-4-3-5-12(18)6-10/h3-7,9H,2,8H2,1H3,(H,20,21)(H,22,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 A2a
(Homo sapiens (Human)) | BDBM50233104
(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
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 A2a
(Homo sapiens (Human)) | BDBM50233089
(8-(1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-...)Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C19H17F3N6O2/c1-2-6-28-17(29)14-16(26-18(28)30)25-15(24-14)12-8-23-27(10-12)9-11-4-3-5-13(7-11)19(20,21)22/h3-5,7-8,10H,2,6,9H2,1H3,(H,24,25)(H,26,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 A2a
(Homo sapiens (Human)) | BDBM50233077
(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
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 A2a
(Homo sapiens (Human)) | BDBM50233086
(8-(1-((5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl)met...)Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2noc(n2)-c2ccc(Cl)cc2)c1 Show InChI InChI=1S/C20H17ClN8O3/c1-2-7-29-19(30)15-17(26-20(29)31)25-16(24-15)12-8-22-28(9-12)10-14-23-18(32-27-14)11-3-5-13(21)6-4-11/h3-6,8-9H,2,7,10H2,1H3,(H,24,25)(H,26,31) | 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
| >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 A2a
(Homo sapiens (Human)) | BDBM50233093
(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
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 A2a
(Homo sapiens (Human)) | BDBM50233103
(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
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 A2a
(Homo sapiens (Human)) | BDBM50233080
(8-(1-(3-fluorobenzyl)-1H-pyrazol-4-yl)-1-isobutyl-...)Show SMILES CC(C)Cn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(F)c2)c1 Show InChI InChI=1S/C19H19FN6O2/c1-11(2)8-26-18(27)15-17(24-19(26)28)23-16(22-15)13-7-21-25(10-13)9-12-4-3-5-14(20)6-12/h3-7,10-11H,8-9H2,1-2H3,(H,22,23)(H,24,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 A2a
(Homo sapiens (Human)) | BDBM50233092
(8-(1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-...)Show SMILES CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C20H19F3N6O2/c1-2-3-7-29-18(30)15-17(27-19(29)31)26-16(25-15)13-9-24-28(11-13)10-12-5-4-6-14(8-12)20(21,22)23/h4-6,8-9,11H,2-3,7,10H2,1H3,(H,25,26)(H,27,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 A2a
(Homo sapiens (Human)) | BDBM50233096
(8-(1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-...)Show SMILES CC(C)Cn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C20H19F3N6O2/c1-11(2)8-29-18(30)15-17(27-19(29)31)26-16(25-15)13-7-24-28(10-13)9-12-4-3-5-14(6-12)20(21,22)23/h3-7,10-11H,8-9H2,1-2H3,(H,25,26)(H,27,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 A2a
(Homo sapiens (Human)) | BDBM50233106
(8-(1-benzyl-1H-pyrazol-4-yl)-1-isobutyl-1H-purine-...)Show SMILES CC(C)Cn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2ccccc2)c1 Show InChI InChI=1S/C19H20N6O2/c1-12(2)9-25-18(26)15-17(23-19(25)27)22-16(21-15)14-8-20-24(11-14)10-13-6-4-3-5-7-13/h3-8,11-12H,9-10H2,1-2H3,(H,21,22)(H,23,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 A2a
(Homo sapiens (Human)) | BDBM50233078
(8-(1-benzyl-1H-pyrazol-4-yl)-1-propyl-1H-purine-2,...)Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2ccccc2)c1 Show InChI InChI=1S/C18H18N6O2/c1-2-8-24-17(25)14-16(22-18(24)26)21-15(20-14)13-9-19-23(11-13)10-12-6-4-3-5-7-12/h3-7,9,11H,2,8,10H2,1H3,(H,20,21)(H,22,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 A2a
(Homo sapiens (Human)) | BDBM50233102
(8-(1-(3-fluorobenzyl)-1H-pyrazol-4-yl)-1-butyl-1H-...)Show SMILES CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(F)c2)c1 Show InChI InChI=1S/C19H19FN6O2/c1-2-3-7-26-18(27)15-17(24-19(26)28)23-16(22-15)13-9-21-25(11-13)10-12-5-4-6-14(20)8-12/h4-6,8-9,11H,2-3,7,10H2,1H3,(H,22,23)(H,24,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 A2a
