Found 28 hits Enz. Inhib. hit(s) with all data for entry = 50019213 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)) | BDBM50202775
(8-(furan-2-yl)-3-(2-(4-(4-methoxyphenyl)piperazin-...)Show SMILES COc1ccc(cc1)N1CCN(CCn2cnc3c2nc(N)n2nc(nc32)-c2ccco2)CC1 Show InChI InChI=1S/C23H25N9O2/c1-33-17-6-4-16(5-7-17)30-11-8-29(9-12-30)10-13-31-15-25-19-21(31)27-23(24)32-22(19)26-20(28-32)18-3-2-14-34-18/h2-7,14-15H,8-13H2,1H3,(H2,24,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering Plough Research Institute
Curated by ChEMBL
| Assay Description Antagonist activity at human adenosine A2A receptor |
Bioorg Med Chem Lett 17: 1659-62 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.104 BindingDB Entry DOI: 10.7270/Q2RF5TPQ |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50202777
(3-(2-(4-(4-chloro-2-fluorophenyl)piperazin-1-yl)et...)Show SMILES Nc1nc2n(CCN3CCN(CC3)c3ccc(Cl)cc3F)cnc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C22H21ClFN9O/c23-14-3-4-16(15(24)12-14)31-8-5-30(6-9-31)7-10-32-13-26-18-20(32)28-22(25)33-21(18)27-19(29-33)17-2-1-11-34-17/h1-4,11-13H,5-10H2,(H2,25,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering Plough Research Institute
Curated by ChEMBL
| Assay Description Antagonist activity at human adenosine A2A receptor |
Bioorg Med Chem Lett 17: 1659-62 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.104 BindingDB Entry DOI: 10.7270/Q2RF5TPQ |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50202771
(8-(furan-2-yl)-3-(2-(4-(4-(2-methoxyethoxy)-2-(tri...)Show SMILES COCCOc1ccc(N2CCN(CCn3cnc4c3nc(N)n3nc(nc43)-c3ccco3)CC2)c(c1)C(F)(F)F Show InChI InChI=1S/C26H28F3N9O3/c1-39-13-14-40-17-4-5-19(18(15-17)26(27,28)29)36-9-6-35(7-10-36)8-11-37-16-31-21-23(37)33-25(30)38-24(21)32-22(34-38)20-3-2-12-41-20/h2-5,12,15-16H,6-11,13-14H2,1H3,(H2,30,33) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering Plough Research Institute
Curated by ChEMBL
| Assay Description Antagonist activity at human adenosine A2A receptor |
Bioorg Med Chem Lett 17: 1659-62 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.104 BindingDB Entry DOI: 10.7270/Q2RF5TPQ |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50202788
(3-(2-(4-(3-chlorophenyl)piperazin-1-yl)ethyl)-8-(f...)Show SMILES Nc1nc2n(CCN3CCN(CC3)c3cccc(Cl)c3)cnc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C22H22ClN9O/c23-15-3-1-4-16(13-15)30-9-6-29(7-10-30)8-11-31-14-25-18-20(31)27-22(24)32-21(18)26-19(28-32)17-5-2-12-33-17/h1-5,12-14H,6-11H2,(H2,24,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering Plough Research Institute
Curated by ChEMBL
| Assay Description Antagonist activity at human adenosine A2A receptor |
Bioorg Med Chem Lett 17: 1659-62 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.104 BindingDB Entry DOI: 10.7270/Q2RF5TPQ |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50202790
(8-(furan-2-yl)-3-(2-(4-(4-(2-methoxyethoxy)phenyl)...)Show SMILES COCCOc1ccc(cc1)C1CCN(CCn2cnc3c2nc(N)n2nc(nc32)-c2ccco2)CC1 Show InChI InChI=1S/C26H30N8O3/c1-35-15-16-36-20-6-4-18(5-7-20)19-8-10-32(11-9-19)12-13-33-17-28-22-24(33)30-26(27)34-25(22)29-23(31-34)21-3-2-14-37-21/h2-7,14,17,19H,8-13,15-16H2,1H3,(H2,27,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering Plough Research Institute
Curated by ChEMBL
| Assay Description Antagonist activity at human adenosine A2A receptor |
Bioorg Med Chem Lett 17: 1659-62 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.104 BindingDB Entry DOI: 10.7270/Q2RF5TPQ |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50202779
(3-(2-(4-(2,4-difluorophenyl)piperazin-1-yl)ethyl)-...)Show SMILES Nc1nc2n(CCN3CCN(CC3)c3ccc(F)cc3F)cnc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C22H21F2N9O/c23-14-3-4-16(15(24)12-14)31-8-5-30(6-9-31)7-10-32-13-26-18-20(32)28-22(25)33-21(18)27-19(29-33)17-2-1-11-34-17/h1-4,11-13H,5-10H2,(H2,25,28) | 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
