Found 1686 hits with Last Name = 'leung' and Initial = 'k' 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 A2a
(Homo sapiens (Human)) | BDBM10847
(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)Show InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics, Inc.
Curated by ChEMBL
| Assay Description Binding affinity for adenosine A2a receptor by using as [3H]-ZM-241,385 radioligand in membranes from HEK-A2A cells |
Bioorg Med Chem Lett 15: 609-12 (2005)
Article DOI: 10.1016/j.bmcl.2004.11.044 BindingDB Entry DOI: 10.7270/Q29K49QX |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM10847
(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)Show InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank Article PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics, Inc.
Curated by ChEMBL
| Assay Description Binding affinity for adenosine A1 receptor by using as [3H]-CPX iradioligand n membranes from Chinese hamster ovary cells |
Bioorg Med Chem Lett 15: 609-12 (2005)
Article DOI: 10.1016/j.bmcl.2004.11.044 BindingDB Entry DOI: 10.7270/Q29K49QX |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50188578
(8-(1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-...)Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C18H15F3N6O2/c1-25-15-13(16(28)26(2)17(25)29)23-14(24-15)11-7-22-27(9-11)8-10-4-3-5-12(6-10)18(19,20)21/h3-7,9H,8H2,1-2H3,(H,23,24) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]ZM-241385 from human recombinant adenosine A2B receptor expressed in HEK293 cells |
J Med Chem 51: 2267-78 (2008)
Article DOI: 10.1021/jm7014815 BindingDB Entry DOI: 10.7270/Q2MC90W2 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50176751
(8-(1-((3-phenyl-1,2,4-oxadiazol-5-yl)methyl)-1H-py...)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2ccccc2)c1 Show InChI InChI=1S/C23H24N8O3/c1-3-10-30-21-18(22(32)31(11-4-2)23(30)33)26-19(27-21)16-12-24-29(13-16)14-17-25-20(28-34-17)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
| 1 | 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 Adenosine A2B receptor expressed in HEK cells |
Bioorg Med Chem Lett 16: 302-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.002 BindingDB Entry DOI: 10.7270/Q2154GM1 |
More data for this Ligand-Target Pair | |
Fibroblast growth factor receptor 2
(Homo sapiens (Human)) | BDBM286984
(8-(3-(4-acryloylpiperazin-1-yl)propyl)-6-(2,6-dich...)Show SMILES CNc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)n(CCCN3CCN(CC3)C(=O)C=C)c2n1 |(-6.67,-.77,;-6.67,.77,;-5.33,1.54,;-5.33,3.08,;-4,3.85,;-2.67,3.08,;-1.33,3.85,;,3.08,;1.33,3.85,;1.33,5.39,;,6.16,;2.67,6.16,;2.67,7.7,;1.33,8.47,;4,5.39,;4,3.85,;5.33,3.08,;6.67,3.85,;2.67,3.08,;2.67,1.54,;,1.54,;1.33,.77,;-1.33,.77,;-1.33,-.77,;,-1.54,;,-3.08,;1.33,-3.85,;1.33,-5.39,;2.67,-6.16,;4,-5.39,;4,-3.85,;2.67,-3.08,;5.33,-6.16,;6.67,-5.39,;5.33,-7.7,;6.67,-8.47,;-2.67,1.54,;-4,.77,)| Show InChI InChI=1S/C26H30Cl2N6O4/c1-5-20(35)33-11-9-32(10-12-33)7-6-8-34-24-16(15-30-26(29-2)31-24)13-17(25(34)36)21-22(27)18(37-3)14-19(38-4)23(21)28/h5,13-15H,1,6-12H2,2-4H3,(H,29,30,31) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| Article PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Principia Biopharma, Inc.
