Found 1221 hits with Last Name = 'malany' and Initial = 's' Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50297306
(CHEMBL540982 | {2-[3-(4-Fluoro-benzyl)-benzo[b]thi...)Show InChI InChI=1S/C19H20FNS/c1-21(2)12-11-19-17(13-14-7-9-15(20)10-8-14)16-5-3-4-6-18(16)22-19/h3-10H,11-13H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.0900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description Displacement of [3H]ketanserin from human 5HT2A receptor expressed in HEK293 Flp-In cells by liquid scintillation counting |
J Med Chem 52: 5307-10 (2009)
Article DOI: 10.1021/jm900933k BindingDB Entry DOI: 10.7270/Q2057G0S |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50297304
(CHEMBL560741 | {2-[3-(4-Fluoro-benzyl)-1H-inden-2-...)Show InChI InChI=1S/C20H22FN/c1-22(2)12-11-17-14-16-5-3-4-6-19(16)20(17)13-15-7-9-18(21)10-8-15/h3-10H,11-14H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 0.140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description Displacement of [3H]ketanserin from human 5HT2A receptor expressed in HEK293 Flp-In cells by liquid scintillation counting |
J Med Chem 52: 5307-10 (2009)
Article DOI: 10.1021/jm900933k BindingDB Entry DOI: 10.7270/Q2057G0S |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM26236
(CHEMBL487569 | N-[6-(3,5-dimethoxyphenyl)-2-(3,5-d...)Show SMILES COc1cc(OC)cc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C Show InChI InChI=1S/C19H21N5O3/c1-11-6-12(2)24(23-11)19-21-17(10-18(22-19)20-13(3)25)14-7-15(26-4)9-16(8-14)27-5/h6-10H,1-5H3,(H,20,21,22,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.190 | -54.9 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
Neurocrine Bioscience
| Assay Description The membranes prepared from HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in the pre... |
J Med Chem 51: 7099-7110 (2008)
Article DOI: 10.1021/jm800851u BindingDB Entry DOI: 10.7270/Q20R9MQG |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50372562
(CHEMBL255739)Show SMILES CN(C)Cc1ccc(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)cc1 Show InChI InChI=1S/C25H28N6O2/c1-16-12-17(2)31(29-16)23-14-22(27-25(28-23)21-11-6-18(3)33-21)26-24(32)13-19-7-9-20(10-8-19)15-30(4)5/h6-12,14H,13,15H2,1-5H3,(H,26,27,28,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 1269-73 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.036 BindingDB Entry DOI: 10.7270/Q2K35VGF |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM26236
(CHEMBL487569 | N-[6-(3,5-dimethoxyphenyl)-2-(3,5-d...)Show SMILES COc1cc(OC)cc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C Show InChI InChI=1S/C19H21N5O3/c1-11-6-12(2)24(23-11)19-21-17(10-18(22-19)20-13(3)25)14-7-15(26-4)9-16(8-14)27-5/h6-10H,1-5H3,(H,20,21,22,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 5402-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.048 BindingDB Entry DOI: 10.7270/Q28K78ZG |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50237067
(CHEMBL429125 | N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)...)Show SMILES COc1cc(CN(C)C)ccc1OCC(=O)Nc1cc(nc(n1)-c1ccc(C)o1)-n1nc(C)cc1C Show InChI InChI=1S/C26H30N6O4/c1-16-11-17(2)32(30-16)24-13-23(28-26(29-24)21-9-7-18(3)36-21)27-25(33)15-35-20-10-8-19(14-31(4)5)12-22(20)34-6/h7-13H,14-15H2,1-6H3,(H,27,28,29,33) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 1778-83 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.032 BindingDB Entry DOI: 10.7270/Q2VD6Z62 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM26250
(N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(pyrrolid...)Show SMILES CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cccc(n1)N1CCCC1 Show InChI InChI=1S/C20H23N7O/c1-13-11-14(2)27(25-13)20-23-17(12-18(24-20)21-15(3)28)16-7-6-8-19(22-16)26-9-4-5-10-26/h6-8,11-12H,4-5,9-10H2,1-3H3,(H,21,23,24,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 0.260 | -54.2 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
Neurocrine Bioscience
| Assay Description The membranes prepared from HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in the pre... |
J Med Chem 51: 7099-7110 (2008)
