Found 68 hits Enz. Inhib. hit(s) with all data for entry = 50031670 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)) | BDBM50317007
(2-amino-4-(furan-2-yl)-5H-indeno[1,2-d]pyrimidin-5...)Show InChI InChI=1S/C15H9N3O2/c16-15-17-12-8-4-1-2-5-9(8)14(19)11(12)13(18-15)10-6-3-7-20-10/h1-7H,(H2,16,17,18) | 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
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description Antagonist activity at adenosine A2A receptor |
Bioorg Med Chem Lett 20: 2864-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.042 BindingDB Entry DOI: 10.7270/Q2GB246H |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50161342
(2-Amino-4-phenyl-indeno[1,2-d]pyrimidin-5-one | 2-...)Show InChI InChI=1S/C17H11N3O/c18-17-19-14(10-6-2-1-3-7-10)13-15(20-17)11-8-4-5-9-12(11)16(13)21/h1-9H,(H2,18,19,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description Antagonist activity at adenosine A2A receptor |
Bioorg Med Chem Lett 20: 2864-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.042 BindingDB Entry DOI: 10.7270/Q2GB246H |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50317008
(2-amino-4-(5-chlorofuran-2-yl)-5H-indeno[1,2-d]pyr...)Show InChI InChI=1S/C15H8ClN3O2/c16-10-6-5-9(21-10)13-11-12(18-15(17)19-13)7-3-1-2-4-8(7)14(11)20/h1-6H,(H2,17,18,19) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description Antagonist activity at adenosine A2A receptor |
Bioorg Med Chem Lett 20: 2864-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.042 BindingDB Entry DOI: 10.7270/Q2GB246H |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50317007
(2-amino-4-(furan-2-yl)-5H-indeno[1,2-d]pyrimidin-5...)Show InChI InChI=1S/C15H9N3O2/c16-15-17-12-8-4-1-2-5-9(8)14(19)11(12)13(18-15)10-6-3-7-20-10/h1-7H,(H2,16,17,18) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description Antagonist activity at adenosine A1 receptor |
Bioorg Med Chem Lett 20: 2864-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.042 BindingDB Entry DOI: 10.7270/Q2GB246H |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50317011
(2-amino-4-(thiazol-2-yl)-5H-indeno[1,2-d]pyrimidin...)Show InChI InChI=1S/C14H8N4OS/c15-14-17-10-7-3-1-2-4-8(7)12(19)9(10)11(18-14)13-16-5-6-20-13/h1-6H,(H2,15,17,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description Antagonist activity at adenosine A2A receptor |
Bioorg Med Chem Lett 20: 2864-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.042 BindingDB Entry DOI: 10.7270/Q2GB246H |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50317008
(2-amino-4-(5-chlorofuran-2-yl)-5H-indeno[1,2-d]pyr...)Show InChI InChI=1S/C15H8ClN3O2/c16-10-6-5-9(21-10)13-11-12(18-15(17)19-13)7-3-1-2-4-8(7)14(11)20/h1-6H,(H2,17,18,19) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description Antagonist activity at adenosine A1 receptor |
Bioorg Med Chem Lett 20: 2864-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.042 BindingDB Entry DOI: 10.7270/Q2GB246H |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50317010
(2-amino-4-(thiophen-2-yl)-5H-indeno[1,2-d]pyrimidi...)Show InChI InChI=1S/C15H9N3OS/c16-15-17-12-8-4-1-2-5-9(8)14(19)11(12)13(18-15)10-6-3-7-20-10/h1-7H,(H2,16,17,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description Antagonist activity at adenosine A2A receptor |
Bioorg Med Chem Lett 20: 2864-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.042 BindingDB Entry DOI: 10.7270/Q2GB246H |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50317003