Curated by ChEMBL
| Assay Description Irreversible inhibition of human FGFR2 preincubated with enzyme followed by peptide substrate addition by caliper capillary electrophoresis method |
J Med Chem 60: 6516-6527 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00360 BindingDB Entry DOI: 10.7270/Q2C53P3H |
More data for this Ligand-Target Pair | |
Fibroblast growth factor receptor 1
(Homo sapiens (Human)) | BDBM286984
(8-(3-(4-acryloylpiperazin-1-yl)propyl)-6-(2,6-dich...)Show SMILES CNc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)n(CCCN3CCN(CC3)C(=O)C=C)c2n1 |(-6.67,-.77,;-6.67,.77,;-5.33,1.54,;-5.33,3.08,;-4,3.85,;-2.67,3.08,;-1.33,3.85,;,3.08,;1.33,3.85,;1.33,5.39,;,6.16,;2.67,6.16,;2.67,7.7,;1.33,8.47,;4,5.39,;4,3.85,;5.33,3.08,;6.67,3.85,;2.67,3.08,;2.67,1.54,;,1.54,;1.33,.77,;-1.33,.77,;-1.33,-.77,;,-1.54,;,-3.08,;1.33,-3.85,;1.33,-5.39,;2.67,-6.16,;4,-5.39,;4,-3.85,;2.67,-3.08,;5.33,-6.16,;6.67,-5.39,;5.33,-7.7,;6.67,-8.47,;-2.67,1.54,;-4,.77,)| Show InChI InChI=1S/C26H30Cl2N6O4/c1-5-20(35)33-11-9-32(10-12-33)7-6-8-34-24-16(15-30-26(29-2)31-24)13-17(25(34)36)21-22(27)18(37-3)14-19(38-4)23(21)28/h5,13-15H,1,6-12H2,2-4H3,(H,29,30,31) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| Article PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Principia Biopharma, Inc.
Curated by ChEMBL
| Assay Description Irreversible inhibition of human FGFR1 using 5-FAM-KKKKEEIYFFF-NH2 as substrate preincubated with enzyme followed by peptide substrate addition by ca... |
J Med Chem 60: 6516-6527 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00360 BindingDB Entry DOI: 10.7270/Q2C53P3H |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50086170
((4-Cyano-phenyl)-carbamic acid 4-(2,6-dioxo-1,3-di...)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C#N)cc1 Show InChI InChI=1S/C26H26N6O4/c1-3-13-31-24-22(25(34)32(14-4-2)26(31)35)29-23(30-24)18-7-11-20(12-8-18)36-16-21(33)28-19-9-5-17(15-27)6-10-19/h5-12H,3-4,13-14,16H2,1-2H3,(H,28,33)(H,29,30) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics, Inc.
Curated by ChEMBL
| Assay Description Binding affinity against Adenosine A2b receptor labeled by [3H]-ZM-241,385 in membranes prepared from HEK-A2B cells |
Bioorg Med Chem Lett 15: 609-12 (2005)
Article DOI: 10.1016/j.bmcl.2004.11.044 BindingDB Entry DOI: 10.7270/Q29K49QX |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50376936
(CHEMBL408266)Show SMILES CCn1c(=O)n(C)c2nc([nH]c2c1=O)-c1cnn(Cc2ccccc2)c1 Show InChI InChI=1S/C18H18N6O2/c1-3-24-17(25)14-16(22(2)18(24)26)21-15(20-14)13-9-19-23(11-13)10-12-7-5-4-6-8-12/h4-9,11H,3,10H2,1-2H3,(H,20,21) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]ZM-241385 from human recombinant adenosine A2B receptor expressed in HEK293 cells |
J Med Chem 51: 2267-78 (2008)
Article DOI: 10.1021/jm7014815 BindingDB Entry DOI: 10.7270/Q2MC90W2 |
More data for this Ligand-Target Pair | |
Fibroblast growth factor receptor 3
(Homo sapiens (Human)) | BDBM286984
(8-(3-(4-acryloylpiperazin-1-yl)propyl)-6-(2,6-dich...)Show SMILES CNc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)n(CCCN3CCN(CC3)C(=O)C=C)c2n1 |(-6.67,-.77,;-6.67,.77,;-5.33,1.54,;-5.33,3.08,;-4,3.85,;-2.67,3.08,;-1.33,3.85,;,3.08,;1.33,3.85,;1.33,5.39,;,6.16,;2.67,6.16,;2.67,7.7,;1.33,8.47,;4,5.39,;4,3.85,;5.33,3.08,;6.67,3.85,;2.67,3.08,;2.67,1.54,;,1.54,;1.33,.77,;-1.33,.77,;-1.33,-.77,;,-1.54,;,-3.08,;1.33,-3.85,;1.33,-5.39,;2.67,-6.16,;4,-5.39,;4,-3.85,;2.67,-3.08,;5.33,-6.16,;6.67,-5.39,;5.33,-7.7,;6.67,-8.47,;-2.67,1.54,;-4,.77,)| Show InChI InChI=1S/C26H30Cl2N6O4/c1-5-20(35)33-11-9-32(10-12-33)7-6-8-34-24-16(15-30-26(29-2)31-24)13-17(25(34)36)21-22(27)18(37-3)14-19(38-4)23(21)28/h5,13-15H,1,6-12H2,2-4H3,(H,29,30,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| Article PubMed
| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Principia Biopharma, Inc.