Article DOI: 10.1021/jm800851u BindingDB Entry DOI: 10.7270/Q20R9MQG |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50237082
(CHEMBL404863 | N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)...)Show SMILES CN(C)Cc1ccc(OCC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)cc1 Show InChI InChI=1S/C25H28N6O3/c1-16-12-17(2)31(29-16)23-13-22(27-25(28-23)21-11-6-18(3)34-21)26-24(32)15-33-20-9-7-19(8-10-20)14-30(4)5/h6-13H,14-15H2,1-5H3,(H,26,27,28,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 1778-83 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.032 BindingDB Entry DOI: 10.7270/Q2VD6Z62 |
More data for this Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50315206
((R)-2-(6-fluoro-3-(1-(thiazol-2-yl)ethyl)-1H-inden...)Show SMILES C[C@H](C1=C(CCN(C)C)Cc2cc(F)ccc12)c1nccs1 |r,c:2| Show InChI InChI=1S/C18H21FN2S/c1-12(18-20-7-9-22-18)17-13(6-8-21(2)3)10-14-11-15(19)4-5-16(14)17/h4-5,7,9,11-12H,6,8,10H2,1-3H3/t12-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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 |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description Binding affinity at histamine H1 receptor |
Bioorg Med Chem Lett 20: 2629-33 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.055 BindingDB Entry DOI: 10.7270/Q2NG4QSV |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50237083
(CHEMBL256124 | N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)...)Show SMILES CCN(C)Cc1cccc(OCC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)c1 Show InChI InChI=1S/C26H30N6O3/c1-6-31(5)15-20-8-7-9-21(13-20)34-16-25(33)27-23-14-24(32-18(3)12-17(2)30-32)29-26(28-23)22-11-10-19(4)35-22/h7-14H,6,15-16H2,1-5H3,(H,27,28,29,33) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description Binding affinity at adenosine A2A receptor |
Bioorg Med Chem Lett 18: 1778-83 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.032 BindingDB Entry DOI: 10.7270/Q2VD6Z62 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50237078
(CHEMBL256123 | N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)...)Show SMILES CCNCc1cccc(OCC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)c1 Show InChI InChI=1S/C25H28N6O3/c1-5-26-14-19-7-6-8-20(12-19)33-15-24(32)27-22-13-23(31-17(3)11-16(2)30-31)29-25(28-22)21-10-9-18(4)34-21/h6-13,26H,5,14-15H2,1-4H3,(H,27,28,29,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description Binding affinity at adenosine A2A receptor |
Bioorg Med Chem Lett 18: 1778-83 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.032 BindingDB Entry DOI: 10.7270/Q2VD6Z62 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50237065
(2-(3-(aminomethyl)phenoxy)-N-(6-(3,5-dimethyl-1H-p...)Show SMILES Cc1cc(C)n(n1)-c1cc(NC(=O)COc2cccc(CN)c2)nc(n1)-c1ccc(C)o1 Show InChI InChI=1S/C23H24N6O3/c1-14-9-15(2)29(28-14)21-11-20(26-23(27-21)19-8-7-16(3)32-19)25-22(30)13-31-18-6-4-5-17(10-18)12-24/h4-11H,12-13,24H2,1-3H3,(H,25,26,27,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description Binding affinity at adenosine A2A receptor |
Bioorg Med Chem Lett 18: 1778-83 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.032 BindingDB Entry DOI: 10.7270/Q2VD6Z62 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50237083
(CHEMBL256124 | N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)...)Show SMILES CCN(C)Cc1cccc(OCC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)c1 Show InChI InChI=1S/C26H30N6O3/c1-6-31(5)15-20-8-7-9-21(13-20)34-16-25(33)27-23-14-24(32-18(3)12-17(2)30-32)29-26(28-23)22-11-10-19(4)35-22/h7-14H,6,15-16H2,1-5H3,(H,27,28,29,33) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 1778-83 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.032 BindingDB Entry DOI: 10.7270/Q2VD6Z62 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50237078
(CHEMBL256123 | N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)...)Show SMILES CCNCc1cccc(OCC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)c1 Show InChI InChI=1S/C25H28N6O3/c1-5-26-14-19-7-6-8-20(12-19)33-15-24(32)27-22-13-23(31-17(3)11-16(2)30-31)29-25(28-22)21-10-9-18(4)34-21/h6-13,26H,5,14-15H2,1-4H3,(H,27,28,29,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 1778-83 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.032 BindingDB Entry DOI: 10.7270/Q2VD6Z62 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50237075