(Homo sapiens (Human)) | BDBM50233083
(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
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 A2a
(Homo sapiens (Human)) | BDBM50233088
(1-ethyl-8-(1-(3-(trifluoromethyl)benzyl)-1H-pyrazo...)Show SMILES CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C18H15F3N6O2/c1-2-27-16(28)13-15(25-17(27)29)24-14(23-13)11-7-22-26(9-11)8-10-4-3-5-12(6-10)18(19,20)21/h3-7,9H,2,8H2,1H3,(H,23,24)(H,25,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 A2a
(Homo sapiens (Human)) | BDBM50233090
(1-isobutyl-8-(1-((5-phenylisoxazol-3-yl)methyl)-1H...)Show SMILES CC(C)Cn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cc(on2)-c2ccccc2)c1 Show InChI InChI=1S/C22H21N7O3/c1-13(2)10-29-21(30)18-20(26-22(29)31)25-19(24-18)15-9-23-28(11-15)12-16-8-17(32-27-16)14-6-4-3-5-7-14/h3-9,11,13H,10,12H2,1-2H3,(H,24,25)(H,26,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 A2a
(Homo sapiens (Human)) | BDBM50233100
(1-(cyclopropylmethyl)-8-(1-((5-(4-(trifluoromethyl...)Show SMILES FC(F)(F)c1ccc(cc1)-c1cc(Cn2cc(cn2)-c2nc3[nH]c(=O)n(CC4CC4)c(=O)c3[nH]2)no1 Show InChI InChI=1S/C23H18F3N7O3/c24-23(25,26)15-5-3-13(4-6-15)17-7-16(31-36-17)11-32-10-14(8-27-32)19-28-18-20(29-19)30-22(35)33(21(18)34)9-12-1-2-12/h3-8,10,12H,1-2,9,11H2,(H,28,29)(H,30,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50233084
(8-(1-benzyl-1H-pyrazol-4-yl)-1-butyl-1H-purine-2,6...)Show SMILES CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2ccccc2)c1 Show InChI InChI=1S/C19H20N6O2/c1-2-3-9-25-18(26)15-17(23-19(25)27)22-16(21-15)14-10-20-24(12-14)11-13-7-5-4-6-8-13/h4-8,10,12H,2-3,9,11H2,1H3,(H,21,22)(H,23,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 5.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50233098
(8-(1-benzyl-1H-pyrazol-4-yl)-1-ethyl-1H-purine-2,6...)Show SMILES CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2ccccc2)c1 Show InChI InChI=1S/C17H16N6O2/c1-2-23-16(24)13-15(21-17(23)25)20-14(19-13)12-8-18-22(10-12)9-11-6-4-3-5-7-11/h3-8,10H,2,9H2,1H3,(H,19,20)(H,21,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50233100
(1-(cyclopropylmethyl)-8-(1-((5-(4-(trifluoromethyl...)Show SMILES FC(F)(F)c1ccc(cc1)-c1cc(Cn2cc(cn2)-c2nc3[nH]c(=O)n(CC4CC4)c(=O)c3[nH]2)no1 Show InChI InChI=1S/C23H18F3N7O3/c24-23(25,26)15-5-3-13(4-6-15)17-7-16(31-36-17)11-32-10-14(8-27-32)19-28-18-20(29-19)30-22(35)33(21(18)34)9-12-1-2-12/h3-8,10,12H,1-2,9,11H2,(H,28,29)(H,30,35) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 A2b
(Homo sapiens (Human)) | BDBM50233111
(8-(1-benzyl-1H-pyrazol-4-yl)-3-methyl-1H-purine-2,...)Show SMILES Cn1c2nc([nH]c2c(=O)[nH]c1=O)-c1cnn(Cc2ccccc2)c1 Show InChI InChI=1S/C16H14N6O2/c1-21-14-12(15(23)20-16(21)24)18-13(19-14)11-7-17-22(9-11)8-10-5-3-2-4-6-10/h2-7,9H,8H2,1H3,(H,18,19)(H,20,23,24) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 A1
(Homo sapiens (Human)) | BDBM50233077
(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
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 A2b
(Homo sapiens (Human)) | BDBM50233095
(8-(1-benzyl-1H-pyrazol-4-yl)-3-propyl-1H-purine-2,...)Show SMILES CCCn1c2nc([nH]c2c(=O)[nH]c1=O)-c1cnn(Cc2ccccc2)c1 Show InChI InChI=1S/C18H18N6O2/c1-2-8-24-16-14(17(25)22-18(24)26)20-15(21-16)13-9-19-23(11-13)10-12-6-4-3-5-7-12/h3-7,9,11H,2,8,10H2,1H3,(H,20,21)(H,22,25,26) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 A1
(Homo sapiens (Human)) | BDBM50233080
(8-(1-(3-fluorobenzyl)-1H-pyrazol-4-yl)-1-isobutyl-...)Show SMILES CC(C)Cn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(F)c2)c1 Show InChI InChI=1S/C19H19FN6O2/c1-11(2)8-26-18(27)15-17(24-19(26)28)23-16(22-15)13-7-21-25(10-13)9-12-4-3-5-14(20)6-12/h3-7,10-11H,8-9H2,1-2H3,(H,22,23)(H,24,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50233079