(2-amino-8-((morpholinoamino)methyl)-4-phenyl-5H-in...)Show SMILES Nc1nc2-c3cc(CNN4CCOCC4)ccc3C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C22H21N5O2/c23-22-25-19(15-4-2-1-3-5-15)18-20(26-22)17-12-14(6-7-16(17)21(18)28)13-24-27-8-10-29-11-9-27/h1-7,12,24H,8-11,13H2,(H2,23,25,26) | 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 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description Antagonist activity at adenosine A2A receptor |
Bioorg Med Chem Lett 20: 2864-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.042 BindingDB Entry DOI: 10.7270/Q2GB246H |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50161342
(2-Amino-4-phenyl-indeno[1,2-d]pyrimidin-5-one | 2-...)Show InChI InChI=1S/C17H11N3O/c18-17-19-14(10-6-2-1-3-7-10)13-15(20-17)11-8-4-5-9-12(11)16(13)21/h1-9H,(H2,18,19,20) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description Antagonist activity at adenosine A1 receptor |
Bioorg Med Chem Lett 20: 2864-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.042 BindingDB Entry DOI: 10.7270/Q2GB246H |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50317014
(2-amino-4-(3-methoxyphenyl)-5H-indeno[1,2-d]pyrimi...)Show InChI InChI=1S/C18H13N3O2/c1-23-11-6-4-5-10(9-11)15-14-16(21-18(19)20-15)12-7-2-3-8-13(12)17(14)22/h2-9H,1H3,(H2,19,20,21) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description Antagonist activity at adenosine A2A receptor |
Bioorg Med Chem Lett 20: 2864-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.042 BindingDB Entry DOI: 10.7270/Q2GB246H |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50317003
(2-amino-8-((morpholinoamino)methyl)-4-phenyl-5H-in...)Show SMILES Nc1nc2-c3cc(CNN4CCOCC4)ccc3C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C22H21N5O2/c23-22-25-19(15-4-2-1-3-5-15)18-20(26-22)17-12-14(6-7-16(17)21(18)28)13-24-27-8-10-29-11-9-27/h1-7,12,24H,8-11,13H2,(H2,23,25,26) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description Antagonist activity at adenosine A1 receptor |
Bioorg Med Chem Lett 20: 2864-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.042 BindingDB Entry DOI: 10.7270/Q2GB246H |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50316992
(2-amino-4-phenyl-9-(pyrrolidin-1-ylmethyl)-5H-inde...)Show SMILES Nc1nc2-c3c(cccc3CN3CCCC3)C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C22H20N4O/c23-22-24-19(14-7-2-1-3-8-14)18-20(25-22)17-15(13-26-11-4-5-12-26)9-6-10-16(17)21(18)27/h1-3,6-10H,4-5,11-13H2,(H2,23,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description Antagonist activity at adenosine A2A receptor |
Bioorg Med Chem Lett 20: 2864-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.042 BindingDB Entry DOI: 10.7270/Q2GB246H |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50317014
(2-amino-4-(3-methoxyphenyl)-5H-indeno[1,2-d]pyrimi...)Show InChI InChI=1S/C18H13N3O2/c1-23-11-6-4-5-10(9-11)15-14-16(21-18(19)20-15)12-7-2-3-8-13(12)17(14)22/h2-9H,1H3,(H2,19,20,21) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description Antagonist activity at adenosine A1 receptor |
Bioorg Med Chem Lett 20: 2864-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.042 BindingDB Entry DOI: 10.7270/Q2GB246H |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50316997
(2-amino-4-phenyl-8-((piperidin-1-ylamino)methyl)-5...)Show SMILES Nc1nc2-c3cc(CNN4CCCCC4)ccc3C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C23H23N5O/c24-23-26-20(16-7-3-1-4-8-16)19-21(27-23)18-13-15(9-10-17(18)22(19)29)14-25-28-11-5-2-6-12-28/h1,3-4,7-10,13,25H,2,5-6,11-12,14H2,(H2,24,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description Antagonist activity at adenosine A2A receptor |