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering Plough Research Institute
Curated by ChEMBL
| Assay Description Antagonist activity at human adenosine A2A receptor |
Bioorg Med Chem Lett 17: 1659-62 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.104 BindingDB Entry DOI: 10.7270/Q2RF5TPQ |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50202769
(3-(2-(4-(2-fluoro-4-(2-methoxyethoxy)phenyl)pipera...)Show SMILES COCCOc1ccc(N2CCN(CCn3cnc4c3nc(N)n3nc(nc43)-c3ccco3)CC2)c(F)c1 Show InChI InChI=1S/C25H28FN9O3/c1-36-13-14-37-17-4-5-19(18(26)15-17)33-9-6-32(7-10-33)8-11-34-16-28-21-23(34)30-25(27)35-24(21)29-22(31-35)20-3-2-12-38-20/h2-5,12,15-16H,6-11,13-14H2,1H3,(H2,27,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering Plough Research Institute
Curated by ChEMBL
| Assay Description Antagonist activity at human adenosine A2A receptor |
Bioorg Med Chem Lett 17: 1659-62 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.104 BindingDB Entry DOI: 10.7270/Q2RF5TPQ |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50202773
(8-(furan-2-yl)-3-(2-(4-(4-(2-methoxyethoxy)phenyl)...)Show SMILES COCCOc1ccc(cc1)N1CCN(CCn2cnc3c2nc(N)n2nc(nc32)-c2ccco2)CC1 Show InChI InChI=1S/C25H29N9O3/c1-35-15-16-36-19-6-4-18(5-7-19)32-11-8-31(9-12-32)10-13-33-17-27-21-23(33)29-25(26)34-24(21)28-22(30-34)20-3-2-14-37-20/h2-7,14,17H,8-13,15-16H2,1H3,(H2,26,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering Plough Research Institute
Curated by ChEMBL
| Assay Description Antagonist activity at human adenosine A2A receptor |
Bioorg Med Chem Lett 17: 1659-62 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.104 BindingDB Entry DOI: 10.7270/Q2RF5TPQ |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50202766
(3-(2-(4-(4-fluorophenyl)piperidin-1-yl)ethyl)-8-(f...)Show SMILES Nc1nc2n(CCN3CCC(CC3)c3ccc(F)cc3)cnc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C23H23FN8O/c24-17-5-3-15(4-6-17)16-7-9-30(10-8-16)11-12-31-14-26-19-21(31)28-23(25)32-22(19)27-20(29-32)18-2-1-13-33-18/h1-6,13-14,16H,7-12H2,(H2,25,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering Plough Research Institute
Curated by ChEMBL
| Assay Description Antagonist activity at human adenosine A2A receptor |
Bioorg Med Chem Lett 17: 1659-62 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.104 BindingDB Entry DOI: 10.7270/Q2RF5TPQ |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50202783
(3-(2-(4-(5-chloropyridin-2-yl)piperazin-1-yl)ethyl...)Show SMILES Nc1nc2n(CCN3CCN(CC3)c3ccc(Cl)cn3)cnc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C21H21ClN10O/c22-14-3-4-16(24-12-14)30-8-5-29(6-9-30)7-10-31-13-25-17-19(31)27-21(23)32-20(17)26-18(28-32)15-2-1-11-33-15/h1-4,11-13H,5-10H2,(H2,23,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering Plough Research Institute
Curated by ChEMBL
| Assay Description Antagonist activity at human adenosine A2A receptor |
Bioorg Med Chem Lett 17: 1659-62 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.104 BindingDB Entry DOI: 10.7270/Q2RF5TPQ |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50202767
(8-(furan-2-yl)-3-(2-(4-(5-methylpyridin-2-yl)piper...)Show SMILES Cc1ccc(nc1)N1CCN(CCn2cnc3c2nc(N)n2nc(nc32)-c2ccco2)CC1 Show InChI InChI=1S/C22H24N10O/c1-15-4-5-17(24-13-15)30-9-6-29(7-10-30)8-11-31-14-25-18-20(31)27-22(23)32-21(18)26-19(28-32)16-3-2-12-33-16/h2-5,12-14H,6-11H2,1H3,(H2,23,27) | 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
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering Plough Research Institute
Curated by ChEMBL
| Assay Description Antagonist activity at human adenosine A2A receptor |