Curated by ChEMBL
| Assay Description Irreversible inhibition of human FGFR3 preincubated with enzyme followed by peptide substrate addition by caliper capillary electrophoresis method |
J Med Chem 60: 6516-6527 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00360 BindingDB Entry DOI: 10.7270/Q2C53P3H |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50138530
((2R,3R,5R)-2-Hydroxymethyl-5-{6-[(R)-(tetrahydro-f...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCOC3)ncnc12 Show InChI InChI=1S/C14H19N5O5/c20-3-8-10(21)11(22)14(24-8)19-6-17-9-12(15-5-16-13(9)19)18-7-1-2-23-4-7/h5-8,10-11,14,20-22H,1-4H2,(H,15,16,18)/t7?,8-,10-,11-,14?/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics
Curated by ChEMBL
| Assay Description Binding affinity for adenosine A1 receptor determined using hamster DDT1 cell membranes with [3H]-CCPA as radioligand |
Bioorg Med Chem Lett 14: 535-9 (2003)
BindingDB Entry DOI: 10.7270/Q2QZ29DN |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50188547
(8-(1-(3-fluorobenzyl)-1H-pyrazol-4-yl)-1,3-diethyl...)Show SMILES CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1cnn(Cc2cccc(F)c2)c1 Show InChI InChI=1S/C19H19FN6O2/c1-3-25-17-15(18(27)26(4-2)19(25)28)22-16(23-17)13-9-21-24(11-13)10-12-6-5-7-14(20)8-12/h5-9,11H,3-4,10H2,1-2H3,(H,22,23) | 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]ZM-241385 from human recombinant adenosine A2B receptor expressed in HEK293 cells |
J Med Chem 51: 2267-78 (2008)
Article DOI: 10.1021/jm7014815 BindingDB Entry DOI: 10.7270/Q2MC90W2 |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50159970
(8-{4-[5-(2-Methoxy-phenyl)-[1,2,4]oxadiazol-3-ylme...)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2ccccc2OC)cc1 Show InChI InChI=1S/C27H28N6O5/c1-4-14-32-24-22(26(34)33(15-5-2)27(32)35)29-23(30-24)17-10-12-18(13-11-17)37-16-21-28-25(38-31-21)19-8-6-7-9-20(19)36-3/h6-13H,4-5,14-16H2,1-3H3,(H,29,30) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
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 Binding affinity against Adenosine A3 receptor by displacement of specific binding of [125I]-AB-MECA in membranes prepared from CHO-A3 cells |
Bioorg Med Chem Lett 15: 609-12 (2005)
Article DOI: 10.1016/j.bmcl.2004.11.044 BindingDB Entry DOI: 10.7270/Q29K49QX |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50376955
(CHEMBL260490)Show SMILES CCn1c(=O)n(C)c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(F)c2)c1 Show InChI InChI=1S/C18H17FN6O2/c1-3-25-17(26)14-16(23(2)18(25)27)22-15(21-14)12-8-20-24(10-12)9-11-5-4-6-13(19)7-11/h4-8,10H,3,9H2,1-2H3,(H,21,22) | 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]ZM-241385 from human recombinant adenosine A2B receptor expressed in HEK293 cells |
J Med Chem 51: 2267-78 (2008)
Article DOI: 10.1021/jm7014815 BindingDB Entry DOI: 10.7270/Q2MC90W2 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50376954
(CHEMBL259342)Show SMILES CCn1c(=O)n(C)c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C19H17F3N6O2/c1-3-28-17(29)14-16(26(2)18(28)30)25-15(24-14)12-8-23-27(10-12)9-11-5-4-6-13(7-11)19(20,21)22/h4-8,10H,3,9H2,1-2H3,(H,24,25) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 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]ZM-241385 from human recombinant adenosine A2B receptor expressed in HEK293 cells |
J Med Chem 51: 2267-78 (2008)
Article DOI: 10.1021/jm7014815 BindingDB Entry DOI: 10.7270/Q2MC90W2 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50159960
(8-{4-[3-(3-Chloro-phenyl)-[1,2,4]oxadiazol-5-ylmet...)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2cccc(Cl)c2)cc1 Show InChI InChI=1S/C26H25ClN6O4/c1-3-12-32-24-21(25(34)33(13-4-2)26(32)35)29-22(30-24)16-8-10-19(11-9-16)36-15-20-28-23(31-37-20)17-6-5-7-18(27)14-17/h5-11,14H,3-4,12-13,15H2,1-2H3,(H,29,30) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 6.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics, Inc.