Bioorg Med Chem Lett 20: 2864-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.042 BindingDB Entry DOI: 10.7270/Q2GB246H |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50317010
(2-amino-4-(thiophen-2-yl)-5H-indeno[1,2-d]pyrimidi...)Show InChI InChI=1S/C15H9N3OS/c16-15-17-12-8-4-1-2-5-9(8)14(19)11(12)13(18-15)10-6-3-7-20-10/h1-7H,(H2,16,17,18) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description Antagonist activity at adenosine A1 receptor |
Bioorg Med Chem Lett 20: 2864-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.042 BindingDB Entry DOI: 10.7270/Q2GB246H |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50317022
(2-amino-9-(morpholinomethyl)-4-phenyl-5H-indeno[1,...)Show SMILES Nc1nc2-c3c(cccc3CN3CCOCC3)C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C22H20N4O2/c23-22-24-19(14-5-2-1-3-6-14)18-20(25-22)17-15(7-4-8-16(17)21(18)27)13-26-9-11-28-12-10-26/h1-8H,9-13H2,(H2,23,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description Antagonist activity at adenosine A2A receptor |
Bioorg Med Chem Lett 20: 2864-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.042 BindingDB Entry DOI: 10.7270/Q2GB246H |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50316993
(2-amino-4-(4-fluorophenyl)-9-(pyrrolidin-1-ylmethy...)Show SMILES Nc1nc2-c3c(cccc3CN3CCCC3)C(=O)c2c(n1)-c1ccc(F)cc1 Show InChI InChI=1S/C22H19FN4O/c23-15-8-6-13(7-9-15)19-18-20(26-22(24)25-19)17-14(12-27-10-1-2-11-27)4-3-5-16(17)21(18)28/h3-9H,1-2,10-12H2,(H2,24,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description Antagonist activity at adenosine A2A receptor |
Bioorg Med Chem Lett 20: 2864-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.042 BindingDB Entry DOI: 10.7270/Q2GB246H |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50317023
(2-amino-4-(4-fluorophenyl)-9-(morpholinomethyl)-5H...)Show SMILES Nc1nc2-c3c(cccc3CN3CCOCC3)C(=O)c2c(n1)-c1ccc(F)cc1 Show InChI InChI=1S/C22H19FN4O2/c23-15-6-4-13(5-7-15)19-18-20(26-22(24)25-19)17-14(2-1-3-16(17)21(18)28)12-27-8-10-29-11-9-27/h1-7H,8-12H2,(H2,24,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description Antagonist activity at adenosine A2A receptor |
Bioorg Med Chem Lett 20: 2864-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.042 BindingDB Entry DOI: 10.7270/Q2GB246H |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50317004
(2-amino-4-phenyl-8-((pyrrolidin-1-ylamino)methyl)-...)Show SMILES Nc1nc2-c3cc(CNN4CCCC4)ccc3C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C22H21N5O/c23-22-25-19(15-6-2-1-3-7-15)18-20(26-22)17-12-14(8-9-16(17)21(18)28)13-24-27-10-4-5-11-27/h1-3,6-9,12,24H,4-5,10-11,13H2,(H2,23,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description Antagonist activity at adenosine A2A receptor |
Bioorg Med Chem Lett 20: 2864-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.042 BindingDB Entry DOI: 10.7270/Q2GB246H |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50317012
(2-amino-4-(pyridin-4-yl)-5H-indeno[1,2-d]pyrimidin...)Show InChI InChI=1S/C16H10N4O/c17-16-19-13(9-5-7-18-8-6-9)12-14(20-16)10-3-1-2-4-11(10)15(12)21/h1-8H,(H2,17,19,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description Antagonist activity at adenosine A2A receptor |
Bioorg Med Chem Lett 20: 2864-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.042 BindingDB Entry DOI: 10.7270/Q2GB246H |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50316995
(2-amino-8-((furan-2-ylmethylamino)methyl)-4-phenyl...)Show SMILES Nc1nc2-c3cc(CNCc4ccco4)ccc3C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C23H18N4O2/c24-23-26-20(15-5-2-1-3-6-15)19-21(27-23)18-11-14(8-9-17(18)22(19)28)12-25-13-16-7-4-10-29-16/h1-11,25H,12-13H2,(H2,24,26,27) | 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