(CHEMBL253317 | N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)...)Show SMILES COc1cc(OCC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)ccc1CN(C)C Show InChI InChI=1S/C26H30N6O4/c1-16-11-17(2)32(30-16)24-13-23(28-26(29-24)21-10-7-18(3)36-21)27-25(33)15-35-20-9-8-19(14-31(4)5)22(12-20)34-6/h7-13H,14-15H2,1-6H3,(H,27,28,29,33) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 1778-83 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.032 BindingDB Entry DOI: 10.7270/Q2VD6Z62 |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50297310
((-)-Dimethyl-{2-[3-((R)-1-pyridin-2-yl-ethyl)-benz...)Show InChI InChI=1S/C19H22N2O/c1-14(16-9-6-7-12-20-16)19-15-8-4-5-10-17(15)22-18(19)11-13-21(2)3/h4-10,12,14H,11,13H2,1-3H3/t14-/m0/s1 | UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 0.320 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description Displacement of [3H]N-methylscopolamine from human muscarinic M1 receptor expressed in CHO Flp-In cells by liquid scintillation counting |
J Med Chem 52: 5307-10 (2009)
Article DOI: 10.1021/jm900933k BindingDB Entry DOI: 10.7270/Q2057G0S |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50237064
(CHEMBL401895 | N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)...)Show SMILES CN(C)Cc1cccc(OCC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)c1 Show InChI InChI=1S/C25H28N6O3/c1-16-11-17(2)31(29-16)23-13-22(27-25(28-23)21-10-9-18(3)34-21)26-24(32)15-33-20-8-6-7-19(12-20)14-30(4)5/h6-13H,14-15H2,1-5H3,(H,26,27,28,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 1778-83 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.032 BindingDB Entry DOI: 10.7270/Q2VD6Z62 |
More data for this Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50297307
(CHEMBL564226 | R-dimethindene)Show SMILES C[C@H](C1=C(CCN(C)C)Cc2ccccc12)c1ccccn1 |r,c:2| Show InChI InChI=1S/C20H24N2/c1-15(19-10-6-7-12-21-19)20-17(11-13-22(2)3)14-16-8-4-5-9-18(16)20/h4-10,12,15H,11,13-14H2,1-3H3/t15-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE 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 |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO Flp-In cells by liquid scintillation counting |
J Med Chem 52: 5307-10 (2009)
Article DOI: 10.1021/jm900933k BindingDB Entry DOI: 10.7270/Q2057G0S |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM26256
(N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(4-methox...)Show SMILES COC1CCN(CC1)c1cccc(n1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C Show InChI InChI=1S/C22H27N7O2/c1-14-12-15(2)29(27-14)22-25-19(13-20(26-22)23-16(3)30)18-6-5-7-21(24-18)28-10-8-17(31-4)9-11-28/h5-7,12-13,17H,8-11H2,1-4H3,(H,23,25,26,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.440 | -52.9 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
Neurocrine Bioscience
| Assay Description The membranes prepared from HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in the pre... |
J Med Chem 51: 7099-7110 (2008)
Article DOI: 10.1021/jm800851u BindingDB Entry DOI: 10.7270/Q20R9MQG |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM26255
(N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(3-methox...)Show SMILES COC1CN(C1)c1cccc(n1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C Show InChI InChI=1S/C20H23N7O2/c1-12-8-13(2)27(25-12)20-23-17(9-18(24-20)21-14(3)28)16-6-5-7-19(22-16)26-10-15(11-26)29-4/h5-9,15H,10-11H2,1-4H3,(H,21,23,24,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 0.470 | -52.7 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
Neurocrine Bioscience
| Assay Description The membranes prepared from HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in the pre... |
J Med Chem 51: 7099-7110 (2008)
Article DOI: 10.1021/jm800851u BindingDB Entry DOI: 10.7270/Q20R9MQG |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50237084