Bioorg Med Chem Lett 17: 1659-62 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.104 BindingDB Entry DOI: 10.7270/Q2RF5TPQ |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50202789
(3-(2-(4-(5-fluoropyrimidin-2-yl)piperazin-1-yl)eth...)Show SMILES Nc1nc2n(CCN3CCN(CC3)c3ncc(F)cn3)cnc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C20H20FN11O/c21-13-10-23-20(24-11-13)30-6-3-29(4-7-30)5-8-31-12-25-15-17(31)27-19(22)32-18(15)26-16(28-32)14-2-1-9-33-14/h1-2,9-12H,3-8H2,(H2,22,27) | 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
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering Plough Research Institute
Curated by ChEMBL
| Assay Description Antagonist activity at human adenosine A2A receptor |
Bioorg Med Chem Lett 17: 1659-62 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.104 BindingDB Entry DOI: 10.7270/Q2RF5TPQ |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50202772
(3-benzyl-8-(furan-2-yl)-3H-[1,2,4]triazolo[1,5-g]p...)Show InChI InChI=1S/C17H13N7O/c18-17-21-15-13(19-10-23(15)9-11-5-2-1-3-6-11)16-20-14(22-24(16)17)12-7-4-8-25-12/h1-8,10H,9H2,(H2,18,21) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering Plough Research Institute
Curated by ChEMBL
| Assay Description Antagonist activity at human adenosine A2A receptor |
Bioorg Med Chem Lett 17: 1659-62 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.104 BindingDB Entry DOI: 10.7270/Q2RF5TPQ |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50202765
(3-(2-chlorobenzyl)-8-(furan-2-yl)-3H-[1,2,4]triazo...)Show InChI InChI=1S/C17H12ClN7O/c18-11-5-2-1-4-10(11)8-24-9-20-13-15(24)22-17(19)25-16(13)21-14(23-25)12-6-3-7-26-12/h1-7,9H,8H2,(H2,19,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering Plough Research Institute
Curated by ChEMBL
| Assay Description Antagonist activity at human adenosine A2A receptor |
Bioorg Med Chem Lett 17: 1659-62 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.104 BindingDB Entry DOI: 10.7270/Q2RF5TPQ |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50202782
(8-(furan-2-yl)-3-(2-(4-(thiazol-2-yl)piperazin-1-y...)Show SMILES Nc1nc2n(CCN3CCN(CC3)c3nccs3)cnc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C19H20N10OS/c20-18-24-16-14(17-23-15(25-29(17)18)13-2-1-10-30-13)22-12-28(16)9-6-26-4-7-27(8-5-26)19-21-3-11-31-19/h1-3,10-12H,4-9H2,(H2,20,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering Plough Research Institute
Curated by ChEMBL
| Assay Description Antagonist activity at human adenosine A2A receptor |
Bioorg Med Chem Lett 17: 1659-62 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.104 BindingDB Entry DOI: 10.7270/Q2RF5TPQ |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50202787
(8-(furan-2-yl)-3-(2-(4-phenylpiperazin-1-yl)ethyl)...)Show SMILES Nc1nc2n(CCN3CCN(CC3)c3ccccc3)cnc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C22H23N9O/c23-22-26-20-18(21-25-19(27-31(21)22)17-7-4-14-32-17)24-15-30(20)13-10-28-8-11-29(12-9-28)16-5-2-1-3-6-16/h1-7,14-15H,8-13H2,(H2,23,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering Plough Research Institute
Curated by ChEMBL
| Assay Description Antagonist activity at human adenosine A2A receptor |
Bioorg Med Chem Lett 17: 1659-62 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.104 BindingDB Entry DOI: 10.7270/Q2RF5TPQ |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50202768
(8-(3-fluorophenyl)-3-(2-(4-(4-(2-methoxyethoxy)phe...)Show SMILES COCCOc1ccc(cc1)N1CCN(CCn2cnc3c2nc(N)n2nc(nc32)-c2cccc(F)c2)CC1 Show InChI InChI=1S/C27H30FN9O2/c1-38-15-16-39-22-7-5-21(6-8-22)35-12-9-34(10-13-35)11-14-36-18-30-23-25(36)32-27(29)37-26(23)31-24(33-37)19-3-2-4-20(28)17-19/h2-8,17-18H,9-16H2,1H3,(H2,29,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering Plough Research Institute
Curated by ChEMBL