Curated by ChEMBL
| Assay Description Binding affinity for adenosine A1 receptor by using as [3H]-CPX (0.5 nM) radioligand in membranes from Chinese hamster ovary cells |
Bioorg Med Chem Lett 15: 609-12 (2005)
Article DOI: 10.1016/j.bmcl.2004.11.044 BindingDB Entry DOI: 10.7270/Q29K49QX |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50376948
(CHEMBL259300)Show SMILES Cn1c2nc([nH]c2c(=O)n(CC2CC2)c1=O)-c1cnn(Cc2cccc(F)c2)c1 Show InChI InChI=1S/C20H19FN6O2/c1-25-18-16(19(28)27(20(25)29)10-12-5-6-12)23-17(24-18)14-8-22-26(11-14)9-13-3-2-4-15(21)7-13/h2-4,7-8,11-12H,5-6,9-10H2,1H3,(H,23,24) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
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]ZM-241385 from human recombinant adenosine A2B receptor expressed in HEK293 cells |
J Med Chem 51: 2267-78 (2008)
Article DOI: 10.1021/jm7014815 BindingDB Entry DOI: 10.7270/Q2MC90W2 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50159959
(8-{4-[3-(4-Fluoro-phenyl)-[1,2,4]oxadiazol-5-ylmet...)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2ccc(F)cc2)cc1 Show InChI InChI=1S/C26H25FN6O4/c1-3-13-32-24-21(25(34)33(14-4-2)26(32)35)29-22(30-24)16-7-11-19(12-8-16)36-15-20-28-23(31-37-20)17-5-9-18(27)10-6-17/h5-12H,3-4,13-15H2,1-2H3,(H,29,30) | PDB
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 Binding affinity for adenosine A1 receptor by using as [3H]-CPX radioligand in membranes from Chinese hamster ovary cells |
Bioorg Med Chem Lett 15: 609-12 (2005)
Article DOI: 10.1016/j.bmcl.2004.11.044 BindingDB Entry DOI: 10.7270/Q29K49QX |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50159970
(8-{4-[5-(2-Methoxy-phenyl)-[1,2,4]oxadiazol-3-ylme...)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2ccccc2OC)cc1 Show InChI InChI=1S/C27H28N6O5/c1-4-14-32-24-22(26(34)33(15-5-2)27(32)35)29-23(30-24)17-10-12-18(13-11-17)37-16-21-28-25(38-31-21)19-8-6-7-9-20(19)36-3/h6-13H,4-5,14-16H2,1-3H3,(H,29,30) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics, Inc.
Curated by ChEMBL
| Assay Description Binding affinity against Adenosine A1 receptor labeled by [3H]-CPX in membranes prepared from Chinese hamster ovary cells |
Bioorg Med Chem Lett 15: 609-12 (2005)
Article DOI: 10.1016/j.bmcl.2004.11.044 BindingDB Entry DOI: 10.7270/Q29K49QX |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50376949
(CHEMBL259524)Show SMILES Cn1c2nc([nH]c2c(=O)n(CC2CC2)c1=O)-c1cnn(Cc2ccccc2)c1 Show InChI InChI=1S/C20H20N6O2/c1-24-18-16(19(27)26(20(24)28)11-14-7-8-14)22-17(23-18)15-9-21-25(12-15)10-13-5-3-2-4-6-13/h2-6,9,12,14H,7-8,10-11H2,1H3,(H,22,23) | 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]ZM-241385 from human recombinant adenosine A2B receptor expressed in HEK293 cells |
J Med Chem 51: 2267-78 (2008)
Article DOI: 10.1021/jm7014815 BindingDB Entry DOI: 10.7270/Q2MC90W2 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50376944
(CHEMBL258499)Show SMILES CCn1c2nc([nH]c2c(=O)n(CC(C)C)c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C22H23F3N6O2/c1-4-30-19-17(20(32)31(21(30)33)10-13(2)3)27-18(28-19)15-9-26-29(12-15)11-14-6-5-7-16(8-14)22(23,24)25/h5-9,12-13H,4,10-11H2,1-3H3,(H,27,28) | 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]ZM-241385 from human recombinant adenosine A2B receptor expressed in HEK293 cells |
J Med Chem 51: 2267-78 (2008)
Article DOI: 10.1021/jm7014815 BindingDB Entry DOI: 10.7270/Q2MC90W2 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50376952
(CHEMBL258507)Show SMILES CCCCn1c(=O)n(C)c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C21H21F3N6O2/c1-3-4-8-30-19(31)16-18(28(2)20(30)32)27-17(26-16)14-10-25-29(12-14)11-13-6-5-7-15(9-13)21(22,23)24/h5-7,9-10,12H,3-4,8,11H2,1-2H3,(H,26,27) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 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]ZM-241385 from human recombinant adenosine A2B receptor expressed in HEK293 cells |
J Med Chem 51: 2267-78 (2008)
Article DOI: 10.1021/jm7014815 BindingDB Entry DOI: 10.7270/Q2MC90W2 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50138535