(CHEMBL403846 | N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)...)Show SMILES CN(C)CCc1cccc(OCC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)c1 Show InChI InChI=1S/C26H30N6O3/c1-17-13-18(2)32(30-17)24-15-23(28-26(29-24)22-10-9-19(3)35-22)27-25(33)16-34-21-8-6-7-20(14-21)11-12-31(4)5/h6-10,13-15H,11-12,16H2,1-5H3,(H,27,28,29,33) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 1778-83 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.032 BindingDB Entry DOI: 10.7270/Q2VD6Z62 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50237094
(CHEMBL256332 | N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)...)Show SMILES Cc1cc(C)n(n1)-c1cc(NC(=O)COc2cc(F)cc(CN3CCCC3)c2)nc(n1)-c1ccc(C)o1 Show InChI InChI=1S/C27H29FN6O3/c1-17-10-18(2)34(32-17)25-14-24(30-27(31-25)23-7-6-19(3)37-23)29-26(35)16-36-22-12-20(11-21(28)13-22)15-33-8-4-5-9-33/h6-7,10-14H,4-5,8-9,15-16H2,1-3H3,(H,29,30,31,35) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 1778-83 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.032 BindingDB Entry DOI: 10.7270/Q2VD6Z62 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50237076
(CHEMBL256331 | N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)...)Show SMILES CN(C)Cc1cc(F)cc(OCC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)c1 Show InChI InChI=1S/C25H27FN6O3/c1-15-8-16(2)32(30-15)23-12-22(28-25(29-23)21-7-6-17(3)35-21)27-24(33)14-34-20-10-18(13-31(4)5)9-19(26)11-20/h6-12H,13-14H2,1-5H3,(H,27,28,29,33) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 1778-83 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.032 BindingDB Entry DOI: 10.7270/Q2VD6Z62 |
More data for this Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50316938
(1-(4-fluorobenzyl)-2-(1-methylpiperidin-3-yl)-1H-b...)Show InChI InChI=1S/C20H22FN3/c1-23-12-4-5-16(14-23)20-22-18-6-2-3-7-19(18)24(20)13-15-8-10-17(21)11-9-15/h2-3,6-11,16H,4-5,12-14H2,1H3 | 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 |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description Antagonist activity at histamine H1 receptor |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115 BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM26251
(N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(piperidi...)Show SMILES CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cccc(n1)N1CCCCC1 Show InChI InChI=1S/C21H25N7O/c1-14-12-15(2)28(26-14)21-24-18(13-19(25-21)22-16(3)29)17-8-7-9-20(23-17)27-10-5-4-6-11-27/h7-9,12-13H,4-6,10-11H2,1-3H3,(H,22,24,25,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 0.560 | -52.3 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
Neurocrine Bioscience
| Assay Description The membranes prepared from HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in the pre... |
J Med Chem 51: 7099-7110 (2008)
Article DOI: 10.1021/jm800851u BindingDB Entry DOI: 10.7270/Q20R9MQG |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50232154
(CHEMBL401321 | N-(2-(furan-2-yl)-6-(1H-pyrazol-1-y...)Show InChI InChI=1S/C13H11N5O2/c1-9(19)15-11-8-12(18-6-3-5-14-18)17-13(16-11)10-4-2-7-20-10/h2-8H,1H3,(H,15,16,17,19) | 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
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 5402-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.048 BindingDB Entry DOI: 10.7270/Q28K78ZG |
More data for this Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50297304
(CHEMBL560741 | {2-[3-(4-Fluoro-benzyl)-1H-inden-2-...)Show InChI InChI=1S/C20H22FN/c1-22(2)12-11-17-14-16-5-3-4-6-19(16)20(17)13-15-7-9-18(21)10-8-15/h3-10H,11-14H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO Flp-In cells by liquid scintillation counting |
J Med Chem 52: 5307-10 (2009)
Article DOI: 10.1021/jm900933k BindingDB Entry DOI: 10.7270/Q2057G0S |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50297305
(CHEMBL559251 | Dimethyl-[2-(3-pyrazin-2ylmethyl-1H...)Show InChI InChI=1S/C18H21N3/c1-21(2)10-7-15-11-14-5-3-4-6-17(14)18(15)12-16-13-19-8-9-20-16/h3-6,8-9,13H,7,10-12H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description Displacement of [3H]ketanserin from human 5HT2A receptor expressed in HEK293 Flp-In cells by liquid scintillation counting |