| 5.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description Antagonist activity at adenosine A2A receptor |
Bioorg Med Chem Lett 20: 2864-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.042 BindingDB Entry DOI: 10.7270/Q2GB246H |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50317024
(3-(2-amino-9-(morpholinomethyl)-5-oxo-5H-indeno[1,...)Show SMILES Nc1nc2-c3c(cccc3CN3CCOCC3)C(=O)c2c(n1)-c1cccc(c1)C#N Show InChI InChI=1S/C23H19N5O2/c24-12-14-3-1-4-15(11-14)20-19-21(27-23(25)26-20)18-16(5-2-6-17(18)22(19)29)13-28-7-9-30-10-8-28/h1-6,11H,7-10,13H2,(H2,25,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description Antagonist activity at adenosine A2A receptor |
Bioorg Med Chem Lett 20: 2864-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.042 BindingDB Entry DOI: 10.7270/Q2GB246H |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50316996
(2-amino-4-phenyl-8-((pyridin-2-ylmethylamino)methy...)Show SMILES Nc1nc2-c3cc(CNCc4ccccn4)ccc3C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C24H19N5O/c25-24-28-21(16-6-2-1-3-7-16)20-22(29-24)19-12-15(9-10-18(19)23(20)30)13-26-14-17-8-4-5-11-27-17/h1-12,26H,13-14H2,(H2,25,28,29) | 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
| 5.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description Antagonist activity at adenosine A2A receptor |
Bioorg Med Chem Lett 20: 2864-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.042 BindingDB Entry DOI: 10.7270/Q2GB246H |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50317013
(2-amino-4-(4-chlorophenyl)-5H-indeno[1,2-d]pyrimid...)Show InChI InChI=1S/C17H10ClN3O/c18-10-7-5-9(6-8-10)14-13-15(21-17(19)20-14)11-3-1-2-4-12(11)16(13)22/h1-8H,(H2,19,20,21) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description Antagonist activity at adenosine A2A receptor |
Bioorg Med Chem Lett 20: 2864-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.042 BindingDB Entry DOI: 10.7270/Q2GB246H |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50317002
(2-amino-8-((4-oxopiperidin-1-ylamino)methyl)-4-phe...)Show SMILES Nc1nc2-c3cc(CNN4CCC(=O)CC4)ccc3C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C23H21N5O2/c24-23-26-20(15-4-2-1-3-5-15)19-21(27-23)18-12-14(6-7-17(18)22(19)30)13-25-28-10-8-16(29)9-11-28/h1-7,12,25H,8-11,13H2,(H2,24,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description Antagonist activity at adenosine A2A receptor |
Bioorg Med Chem Lett 20: 2864-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.042 BindingDB Entry DOI: 10.7270/Q2GB246H |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50317011
(2-amino-4-(thiazol-2-yl)-5H-indeno[1,2-d]pyrimidin...)Show InChI InChI=1S/C14H8N4OS/c15-14-17-10-7-3-1-2-4-8(7)12(19)9(10)11(18-14)13-16-5-6-20-13/h1-6H,(H2,15,17,18) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 6.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description Antagonist activity at adenosine A1 receptor |
Bioorg Med Chem Lett 20: 2864-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.042 BindingDB Entry DOI: 10.7270/Q2GB246H |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50317006
(2-amino-8-(((2-(dimethylamino)ethyl)(methyl)amino)...)Show SMILES CN(C)CCN(C)Cc1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1 Show InChI InChI=1S/C23H25N5O/c1-27(2)11-12-28(3)14-15-9-10-17-18(13-15)21-19(22(17)29)20(25-23(24)26-21)16-7-5-4-6-8-16/h4-10,13H,11-12,14H2,1-3H3,(H2,24,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description Antagonist activity at adenosine A2A receptor |