(Benzyl-thiocarbamic acid (2R,3S,4R)-3,4-dihydroxy-...)Show SMILES O[C@@H]1[C@@H](COC(=S)NCc2ccccc2)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 Show InChI InChI=1S/C22H26N6O5S/c29-17-15(10-32-22(34)23-8-13-4-2-1-3-5-13)33-21(18(17)30)28-12-26-16-19(24-11-25-20(16)28)27-14-6-7-31-9-14/h1-5,11-12,14-15,17-18,21,29-30H,6-10H2,(H,23,34)(H,24,25,27)/t14?,15-,17-,18-,21?/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics
Curated by ChEMBL
| Assay Description Binding affinity for adenosine A1 receptor determined using hamster DDT1 cell membranes with [3H]-CCPA as radioligand |
Bioorg Med Chem Lett 14: 535-9 (2003)
BindingDB Entry DOI: 10.7270/Q2QZ29DN |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50376953
(CHEMBL260976)Show SMILES CCCn1c(=O)n(C)c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(F)c2)c1 Show InChI InChI=1S/C19H19FN6O2/c1-3-7-26-18(27)15-17(24(2)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,3,7,10H2,1-2H3,(H,22,23) | 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]ZM-241385 from human recombinant adenosine A2B receptor expressed in HEK293 cells |
J Med Chem 51: 2267-78 (2008)
Article DOI: 10.1021/jm7014815 BindingDB Entry DOI: 10.7270/Q2MC90W2 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50188583
(8-(1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-...)Show SMILES CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C20H19F3N6O2/c1-3-28-17-15(18(30)29(4-2)19(28)31)25-16(26-17)13-9-24-27(11-13)10-12-6-5-7-14(8-12)20(21,22)23/h5-9,11H,3-4,10H2,1-2H3,(H,25,26) | 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]ZM-241385 from human recombinant adenosine A2B receptor expressed in HEK293 cells |
J Med Chem 51: 2267-78 (2008)
Article DOI: 10.1021/jm7014815 BindingDB Entry DOI: 10.7270/Q2MC90W2 |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM10847
(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)Show InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
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 Binding affinity for adenosine A3 receptor by displacement of specific binding of [125I]-AB-MECA in membranes from CHO-A3 cells |
Bioorg Med Chem Lett 15: 609-12 (2005)
Article DOI: 10.1016/j.bmcl.2004.11.044 BindingDB Entry DOI: 10.7270/Q29K49QX |
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 Adenosine A2B receptor expressed in HEK cells |
Bioorg Med Chem Lett 16: 302-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.002 BindingDB Entry DOI: 10.7270/Q2154GM1 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | 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]ZM-241385 from human recombinant adenosine A2B receptor expressed in HEK293 cells |
J Med Chem 51: 2267-78 (2008)
Article DOI: 10.1021/jm7014815 BindingDB Entry DOI: 10.7270/Q2MC90W2 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50322845
(3-methyl-1-propyl-8-(1-(3-(trifluoromethyl)benzyl)...)Show SMILES CCCn1c(=O)n(C)c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C20H19F3N6O2/c1-3-7-29-18(30)15-17(27(2)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,3,7,10H2,1-2H3,(H,25,26) | 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]ZM-241385 from human recombinant adenosine A2B receptor expressed in HEK293 cells |
J Med Chem 51: 2267-78 (2008)
Article DOI: 10.1021/jm7014815 BindingDB Entry DOI: 10.7270/Q2MC90W2 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50176739
(4-(3-((4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydr...)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2ccc(cc2)C#N)c1 Show InChI InChI=1S/C24H23N9O3/c1-3-9-32-21-19(23(34)33(10-4-2)24(32)35)28-20(29-21)17-12-26-31(13-17)14-18-27-22(36-30-18)16-7-5-15(11-25)6-8-16/h5-8,12-13H,3-4,9-10,14H2,1-2H3,(H,28,29) | PDB
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 Adenosine A2B receptor expressed in HEK cells |
Bioorg Med Chem Lett 16: 302-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.002 BindingDB Entry DOI: 10.7270/Q2154GM1 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | 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]ZM-241385 from human recombinant adenosine A2B receptor expressed in HEK293 cells |
J Med Chem 51: 2267-78 (2008)