J Med Chem 52: 5307-10 (2009)
Article DOI: 10.1021/jm900933k BindingDB Entry DOI: 10.7270/Q2057G0S |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM26235
(N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(2-fluoro-3-...)Show SMILES COc1cccc(c1F)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C Show InChI InChI=1S/C18H18FN5O2/c1-10-8-11(2)24(23-10)18-21-14(9-16(22-18)20-12(3)25)13-6-5-7-15(26-4)17(13)19/h5-9H,1-4H3,(H,20,21,22,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 0.600 | -52.1 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
Neurocrine Bioscience
| Assay Description The membranes prepared from HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in the pre... |
J Med Chem 51: 7099-7110 (2008)
Article DOI: 10.1021/jm800851u BindingDB Entry DOI: 10.7270/Q20R9MQG |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50232154
(CHEMBL401321 | N-(2-(furan-2-yl)-6-(1H-pyrazol-1-y...)Show InChI InChI=1S/C13H11N5O2/c1-9(19)15-11-8-12(18-6-3-5-14-18)17-13(16-11)10-4-2-7-20-10/h2-8H,1H3,(H,15,16,17,19) | 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
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description Binding affinity at adenosine A2A receptor |
Bioorg Med Chem Lett 18: 1778-83 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.032 BindingDB Entry DOI: 10.7270/Q2VD6Z62 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM26249
(N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(dimethyl...)Show SMILES CN(C)c1cccc(n1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C Show InChI InChI=1S/C18H21N7O/c1-11-9-12(2)25(23-11)18-21-15(10-16(22-18)19-13(3)26)14-7-6-8-17(20-14)24(4)5/h6-10H,1-5H3,(H,19,21,22,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 0.610 | -52.1 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
Neurocrine Bioscience
| Assay Description The membranes prepared from HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in the pre... |
J Med Chem 51: 7099-7110 (2008)
Article DOI: 10.1021/jm800851u BindingDB Entry DOI: 10.7270/Q20R9MQG |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50237072
(CHEMBL253528 | N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)...)Show SMILES Cc1cc(C)n(n1)-c1cc(NC(=O)COc2cc(C)nc(C)c2)nc(n1)-c1ccc(C)o1 Show InChI InChI=1S/C23H24N6O3/c1-13-9-18(10-14(2)24-13)31-12-22(30)25-20-11-21(29-16(4)8-15(3)28-29)27-23(26-20)19-7-6-17(5)32-19/h6-11H,12H2,1-5H3,(H,25,26,27,30) | 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 |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 1778-83 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.032 BindingDB Entry DOI: 10.7270/Q2VD6Z62 |
More data for this Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50315205
((R)-2-(6-fluoro-3-(1-(3-methoxypyrazin-2-yl)ethyl)...)Show SMILES COc1nccnc1[C@H](C)C1=C(CCN(C)C)Cc2cc(F)ccc12 |r,c:11| Show InChI InChI=1S/C20H24FN3O/c1-13(19-20(25-4)23-9-8-22-19)18-14(7-10-24(2)3)11-15-12-16(21)5-6-17(15)18/h5-6,8-9,12-13H,7,10-11H2,1-4H3/t13-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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 |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description Binding affinity at histamine H1 receptor |
Bioorg Med Chem Lett 20: 2629-33 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.055 BindingDB Entry DOI: 10.7270/Q2NG4QSV |
More data for this Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50315205
((R)-2-(6-fluoro-3-(1-(3-methoxypyrazin-2-yl)ethyl)...)Show SMILES COc1nccnc1[C@H](C)C1=C(CCN(C)C)Cc2cc(F)ccc12 |r,c:11| Show InChI InChI=1S/C20H24FN3O/c1-13(19-20(25-4)23-9-8-22-19)18-14(7-10-24(2)3)11-15-12-16(21)5-6-17(15)18/h5-6,8-9,12-13H,7,10-11H2,1-4H3/t13-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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 |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description Inhibition of histamine H1 receptor |
Bioorg Med Chem Lett 20: 5874-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.117 BindingDB Entry DOI: 10.7270/Q26W9BDC |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50237065