| Assay Description Antagonist activity at human adenosine A2A receptor |
Bioorg Med Chem Lett 17: 1659-62 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.104 BindingDB Entry DOI: 10.7270/Q2RF5TPQ |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50202785
(3-(2-(4-(4-(2-methoxyethoxy)phenyl)piperazin-1-yl)...)Show SMILES COCCOc1ccc(cc1)N1CCN(CCn2cnc3c4nc(nn4c(N)nc23)-c2ccccc2)CC1 Show InChI InChI=1S/C27H31N9O2/c1-37-17-18-38-22-9-7-21(8-10-22)34-14-11-33(12-15-34)13-16-35-19-29-23-25(35)31-27(28)36-26(23)30-24(32-36)20-5-3-2-4-6-20/h2-10,19H,11-18H2,1H3,(H2,28,31) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering Plough Research Institute
Curated by ChEMBL
| Assay Description Antagonist activity at human adenosine A2A receptor |
Bioorg Med Chem Lett 17: 1659-62 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.104 BindingDB Entry DOI: 10.7270/Q2RF5TPQ |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50202784
(8-(furan-2-yl)-3-phenethyl-3H-[1,2,4]triazolo[1,5-...)Show InChI InChI=1S/C18H15N7O/c19-18-22-16-14(17-21-15(23-25(17)18)13-7-4-10-26-13)20-11-24(16)9-8-12-5-2-1-3-6-12/h1-7,10-11H,8-9H2,(H2,19,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering Plough Research Institute
Curated by ChEMBL
| Assay Description Antagonist activity at human adenosine A2A receptor |
Bioorg Med Chem Lett 17: 1659-62 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.104 BindingDB Entry DOI: 10.7270/Q2RF5TPQ |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50202776
(3-(2-(trifluoromethyl)benzyl)-8-(furan-2-yl)-3H-[1...)Show SMILES Nc1nc2n(Cc3ccccc3C(F)(F)F)cnc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C18H12F3N7O/c19-18(20,21)11-5-2-1-4-10(11)8-27-9-23-13-15(27)25-17(22)28-16(13)24-14(26-28)12-6-3-7-29-12/h1-7,9H,8H2,(H2,22,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering Plough Research Institute
Curated by ChEMBL
| Assay Description Antagonist activity at human adenosine A2A receptor |
Bioorg Med Chem Lett 17: 1659-62 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.104 BindingDB Entry DOI: 10.7270/Q2RF5TPQ |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50202774
(3-(2-bromobenzyl)-8-(furan-2-yl)-3H-[1,2,4]triazol...)Show InChI InChI=1S/C17H12BrN7O/c18-11-5-2-1-4-10(11)8-24-9-20-13-15(24)22-17(19)25-16(13)21-14(23-25)12-6-3-7-26-12/h1-7,9H,8H2,(H2,19,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering Plough Research Institute
Curated by ChEMBL
| Assay Description Antagonist activity at human adenosine A2A receptor |
Bioorg Med Chem Lett 17: 1659-62 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.104 BindingDB Entry DOI: 10.7270/Q2RF5TPQ |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50202780
(8-(furan-2-yl)-3-propyl-3H-[1,2,4]triazolo[1,5-g]p...)Show InChI InChI=1S/C13H13N7O/c1-2-5-19-7-15-9-11(19)17-13(14)20-12(9)16-10(18-20)8-4-3-6-21-8/h3-4,6-7H,2,5H2,1H3,(H2,14,17) | 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
| 5.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering Plough Research Institute
Curated by ChEMBL
| Assay Description Antagonist activity at human adenosine A2A receptor |
Bioorg Med Chem Lett 17: 1659-62 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.104 BindingDB Entry DOI: 10.7270/Q2RF5TPQ |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50202786
(8-(furan-2-yl)-3-(2-morpholinoethyl)-3H-[1,2,4]tri...)Show InChI InChI=1S/C16H18N8O2/c17-16-20-14-12(15-19-13(21-24(15)16)11-2-1-7-26-11)18-10-23(14)4-3-22-5-8-25-9-6-22/h1-2,7,10H,3-6,8-9H2,(H2,17,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering Plough Research Institute
Curated by ChEMBL
| Assay Description Antagonist activity at human adenosine A2A receptor |