Article DOI: 10.1021/jm7014815 BindingDB Entry DOI: 10.7270/Q2MC90W2 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50376940
(CHEMBL427736)Show SMILES CCn1c2nc([nH]c2c(=O)n(CC2CC2)c1=O)-c1cnn(c1)-c1ccc(nc1)C(F)(F)F Show InChI InChI=1S/C20H18F3N7O2/c1-2-28-17-15(18(31)29(19(28)32)9-11-3-4-11)26-16(27-17)12-7-25-30(10-12)13-5-6-14(24-8-13)20(21,22)23/h5-8,10-11H,2-4,9H2,1H3,(H,26,27) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 16 | 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]ZM-241385 from human recombinant adenosine A2B receptor expressed in HEK293 cells |
J Med Chem 51: 2267-78 (2008)
Article DOI: 10.1021/jm7014815 BindingDB Entry DOI: 10.7270/Q2MC90W2 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50376938
(CHEMBL428086)Show SMILES CCCn1c(=O)n(CC)c2nc([nH]c2c1=O)-c1cnn(Cc2nc(no2)-c2ccc(Cl)cc2)c1 Show InChI InChI=1S/C22H21ClN8O3/c1-3-9-31-21(32)17-20(30(4-2)22(31)33)27-18(26-17)14-10-24-29(11-14)12-16-25-19(28-34-16)13-5-7-15(23)8-6-13/h5-8,10-11H,3-4,9,12H2,1-2H3,(H,26,27) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 16 | 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]ZM-241385 from human recombinant adenosine A2B receptor expressed in HEK293 cells |
J Med Chem 51: 2267-78 (2008)
Article DOI: 10.1021/jm7014815 BindingDB Entry DOI: 10.7270/Q2MC90W2 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50176757
(4-(5-((4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydr...)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2ccc(cc2)C#N)c1 Show InChI InChI=1S/C24H23N9O3/c1-3-9-32-22-19(23(34)33(10-4-2)24(32)35)28-20(29-22)17-12-26-31(13-17)14-18-27-21(30-36-18)16-7-5-15(11-25)6-8-16/h5-8,12-13H,3-4,9-10,14H2,1-2H3,(H,28,29) | PDB
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 Adenosine A2B receptor expressed in HEK cells |
Bioorg Med Chem Lett 16: 302-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.002 BindingDB Entry DOI: 10.7270/Q2154GM1 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50376942
(CHEMBL259772)Show SMILES CCCn1c(=O)n(CC)c2nc([nH]c2c1=O)-c1cnn(c1)-c1ccc(nc1)C(F)(F)F Show InChI InChI=1S/C19H18F3N7O2/c1-3-7-28-17(30)14-16(27(4-2)18(28)31)26-15(25-14)11-8-24-29(10-11)12-5-6-13(23-9-12)19(20,21)22/h5-6,8-10H,3-4,7H2,1-2H3,(H,25,26) | 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]ZM-241385 from human recombinant adenosine A2B receptor expressed in HEK293 cells |
J Med Chem 51: 2267-78 (2008)
Article DOI: 10.1021/jm7014815 BindingDB Entry DOI: 10.7270/Q2MC90W2 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50176769
(8-(1-((3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl)met...)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2ccccc2Cl)c1 Show InChI InChI=1S/C23H23ClN8O3/c1-3-9-31-21-18(22(33)32(10-4-2)23(31)34)27-19(28-21)14-11-25-30(12-14)13-17-26-20(29-35-17)15-7-5-6-8-16(15)24/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H,27,28) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 19 | 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 Adenosine A2B receptor expressed in HEK cells |
Bioorg Med Chem Lett 16: 302-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.002 BindingDB Entry DOI: 10.7270/Q2154GM1 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50376969
(CHEMBL258686)Show SMILES CCCn1c(=O)n(C)c2nc([nH]c2c1=O)-c1cnn(Cc2ccccc2)c1 Show InChI InChI=1S/C19H20N6O2/c1-3-9-25-18(26)15-17(23(2)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,3,9,11H2,1-2H3,(H,21,22) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 19 | 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]ZM-241385 from human recombinant adenosine A2B receptor expressed in HEK293 cells |
J Med Chem 51: 2267-78 (2008)
Article DOI: 10.1021/jm7014815 BindingDB Entry DOI: 10.7270/Q2MC90W2 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(GUINEA PIG) | BDBM25400
((2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-y...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C15H21N5O4/c21-5-9-11(22)12(23)15(24-9)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,21-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics, Inc.