(2-(3-(aminomethyl)phenoxy)-N-(6-(3,5-dimethyl-1H-p...)Show SMILES Cc1cc(C)n(n1)-c1cc(NC(=O)COc2cccc(CN)c2)nc(n1)-c1ccc(C)o1 Show InChI InChI=1S/C23H24N6O3/c1-14-9-15(2)29(28-14)21-11-20(26-23(27-21)19-8-7-16(3)32-19)25-22(30)13-31-18-6-4-5-17(10-18)12-24/h4-11H,12-13,24H2,1-3H3,(H,25,26,27,30) | 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 |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 1778-83 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.032 BindingDB Entry DOI: 10.7270/Q2VD6Z62 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM26253
(N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(4-methyl...)Show SMILES CN1CCN(CC1)c1cccc(n1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C Show InChI InChI=1S/C21H26N8O/c1-14-12-15(2)29(26-14)21-24-18(13-19(25-21)22-16(3)30)17-6-5-7-20(23-17)28-10-8-27(4)9-11-28/h5-7,12-13H,8-11H2,1-4H3,(H,22,24,25,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 0.710 | -51.7 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
Neurocrine Bioscience
| Assay Description The membranes prepared from HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in the pre... |
J Med Chem 51: 7099-7110 (2008)
Article DOI: 10.1021/jm800851u BindingDB Entry DOI: 10.7270/Q20R9MQG |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM26254
(N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-{6-[(2-metho...)Show SMILES COCCN(C)c1cccc(n1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C Show InChI InChI=1S/C20H25N7O2/c1-13-11-14(2)27(25-13)20-23-17(12-18(24-20)21-15(3)28)16-7-6-8-19(22-16)26(4)9-10-29-5/h6-8,11-12H,9-10H2,1-5H3,(H,21,23,24,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.720 | -51.7 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
Neurocrine Bioscience
| Assay Description The membranes prepared from HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in the pre... |
J Med Chem 51: 7099-7110 (2008)
Article DOI: 10.1021/jm800851u BindingDB Entry DOI: 10.7270/Q20R9MQG |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50314264
((-)-(R)-2-(1-(2-(2-(azetidin-1-yl)ethyl)benzo[b]th...)Show SMILES C[C@H](c1c(CCN2CCC2)sc2ccccc12)c1ccccn1 |r| Show InChI InChI=1S/C20H22N2S/c1-15(17-8-4-5-11-21-17)20-16-7-2-3-9-18(16)23-19(20)10-14-22-12-6-13-22/h2-5,7-9,11,15H,6,10,12-14H2,1H3/t15-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.730 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description Inhibition of human ERG expressed in HEK cells assessed as blockade of potassium tail current by standard patch clamp analysis |
Bioorg Med Chem Lett 20: 2316-20 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.134 BindingDB Entry DOI: 10.7270/Q2P55PG0 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50372561
(CHEMBL255951)Show SMILES Cc1cc(C)n(n1)-c1cc(NC(=O)Cc2ccc(CN3CCOCC3)cc2)nc(n1)-c1ccc(C)o1 Show InChI InChI=1S/C27H30N6O3/c1-18-14-19(2)33(31-18)25-16-24(29-27(30-25)23-9-4-20(3)36-23)28-26(34)15-21-5-7-22(8-6-21)17-32-10-12-35-13-11-32/h4-9,14,16H,10-13,15,17H2,1-3H3,(H,28,29,30,34) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 1269-73 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.036 BindingDB Entry DOI: 10.7270/Q2K35VGF |
More data for this Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50315191
((R)-N,N-dimethyl-2-(3-(1-(thiazol-2-yl)ethyl)-1H-i...)Show SMILES C[C@H](C1=C(CCN(C)C)Cc2ccccc12)c1nccs1 |r,c:2| Show InChI InChI=1S/C18H22N2S/c1-13(18-19-9-11-21-18)17-15(8-10-20(2)3)12-14-6-4-5-7-16(14)17/h4-7,9,11,13H,8,10,12H2,1-3H3/t13-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description Binding affinity at histamine H1 receptor |
Bioorg Med Chem Lett 20: 2629-33 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.055 BindingDB Entry DOI: 10.7270/Q2NG4QSV |
More data for this Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50316936
(2-(1-methylpiperidin-3-yl)-1-(2-phenoxyethyl)-1H-b...)Show InChI InChI=1S/C21H25N3O/c1-23-13-7-8-17(16-23)21-22-19-11-5-6-12-20(19)24(21)14-15-25-18-9-3-2-4-10-18/h2-6,9-12,17H,7-8,13-16H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description Antagonist activity at histamine H1 receptor |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115 BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50361005