Bioorg Med Chem Lett 20: 2864-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.042 BindingDB Entry DOI: 10.7270/Q2GB246H |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50317020
(9-((4-acetylpiperazin-1-yl)methyl)-2-amino-4-pheny...)Show SMILES CC(=O)N1CCN(Cc2cccc3C(=O)c4c(nc(N)nc4-c4ccccc4)-c23)CC1 Show InChI InChI=1S/C24H23N5O2/c1-15(30)29-12-10-28(11-13-29)14-17-8-5-9-18-19(17)22-20(23(18)31)21(26-24(25)27-22)16-6-3-2-4-7-16/h2-9H,10-14H2,1H3,(H2,25,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description Antagonist activity at adenosine A2A receptor |
Bioorg Med Chem Lett 20: 2864-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.042 BindingDB Entry DOI: 10.7270/Q2GB246H |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50317021
(2-amino-9-(azepan-1-ylmethyl)-4-phenyl-5H-indeno[1...)Show SMILES Nc1nc2-c3c(cccc3CN3CCCCCC3)C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C24H24N4O/c25-24-26-21(16-9-4-3-5-10-16)20-22(27-24)19-17(11-8-12-18(19)23(20)29)15-28-13-6-1-2-7-14-28/h3-5,8-12H,1-2,6-7,13-15H2,(H2,25,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 8.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description Antagonist activity at adenosine A2A receptor |
Bioorg Med Chem Lett 20: 2864-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.042 BindingDB Entry DOI: 10.7270/Q2GB246H |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50316999
(2-amino-8-((4-methylpiperazin-1-ylamino)methyl)-4-...)Show SMILES CN1CCN(CC1)NCc1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1 Show InChI InChI=1S/C23H24N6O/c1-28-9-11-29(12-10-28)25-14-15-7-8-17-18(13-15)21-19(22(17)30)20(26-23(24)27-21)16-5-3-2-4-6-16/h2-8,13,25H,9-12,14H2,1H3,(H2,24,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 9.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description Antagonist activity at adenosine A2A receptor |
Bioorg Med Chem Lett 20: 2864-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.042 BindingDB Entry DOI: 10.7270/Q2GB246H |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50316998
(2-amino-4-(4-fluorophenyl)-8-((piperidin-1-ylamino...)Show SMILES Nc1nc2-c3cc(CNN4CCCCC4)ccc3C(=O)c2c(n1)-c1ccc(F)cc1 Show InChI InChI=1S/C23H22FN5O/c24-16-7-5-15(6-8-16)20-19-21(28-23(25)27-20)18-12-14(4-9-17(18)22(19)30)13-26-29-10-2-1-3-11-29/h4-9,12,26H,1-3,10-11,13H2,(H2,25,27,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 9.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description Antagonist activity at adenosine A2A receptor |
Bioorg Med Chem Lett 20: 2864-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.042 BindingDB Entry DOI: 10.7270/Q2GB246H |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50317009
(2-amino-4-(5-((2-(dimethylamino)ethyl)(methyl)amin...)Show SMILES CN(C)CCN(C)c1ccc(o1)-c1nc(N)nc2-c3ccccc3C(=O)c12 Show InChI InChI=1S/C20H21N5O2/c1-24(2)10-11-25(3)15-9-8-14(27-15)18-16-17(22-20(21)23-18)12-6-4-5-7-13(12)19(16)26/h4-9H,10-11H2,1-3H3,(H2,21,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 10.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description Antagonist activity at adenosine A2A receptor |
Bioorg Med Chem Lett 20: 2864-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.042 BindingDB Entry DOI: 10.7270/Q2GB246H |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50317019
(2-amino-9-((4-methylpiperazin-1-yl)methyl)-4-pheny...)Show SMILES CN1CCN(Cc2cccc3C(=O)c4c(nc(N)nc4-c4ccccc4)-c23)CC1 Show InChI InChI=1S/C23H23N5O/c1-27-10-12-28(13-11-27)14-16-8-5-9-17-18(16)21-19(22(17)29)20(25-23(24)26-21)15-6-3-2-4-7-15/h2-9H,10-14H2,1H3,(H2,24,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 11.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description Antagonist activity at adenosine A2A receptor |