Curated by ChEMBL
| Assay Description Binding affinity against adenosine A1 receptor using [3H]CPX in guinea pig DDT membrane; 19.5+/-12.0 |
Bioorg Med Chem Lett 14: 3793-7 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.096 BindingDB Entry DOI: 10.7270/Q20Z73TX |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50376941
(CHEMBL259565)Show SMILES CCn1c2nc([nH]c2c(=O)n(CC(C)C)c1=O)-c1cnn(c1)-c1ccc(nc1)C(F)(F)F Show InChI InChI=1S/C20H20F3N7O2/c1-4-28-17-15(18(31)29(19(28)32)9-11(2)3)26-16(27-17)12-7-25-30(10-12)13-5-6-14(24-8-13)20(21,22)23/h5-8,10-11H,4,9H2,1-3H3,(H,26,27) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 20 | 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]ZM-241385 from human recombinant adenosine A2B receptor expressed in HEK293 cells |
J Med Chem 51: 2267-78 (2008)
Article DOI: 10.1021/jm7014815 BindingDB Entry DOI: 10.7270/Q2MC90W2 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50376947
(CHEMBL412747)Show SMILES Cn1c2nc([nH]c2c(=O)n(CC2CC2)c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C21H19F3N6O2/c1-28-18-16(19(31)30(20(28)32)10-12-5-6-12)26-17(27-18)14-8-25-29(11-14)9-13-3-2-4-15(7-13)21(22,23)24/h2-4,7-8,11-12H,5-6,9-10H2,1H3,(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]ZM-241385 from human recombinant adenosine A2B receptor expressed in HEK293 cells |
J Med Chem 51: 2267-78 (2008)
Article DOI: 10.1021/jm7014815 BindingDB Entry DOI: 10.7270/Q2MC90W2 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50176738
(1,3-dipropyl-8-(1-((5-(4-(trifluoromethyl)phenyl)-...)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2ccc(cc2)C(F)(F)F)c1 Show InChI InChI=1S/C24H23F3N8O3/c1-3-9-34-20-18(22(36)35(10-4-2)23(34)37)30-19(31-20)15-11-28-33(12-15)13-17-29-21(38-32-17)14-5-7-16(8-6-14)24(25,26)27/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H,30,31) | PDB
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 Adenosine A2B receptor expressed in HEK cells |
Bioorg Med Chem Lett 16: 302-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.002 BindingDB Entry DOI: 10.7270/Q2154GM1 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50376951
(CHEMBL409852)Show SMILES CC(C)Cn1c(=O)n(C)c2nc([nH]c2c1=O)-c1cnn(Cc2ccccc2)c1 Show InChI InChI=1S/C20H22N6O2/c1-13(2)10-26-19(27)16-18(24(3)20(26)28)23-17(22-16)15-9-21-25(12-15)11-14-7-5-4-6-8-14/h4-9,12-13H,10-11H2,1-3H3,(H,22,23) | 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]ZM-241385 from human recombinant adenosine A2B receptor expressed in HEK293 cells |
J Med Chem 51: 2267-78 (2008)
Article DOI: 10.1021/jm7014815 BindingDB Entry DOI: 10.7270/Q2MC90W2 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50176740
(8-(1-((3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl)met...)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2ccc(Cl)cc2)c1 Show InChI InChI=1S/C23H23ClN8O3/c1-3-9-31-21-18(22(33)32(10-4-2)23(31)34)27-19(28-21)15-11-25-30(12-15)13-17-26-20(29-35-17)14-5-7-16(24)8-6-14/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H,27,28) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 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 Adenosine A2B receptor expressed in HEK cells |
Bioorg Med Chem Lett 16: 302-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.002 BindingDB Entry DOI: 10.7270/Q2154GM1 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | 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 Adenosine A2B receptor expressed in HEK cells |
Bioorg Med Chem Lett 16: 302-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.002 BindingDB Entry DOI: 10.7270/Q2154GM1 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50236738
(3-ethyl-1-propyl-8-(1-(3-(trifluoromethyl)benzyl)-...)Show SMILES CCCn1c(=O)n(CC)c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C21H21F3N6O2/c1-3-8-30-19(31)16-18(29(4-2)20(30)32)27-17(26-16)14-10-25-28(12-14)11-13-6-5-7-15(9-13)21(22,23)24/h5-7,9-10,12H,3-4,8,11H2,1-2H3,(H,26,27) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
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]ZM-241385 from human recombinant adenosine A2B receptor expressed in HEK293 cells |