Bioorg Med Chem Lett 17: 1659-62 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.104 BindingDB Entry DOI: 10.7270/Q2RF5TPQ |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50202792
(8-(2-fluorophenyl)-3-(2-(4-(4-(2-methoxyethoxy)phe...)Show SMILES COCCOc1ccc(cc1)N1CCN(CCn2cnc3c2nc(N)n2nc(nc32)-c2ccccc2F)CC1 Show InChI InChI=1S/C27H30FN9O2/c1-38-16-17-39-20-8-6-19(7-9-20)35-13-10-34(11-14-35)12-15-36-18-30-23-25(36)32-27(29)37-26(23)31-24(33-37)21-4-2-3-5-22(21)28/h2-9,18H,10-17H2,1H3,(H2,29,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 9.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering Plough Research Institute
Curated by ChEMBL
| Assay Description Antagonist activity at human adenosine A2A receptor |
Bioorg Med Chem Lett 17: 1659-62 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.104 BindingDB Entry DOI: 10.7270/Q2RF5TPQ |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50202791
(3-(2-(4-(4-(2-methoxyethoxy)phenyl)piperazin-1-yl)...)Show SMILES COCCOc1ccc(cc1)N1CCN(CCn2cnc3c2nc(N)n2nc(nc32)-c2ccccc2C(F)(F)F)CC1 Show InChI InChI=1S/C28H30F3N9O2/c1-41-16-17-42-20-8-6-19(7-9-20)38-13-10-37(11-14-38)12-15-39-18-33-23-25(39)35-27(32)40-26(23)34-24(36-40)21-4-2-3-5-22(21)28(29,30)31/h2-9,18H,10-17H2,1H3,(H2,32,35) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering Plough Research Institute
Curated by ChEMBL
| Assay Description Antagonist activity at human adenosine A2A receptor |
Bioorg Med Chem Lett 17: 1659-62 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.104 BindingDB Entry DOI: 10.7270/Q2RF5TPQ |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50202770
(3-(2-(4-(4-(2-methoxyethoxy)phenyl)piperazin-1-yl)...)Show SMILES COCCOc1ccc(cc1)N1CCN(CCn2cnc3c4nc(nn4c(N)nc23)-c2ccccn2)CC1 Show InChI InChI=1S/C26H30N10O2/c1-37-16-17-38-20-7-5-19(6-8-20)34-13-10-33(11-14-34)12-15-35-18-29-22-24(35)31-26(27)36-25(22)30-23(32-36)21-4-2-3-9-28-21/h2-9,18H,10-17H2,1H3,(H2,27,31) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 12.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering Plough Research Institute
Curated by ChEMBL
| Assay Description Antagonist activity at human adenosine A2A receptor |
Bioorg Med Chem Lett 17: 1659-62 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.104 BindingDB Entry DOI: 10.7270/Q2RF5TPQ |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50202781
(3-(2-(4-(4-(2-methoxyethoxy)phenyl)piperazin-1-yl)...)Show SMILES COCCOc1ccc(cc1)N1CCN(CCn2cnc3c4nc(nn4c(N)nc23)-c2ccccc2C)CC1 Show InChI InChI=1S/C28H33N9O2/c1-20-5-3-4-6-23(20)25-31-27-24-26(32-28(29)37(27)33-25)36(19-30-24)16-13-34-11-14-35(15-12-34)21-7-9-22(10-8-21)39-18-17-38-2/h3-10,19H,11-18H2,1-2H3,(H2,29,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 20.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering Plough Research Institute
Curated by ChEMBL
| Assay Description Antagonist activity at human adenosine A2A receptor |
Bioorg Med Chem Lett 17: 1659-62 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.104 BindingDB Entry DOI: 10.7270/Q2RF5TPQ |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50202778
(3-(2-{4-[4-(2-methoxy-ethoxy)-phenyl]-piperazin-1-...)Show SMILES COCCOc1ccc(cc1)N1CCN(CCn2cnc3c2nc(N)n2nc(nc32)-c2cccc[n+]2[O-])CC1 Show InChI InChI=1S/C26H30N10O3/c1-38-16-17-39-20-7-5-19(6-8-20)33-13-10-32(11-14-33)12-15-34-18-28-22-24(34)30-26(27)36-25(22)29-23(31-36)21-4-2-3-9-35(21)37/h2-9,18H,10-17H2,1H3,(H2,27,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 89.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering Plough Research Institute
Curated by ChEMBL
| Assay Description Antagonist activity at human adenosine A2A receptor |
Bioorg Med Chem Lett 17: 1659-62 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.104 BindingDB Entry DOI: 10.7270/Q2RF5TPQ |
More data for this Ligand-Target Pair | |