Bioorg Med Chem Lett 20: 2864-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.042 BindingDB Entry DOI: 10.7270/Q2GB246H |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50316994
(2-amino-9-((2,5-dimethylpyrrolidin-1-yl)methyl)-4-...)Show SMILES CC1CCC(C)N1Cc1cccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c12 Show InChI InChI=1S/C24H24N4O/c1-14-11-12-15(2)28(14)13-17-9-6-10-18-19(17)22-20(23(18)29)21(26-24(25)27-22)16-7-4-3-5-8-16/h3-10,14-15H,11-13H2,1-2H3,(H2,25,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 11.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description Antagonist activity at adenosine A2A receptor |
Bioorg Med Chem Lett 20: 2864-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.042 BindingDB Entry DOI: 10.7270/Q2GB246H |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50317013
(2-amino-4-(4-chlorophenyl)-5H-indeno[1,2-d]pyrimid...)Show InChI InChI=1S/C17H10ClN3O/c18-10-7-5-9(6-8-10)14-13-15(21-17(19)20-14)11-3-1-2-4-12(11)16(13)22/h1-8H,(H2,19,20,21) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 11.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description Antagonist activity at adenosine A1 receptor |
Bioorg Med Chem Lett 20: 2864-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.042 BindingDB Entry DOI: 10.7270/Q2GB246H |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50316995
(2-amino-8-((furan-2-ylmethylamino)methyl)-4-phenyl...)Show SMILES Nc1nc2-c3cc(CNCc4ccco4)ccc3C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C23H18N4O2/c24-23-26-20(15-5-2-1-3-6-15)19-21(27-23)18-11-14(8-9-17(18)22(19)28)12-25-13-16-7-4-10-29-16/h1-11,25H,12-13H2,(H2,24,26,27) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 12.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description Antagonist activity at adenosine A1 receptor |
Bioorg Med Chem Lett 20: 2864-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.042 BindingDB Entry DOI: 10.7270/Q2GB246H |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50317005
(2-amino-4-(4-fluorophenyl)-8-((pyrrolidin-1-ylamin...)Show SMILES Nc1nc2-c3cc(CNN4CCCC4)ccc3C(=O)c2c(n1)-c1ccc(F)cc1 Show InChI InChI=1S/C22H20FN5O/c23-15-6-4-14(5-7-15)19-18-20(27-22(24)26-19)17-11-13(3-8-16(17)21(18)29)12-25-28-9-1-2-10-28/h3-8,11,25H,1-2,9-10,12H2,(H2,24,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 12.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description Antagonist activity at adenosine A2A receptor |
Bioorg Med Chem Lett 20: 2864-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.042 BindingDB Entry DOI: 10.7270/Q2GB246H |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50317001
(2-amino-8-((azepan-1-ylamino)methyl)-4-phenyl-5H-i...)Show SMILES Nc1nc2-c3cc(CNN4CCCCCC4)ccc3C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C24H25N5O/c25-24-27-21(17-8-4-3-5-9-17)20-22(28-24)19-14-16(10-11-18(19)23(20)30)15-26-29-12-6-1-2-7-13-29/h3-5,8-11,14,26H,1-2,6-7,12-13,15H2,(H2,25,27,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 12.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description Antagonist activity at adenosine A2A receptor |
Bioorg Med Chem Lett 20: 2864-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.042 BindingDB Entry DOI: 10.7270/Q2GB246H |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50317018