(8-(1-((5-(4-chlorophenyl)isoxazol-3-yl)methyl)-1H-...)Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cc(on2)-c2ccc(Cl)cc2)c1 Show InChI InChI=1S/C21H18ClN7O3/c1-2-7-29-20(30)17-19(26-21(29)31)25-18(24-17)13-9-23-28(10-13)11-15-8-16(32-27-15)12-3-5-14(22)6-4-12/h3-6,8-10H,2,7,11H2,1H3,(H,24,25)(H,26,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50233092
(8-(1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-...)Show SMILES CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C20H19F3N6O2/c1-2-3-7-29-18(30)15-17(27-19(29)31)26-16(25-15)13-9-24-28(11-13)10-12-5-4-6-14(8-12)20(21,22)23/h4-6,8-9,11H,2-3,7,10H2,1H3,(H,25,26)(H,27,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 A2b
(Homo sapiens (Human)) | BDBM50233112
(8-(1-benzyl-1H-pyrazol-4-yl)-3-ethyl-1H-purine-2,6...)Show SMILES CCn1c2nc([nH]c2c(=O)[nH]c1=O)-c1cnn(Cc2ccccc2)c1 Show InChI InChI=1S/C17H16N6O2/c1-2-23-15-13(16(24)21-17(23)25)19-14(20-15)12-8-18-22(10-12)9-11-6-4-3-5-7-11/h3-8,10H,2,9H2,1H3,(H,19,20)(H,21,24,25) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 A1
(Homo sapiens (Human)) | BDBM50233106
(8-(1-benzyl-1H-pyrazol-4-yl)-1-isobutyl-1H-purine-...)Show SMILES CC(C)Cn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2ccccc2)c1 Show InChI InChI=1S/C19H20N6O2/c1-12(2)9-25-18(26)15-17(23-19(25)27)22-16(21-15)14-8-20-24(11-14)10-13-6-4-3-5-7-13/h3-8,11-12H,9-10H2,1-2H3,(H,21,22)(H,23,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50233107
(8-(1-((5-phenylisoxazol-3-yl)methyl)-1H-pyrazol-4-...)Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cc(on2)-c2ccccc2)c1 Show InChI InChI=1S/C21H19N7O3/c1-2-8-28-20(29)17-19(25-21(28)30)24-18(23-17)14-10-22-27(11-14)12-15-9-16(31-26-15)13-6-4-3-5-7-13/h3-7,9-11H,2,8,12H2,1H3,(H,23,24)(H,25,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50233090
(1-isobutyl-8-(1-((5-phenylisoxazol-3-yl)methyl)-1H...)Show SMILES CC(C)Cn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cc(on2)-c2ccccc2)c1 Show InChI InChI=1S/C22H21N7O3/c1-13(2)10-29-21(30)18-20(26-22(29)31)25-19(24-18)15-9-23-28(11-15)12-16-8-17(32-27-16)14-6-4-3-5-7-14/h3-9,11,13H,10,12H2,1-2H3,(H,24,25)(H,26,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50233093
(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
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50233094
(8-(1-(3-fluorobenzyl)-1H-pyrazol-4-yl)-1-ethyl-1H-...)Show SMILES CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(F)c2)c1 Show InChI InChI=1S/C17H15FN6O2/c1-2-24-16(25)13-15(22-17(24)26)21-14(20-13)11-7-19-23(9-11)8-10-4-3-5-12(18)6-10/h3-7,9H,2,8H2,1H3,(H,20,21)(H,22,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 A2b
(Homo sapiens (Human)) | BDBM50233085
(8-(1-benzyl-1H-pyrazol-4-yl)-3-isobutyl-1H-purine-...)Show SMILES CC(C)Cn1c2nc([nH]c2c(=O)[nH]c1=O)-c1cnn(Cc2ccccc2)c1 Show InChI InChI=1S/C19H20N6O2/c1-12(2)9-25-17-15(18(26)23-19(25)27)21-16(22-17)14-8-20-24(11-14)10-13-6-4-3-5-7-13/h3-8,11-12H,9-10H2,1-2H3,(H,21,22)(H,23,26,27) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 A1
(Homo sapiens (Human)) | BDBM50233096
(8-(1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-...)Show SMILES CC(C)Cn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C20H19F3N6O2/c1-11(2)8-29-18(30)15-17(27-19(29)31)26-16(25-15)13-7-24-28(10-13)9-12-4-3-5-14(6-12)20(21,22)23/h3-7,10-11H,8-9H2,1-2H3,(H,25,26)(H,27,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50233097
(8-(1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-...)Show SMILES FC(F)(F)c1cccc(Cn2cc(cn2)-c2nc3[nH]c(=O)n(CC4CC4)c(=O)c3[nH]2)c1 Show InChI InChI=1S/C20H17F3N6O2/c21-20(22,23)14-3-1-2-12(6-14)8-28-10-13(7-24-28)16-25-15-17(26-16)27-19(31)29(18(15)30)9-11-4-5-11/h1-3,6-7,10-11H,4-5,8-9H2,(H,25,26)(H,27,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 A2b
(Homo sapiens (Human)) | BDBM50233113