J Med Chem 51: 2267-78 (2008)
Article DOI: 10.1021/jm7014815 BindingDB Entry DOI: 10.7270/Q2MC90W2 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50176736
(CHEMBL200780 | N-(2-chlorophenyl)-2-(4-(2,6-dioxo-...)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC(=O)Nc2ccccc2Cl)c1 Show InChI InChI=1S/C22H24ClN7O3/c1-3-9-29-20-18(21(32)30(10-4-2)22(29)33)26-19(27-20)14-11-24-28(12-14)13-17(31)25-16-8-6-5-7-15(16)23/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H,25,31)(H,26,27) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| 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 Adenosine A2B receptor expressed in HEK cells |
Bioorg Med Chem Lett 16: 302-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.002 BindingDB Entry DOI: 10.7270/Q2154GM1 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50322846
(3-ethyl-1-propyl-8-(1-((pyridin-3-yl)methyl)-1H-py...)Show SMILES CCCn1c(=O)n(CC)c2nc([nH]c2c1=O)-c1cnn(c1)-c1cccnc1 Show InChI InChI=1S/C18H19N7O2/c1-3-8-24-17(26)14-16(23(4-2)18(24)27)22-15(21-14)12-9-20-25(11-12)13-6-5-7-19-10-13/h5-7,9-11H,3-4,8H2,1-2H3,(H,21,22) | 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]ZM-241385 from human recombinant adenosine A2B receptor expressed in HEK293 cells |
J Med Chem 51: 2267-78 (2008)
Article DOI: 10.1021/jm7014815 BindingDB Entry DOI: 10.7270/Q2MC90W2 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50322843
(1-(cyclopropylmethyl)-3-ethyl-8-(1-(3-(trifluorome...)Show SMILES CCn1c2nc([nH]c2c(=O)n(CC2CC2)c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C22H21F3N6O2/c1-2-30-19-17(20(32)31(21(30)33)11-13-6-7-13)27-18(28-19)15-9-26-29(12-15)10-14-4-3-5-16(8-14)22(23,24)25/h3-5,8-9,12-13H,2,6-7,10-11H2,1H3,(H,27,28) | 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]ZM-241385 from human recombinant adenosine A2B receptor expressed in HEK293 cells |
J Med Chem 51: 2267-78 (2008)
Article DOI: 10.1021/jm7014815 BindingDB Entry DOI: 10.7270/Q2MC90W2 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50159959
(8-{4-[3-(4-Fluoro-phenyl)-[1,2,4]oxadiazol-5-ylmet...)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2ccc(F)cc2)cc1 Show InChI InChI=1S/C26H25FN6O4/c1-3-13-32-24-21(25(34)33(14-4-2)26(32)35)29-22(30-24)16-7-11-19(12-8-16)36-15-20-28-23(31-37-20)17-5-9-18(27)10-6-17/h5-12H,3-4,13-15H2,1-2H3,(H,29,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >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 Binding affinity for adenosine A2a receptor labeled by [3H]-ZM-241,385 in membranes from HEK-A2A cells |
Bioorg Med Chem Lett 15: 609-12 (2005)
Article DOI: 10.1016/j.bmcl.2004.11.044 BindingDB Entry DOI: 10.7270/Q29K49QX |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50159970
(8-{4-[5-(2-Methoxy-phenyl)-[1,2,4]oxadiazol-3-ylme...)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2ccccc2OC)cc1 Show InChI InChI=1S/C27H28N6O5/c1-4-14-32-24-22(26(34)33(15-5-2)27(32)35)29-23(30-24)17-10-12-18(13-11-17)37-16-21-28-25(38-31-21)19-8-6-7-9-20(19)36-3/h6-13H,4-5,14-16H2,1-3H3,(H,29,30) | 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
| 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 Binding affinity against Adenosine A2a receptor labeled by [3H]-ZM-241,385 in membranes prepared from HEK-A2A cells |
Bioorg Med Chem Lett 15: 609-12 (2005)
Article DOI: 10.1016/j.bmcl.2004.11.044 BindingDB Entry DOI: 10.7270/Q29K49QX |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50376939
(CHEMBL410021)Show SMILES CCCn1c(=O)n(CC)c2nc([nH]c2c1=O)-c1cnn(Cc2noc(n2)-c2ccc(cc2)C(F)(F)F)c1 Show InChI InChI=1S/C23H21F3N8O3/c1-3-9-34-21(35)17-19(33(4-2)22(34)36)30-18(29-17)14-10-27-32(11-14)12-16-28-20(37-31-16)13-5-7-15(8-6-13)23(24,25)26/h5-8,10-11H,3-4,9,12H2,1-2H3,(H,29,30) | 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]ZM-241385 from human recombinant adenosine A2B receptor expressed in HEK293 cells |
J Med Chem 51: 2267-78 (2008)
Article DOI: 10.1021/jm7014815 BindingDB Entry DOI: 10.7270/Q2MC90W2 |
More data for this Ligand-Target Pair | |