(2-amino-4-phenyl-9-(piperidin-1-ylmethyl)-5H-inden...)Show SMILES Nc1nc2-c3c(cccc3CN3CCCCC3)C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C23H22N4O/c24-23-25-20(15-8-3-1-4-9-15)19-21(26-23)18-16(10-7-11-17(18)22(19)28)14-27-12-5-2-6-13-27/h1,3-4,7-11H,2,5-6,12-14H2,(H2,24,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 14.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description Antagonist activity at adenosine A2A receptor |
Bioorg Med Chem Lett 20: 2864-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.042 BindingDB Entry DOI: 10.7270/Q2GB246H |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50317012
(2-amino-4-(pyridin-4-yl)-5H-indeno[1,2-d]pyrimidin...)Show InChI InChI=1S/C16H10N4O/c17-16-19-13(9-5-7-18-8-6-9)12-14(20-16)10-3-1-2-4-11(10)15(12)21/h1-8H,(H2,17,19,20) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 16.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description Antagonist activity at adenosine A1 receptor |
Bioorg Med Chem Lett 20: 2864-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.042 BindingDB Entry DOI: 10.7270/Q2GB246H |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50317004
(2-amino-4-phenyl-8-((pyrrolidin-1-ylamino)methyl)-...)Show SMILES Nc1nc2-c3cc(CNN4CCCC4)ccc3C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C22H21N5O/c23-22-25-19(15-6-2-1-3-7-15)18-20(26-22)17-12-14(8-9-16(17)21(18)28)13-24-27-10-4-5-11-27/h1-3,6-9,12,24H,4-5,10-11,13H2,(H2,23,25,26) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description Antagonist activity at adenosine A1 receptor |
Bioorg Med Chem Lett 20: 2864-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.042 BindingDB Entry DOI: 10.7270/Q2GB246H |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50317017
(2-amino-9-((diethylamino)methyl)-4-phenyl-5H-inden...)Show SMILES CCN(CC)Cc1cccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c12 Show InChI InChI=1S/C22H22N4O/c1-3-26(4-2)13-15-11-8-12-16-17(15)20-18(21(16)27)19(24-22(23)25-20)14-9-6-5-7-10-14/h5-12H,3-4,13H2,1-2H3,(H2,23,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 18.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description Antagonist activity at adenosine A2A receptor |
Bioorg Med Chem Lett 20: 2864-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.042 BindingDB Entry DOI: 10.7270/Q2GB246H |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50317006
(2-amino-8-(((2-(dimethylamino)ethyl)(methyl)amino)...)Show SMILES CN(C)CCN(C)Cc1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1 Show InChI InChI=1S/C23H25N5O/c1-27(2)11-12-28(3)14-15-9-10-17-18(13-15)21-19(22(17)29)20(25-23(24)26-21)16-7-5-4-6-8-16/h4-10,13H,11-12,14H2,1-3H3,(H2,24,25,26) | PDB
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 |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description Antagonist activity at adenosine A1 receptor |
Bioorg Med Chem Lett 20: 2864-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.042 BindingDB Entry DOI: 10.7270/Q2GB246H |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50316997
(2-amino-4-phenyl-8-((piperidin-1-ylamino)methyl)-5...)Show SMILES Nc1nc2-c3cc(CNN4CCCCC4)ccc3C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C23H23N5O/c24-23-26-20(16-7-3-1-4-8-16)19-21(27-23)18-13-15(9-10-17(18)22(19)29)14-25-28-11-5-2-6-12-28/h1,3-4,7-10,13,25H,2,5-6,11-12,14H2,(H2,24,26,27) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 20.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description Antagonist activity at adenosine A1 receptor |
Bioorg Med Chem Lett 20: 2864-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.042 BindingDB Entry DOI: 10.7270/Q2GB246H |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50316996