(8-(1-benzyl-1H-pyrazol-4-yl)-3-butyl-1H-purine-2,6...)Show SMILES CCCCn1c2nc([nH]c2c(=O)[nH]c1=O)-c1cnn(Cc2ccccc2)c1 Show InChI InChI=1S/C19H20N6O2/c1-2-3-9-25-17-15(18(26)23-19(25)27)21-16(22-17)14-10-20-24(12-14)11-13-7-5-4-6-8-13/h4-8,10,12H,2-3,9,11H2,1H3,(H,21,22)(H,23,26,27) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 A1
(Homo sapiens (Human)) | BDBM50233088
(1-ethyl-8-(1-(3-(trifluoromethyl)benzyl)-1H-pyrazo...)Show SMILES CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C18H15F3N6O2/c1-2-27-16(28)13-15(25-17(27)29)24-14(23-13)11-7-22-26(9-11)8-10-4-3-5-12(6-10)18(19,20)21/h3-7,9H,2,8H2,1H3,(H,23,24)(H,25,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50233103
(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
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 A2b
(Homo sapiens (Human)) | BDBM50233108
(1-benzyl-8-(1-benzyl-1H-pyrazol-4-yl)-1H-purine-2,...)Show SMILES O=c1[nH]c2nc([nH]c2c(=O)n1Cc1ccccc1)-c1cnn(Cc2ccccc2)c1 Show InChI InChI=1S/C22H18N6O2/c29-21-18-20(26-22(30)28(21)13-16-9-5-2-6-10-16)25-19(24-18)17-11-23-27(14-17)12-15-7-3-1-4-8-15/h1-11,14H,12-13H2,(H,24,25)(H,26,30) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 A1
(Homo sapiens (Human)) | BDBM50233086
(8-(1-((5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl)met...)Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2noc(n2)-c2ccc(Cl)cc2)c1 Show InChI InChI=1S/C20H17ClN8O3/c1-2-7-29-19(30)15-17(26-20(29)31)25-16(24-15)12-8-22-28(9-12)10-14-23-18(32-27-14)11-3-5-13(21)6-4-11/h3-6,8-9H,2,7,10H2,1H3,(H,24,25)(H,26,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| >6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50233089
(8-(1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-...)Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C19H17F3N6O2/c1-2-6-28-17(29)14-16(26-18(28)30)25-15(24-14)12-8-23-27(10-12)9-11-4-3-5-13(7-11)19(20,21)22/h3-5,7-8,10H,2,6,9H2,1H3,(H,24,25)(H,26,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 A2b
(Homo sapiens (Human)) | BDBM50233110
(3-benzyl-8-(1-benzyl-1H-pyrazol-4-yl)-1H-purine-2,...)Show SMILES O=c1[nH]c(=O)c2[nH]c(nc2n1Cc1ccccc1)-c1cnn(Cc2ccccc2)c1 Show InChI InChI=1S/C22H18N6O2/c29-21-18-20(28(22(30)26-21)13-16-9-5-2-6-10-16)25-19(24-18)17-11-23-27(14-17)12-15-7-3-1-4-8-15/h1-11,14H,12-13H2,(H,24,25)(H,26,29,30) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| >6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 A1
(Homo sapiens (Human)) | BDBM50233083
(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
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50233093
(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
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-AB-MECA from human A3 receptor expressed in CHO cells |
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)) | BDBM50233086
(8-(1-((5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl)met...)Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2noc(n2)-c2ccc(Cl)cc2)c1 Show InChI InChI=1S/C20H17ClN8O3/c1-2-7-29-19(30)15-17(26-20(29)31)25-16(24-15)12-8-22-28(9-12)10-14-23-18(32-27-14)11-3-5-13(21)6-4-11/h3-6,8-9H,2,7,10H2,1H3,(H,24,25)(H,26,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| >9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-AB-MECA from human A3 receptor expressed in CHO cells |
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)) | BDBM50233077
(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
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-AB-MECA from human A3 receptor expressed in CHO cells |
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)) | BDBM50233103
(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
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-AB-MECA from human A3 receptor expressed in CHO cells |
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)) | BDBM50233083