(2-amino-4-phenyl-8-((pyridin-2-ylmethylamino)methy...)Show SMILES Nc1nc2-c3cc(CNCc4ccccn4)ccc3C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C24H19N5O/c25-24-28-21(16-6-2-1-3-7-16)20-22(29-24)19-12-15(9-10-18(19)23(20)30)13-26-14-17-8-4-5-11-27-17/h1-12,26H,13-14H2,(H2,25,28,29) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 26.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description Antagonist activity at adenosine A1 receptor |
Bioorg Med Chem Lett 20: 2864-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.042 BindingDB Entry DOI: 10.7270/Q2GB246H |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50317000
(2-amino-4-(4-fluorophenyl)-8-((4-methylpiperazin-1...)Show SMILES CN1CCN(CC1)NCc1ccc2C(=O)c3c(nc(N)nc3-c3ccc(F)cc3)-c2c1 Show InChI InChI=1S/C23H23FN6O/c1-29-8-10-30(11-9-29)26-13-14-2-7-17-18(12-14)21-19(22(17)31)20(27-23(25)28-21)15-3-5-16(24)6-4-15/h2-7,12,26H,8-11,13H2,1H3,(H2,25,27,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 29.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description Antagonist activity at adenosine A2A receptor |
Bioorg Med Chem Lett 20: 2864-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.042 BindingDB Entry DOI: 10.7270/Q2GB246H |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50317015
(2-amino-4-(2-methoxyphenyl)-5H-indeno[1,2-d]pyrimi...)Show InChI InChI=1S/C18H13N3O2/c1-23-13-9-5-4-8-12(13)16-14-15(20-18(19)21-16)10-6-2-3-7-11(10)17(14)22/h2-9H,1H3,(H2,19,20,21) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 32.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description Antagonist activity at adenosine A2A receptor |
Bioorg Med Chem Lett 20: 2864-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.042 BindingDB Entry DOI: 10.7270/Q2GB246H |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50317022
(2-amino-9-(morpholinomethyl)-4-phenyl-5H-indeno[1,...)Show SMILES Nc1nc2-c3c(cccc3CN3CCOCC3)C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C22H20N4O2/c23-22-24-19(14-5-2-1-3-6-14)18-20(25-22)17-15(7-4-8-16(17)21(18)27)13-26-9-11-28-12-10-26/h1-8H,9-13H2,(H2,23,24,25) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 32.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description Antagonist activity at adenosine A1 receptor |
Bioorg Med Chem Lett 20: 2864-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.042 BindingDB Entry DOI: 10.7270/Q2GB246H |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50317020
(9-((4-acetylpiperazin-1-yl)methyl)-2-amino-4-pheny...)Show SMILES CC(=O)N1CCN(Cc2cccc3C(=O)c4c(nc(N)nc4-c4ccccc4)-c23)CC1 Show InChI InChI=1S/C24H23N5O2/c1-15(30)29-12-10-28(11-13-29)14-17-8-5-9-18-19(17)22-20(23(18)31)21(26-24(25)27-22)16-6-3-2-4-7-16/h2-9H,10-14H2,1H3,(H2,25,26,27) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 34.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description Antagonist activity at adenosine A1 receptor |
Bioorg Med Chem Lett 20: 2864-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.042 BindingDB Entry DOI: 10.7270/Q2GB246H |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50317009
(2-amino-4-(5-((2-(dimethylamino)ethyl)(methyl)amin...)Show SMILES CN(C)CCN(C)c1ccc(o1)-c1nc(N)nc2-c3ccccc3C(=O)c12 Show InChI InChI=1S/C20H21N5O2/c1-24(2)10-11-25(3)15-9-8-14(27-15)18-16-17(22-20(21)23-18)12-6-4-5-7-13(12)19(16)26/h4-9H,10-11H2,1-3H3,(H2,21,22,23) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description Antagonist activity at adenosine A1 receptor |
Bioorg Med Chem Lett 20: 2864-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.042 BindingDB Entry DOI: 10.7270/Q2GB246H |
More data for this Ligand-Target Pair | |