(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
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-AB-MECA from human A3 receptor expressed in CHO cells |
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)) | BDBM50233096
(8-(1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-...)Show SMILES CC(C)Cn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C20H19F3N6O2/c1-11(2)8-29-18(30)15-17(27-19(29)31)26-16(25-15)13-7-24-28(10-13)9-12-4-3-5-14(6-12)20(21,22)23/h3-7,10-11H,8-9H2,1-2H3,(H,25,26)(H,27,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-AB-MECA from human A3 receptor expressed in CHO cells |
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)) | BDBM50233088
(1-ethyl-8-(1-(3-(trifluoromethyl)benzyl)-1H-pyrazo...)Show SMILES CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C18H15F3N6O2/c1-2-27-16(28)13-15(25-17(27)29)24-14(23-13)11-7-22-26(9-11)8-10-4-3-5-12(6-10)18(19,20)21/h3-7,9H,2,8H2,1H3,(H,23,24)(H,25,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-AB-MECA from human A3 receptor expressed in CHO cells |
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)) | BDBM50233105
(8-(1-((5-phenyl-1,2,4-oxadiazol-3-yl)methyl)-1H-py...)Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2noc(n2)-c2ccccc2)c1 Show InChI InChI=1S/C20H18N8O3/c1-2-8-28-19(29)15-17(25-20(28)30)24-16(23-15)13-9-21-27(10-13)11-14-22-18(31-26-14)12-6-4-3-5-7-12/h3-7,9-10H,2,8,11H2,1H3,(H,23,24)(H,25,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-AB-MECA from human A3 receptor expressed in CHO cells |
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)) | BDBM50233104
(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
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-AB-MECA from human A3 receptor expressed in CHO cells |
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)) | BDBM50233092
(8-(1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-...)Show SMILES CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C20H19F3N6O2/c1-2-3-7-29-18(30)15-17(27-19(29)31)26-16(25-15)13-9-24-28(11-13)10-12-5-4-6-14(8-12)20(21,22)23/h4-6,8-9,11H,2-3,7,10H2,1H3,(H,25,26)(H,27,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-AB-MECA from human A3 receptor expressed in CHO cells |
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)) | BDBM50233107
(8-(1-((5-phenylisoxazol-3-yl)methyl)-1H-pyrazol-4-...)Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cc(on2)-c2ccccc2)c1 Show InChI InChI=1S/C21H19N7O3/c1-2-8-28-20(29)17-19(25-21(28)30)24-18(23-17)14-10-22-27(11-14)12-15-9-16(31-26-15)13-6-4-3-5-7-13/h3-7,9-11H,2,8,12H2,1H3,(H,23,24)(H,25,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-AB-MECA from human A3 receptor expressed in CHO cells |
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)) | BDBM50233100
(1-(cyclopropylmethyl)-8-(1-((5-(4-(trifluoromethyl...)Show SMILES FC(F)(F)c1ccc(cc1)-c1cc(Cn2cc(cn2)-c2nc3[nH]c(=O)n(CC4CC4)c(=O)c3[nH]2)no1 Show InChI InChI=1S/C23H18F3N7O3/c24-23(25,26)15-5-3-13(4-6-15)17-7-16(31-36-17)11-32-10-14(8-27-32)19-28-18-20(29-19)30-22(35)33(21(18)34)9-12-1-2-12/h3-8,10,12H,1-2,9,11H2,(H,28,29)(H,30,35) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-AB-MECA from human A3 receptor expressed in CHO cells |
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)) | BDBM50233090
(1-isobutyl-8-(1-((5-phenylisoxazol-3-yl)methyl)-1H...)Show SMILES CC(C)Cn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cc(on2)-c2ccccc2)c1 Show InChI InChI=1S/C22H21N7O3/c1-13(2)10-29-21(30)18-20(26-22(29)31)25-19(24-18)15-9-23-28(11-15)12-16-8-17(32-27-16)14-6-4-3-5-7-14/h3-9,11,13H,10,12H2,1-2H3,(H,24,25)(H,26,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-AB-MECA from human A3 receptor expressed in CHO cells |
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 | |
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