(CHEMBL1935442)Show SMILES Fc1ccc(Cn2c(nc3ccccc23)[C@H]2CNCCO2)cc1 |r| Show InChI InChI=1S/C18H18FN3O/c19-14-7-5-13(6-8-14)12-22-16-4-2-1-3-15(16)21-18(22)17-11-20-9-10-23-17/h1-8,17,20H,9-12H2/t17-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description Antagonist activity at histamine H1 receptor |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115 BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50315198
(2-(6-fluoro-3-((3-methoxypyrazin-2-yl)methyl)-1H-i...)Show SMILES COc1nccnc1CC1=C(CCN(C)C)Cc2cc(F)ccc12 |c:10| Show InChI InChI=1S/C19H22FN3O/c1-23(2)9-6-13-10-14-11-15(20)4-5-16(14)17(13)12-18-19(24-3)22-8-7-21-18/h4-5,7-8,11H,6,9-10,12H2,1-3H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description Binding affinity at histamine H1 receptor |
Bioorg Med Chem Lett 20: 2629-33 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.055 BindingDB Entry DOI: 10.7270/Q2NG4QSV |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM26247
(N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(morpholi...)Show SMILES CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cccc(n1)N1CCOCC1 Show InChI InChI=1S/C20H23N7O2/c1-13-11-14(2)27(25-13)20-23-17(12-18(24-20)21-15(3)28)16-5-4-6-19(22-16)26-7-9-29-10-8-26/h4-6,11-12H,7-10H2,1-3H3,(H,21,23,24,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.830 | -51.3 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
Neurocrine Bioscience
| Assay Description The membranes prepared from HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in the pre... |
J Med Chem 51: 7099-7110 (2008)
Article DOI: 10.1021/jm800851u BindingDB Entry DOI: 10.7270/Q20R9MQG |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM21174
(CHEMBL398272 | N-[2-(furan-2-yl)-6-(1,3-thiazol-2-...)Show SMILES CN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccco2)-c2nccs2)CC1 Show InChI InChI=1S/C18H20N6O2S/c1-23-5-7-24(8-6-23)12-16(25)21-15-11-13(18-19-4-10-27-18)20-17(22-15)14-3-2-9-26-14/h2-4,9-11H,5-8,12H2,1H3,(H,20,21,22,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description Displacement of [3H]ZM241385 from human recombinant adenosine A2A receptor expressed in HEK293 cells |
J Med Chem 51: 400-6 (2008)
Article DOI: 10.1021/jm070623o BindingDB Entry DOI: 10.7270/Q2WH2PQ9 |
More data for this Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50316940
((R)-1-(4-fluorobenzyl)-2-(1-methylpiperidin-3-yl)-...)Show SMILES CN1CCC[C@H](C1)c1nc2ccccc2n1Cc1ccc(F)cc1 |r| Show InChI InChI=1S/C20H22FN3/c1-23-12-4-5-16(14-23)20-22-18-6-2-3-7-19(18)24(20)13-15-8-10-17(21)11-9-15/h2-3,6-11,16H,4-5,12-14H2,1H3/t16-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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 |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description Antagonist activity at histamine H1 receptor |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115 BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50237068
(CHEMBL429850 | N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)...)Show SMILES COc1ccc(OCC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)c(CN(C)C)c1 Show InChI InChI=1S/C26H30N6O4/c1-16-11-17(2)32(30-16)24-13-23(28-26(29-24)22-9-7-18(3)36-22)27-25(33)15-35-21-10-8-20(34-6)12-19(21)14-31(4)5/h7-13H,14-15H2,1-6H3,(H,27,28,29,33) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 1778-83 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.032 BindingDB Entry DOI: 10.7270/Q2VD6Z62 |
More data for this Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50297310
((-)-Dimethyl-{2-[3-((R)-1-pyridin-2-yl-ethyl)-benz...)Show InChI InChI=1S/C19H22N2O/c1-14(16-9-6-7-12-20-16)19-15-8-4-5-10-17(15)22-18(19)11-13-21(2)3/h4-10,12,14H,11,13H2,1-3H3/t14-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO Flp-In cells by liquid scintillation counting |
J Med Chem 52: 5307-10 (2009)
Article DOI: 10.1021/jm900933k BindingDB Entry DOI: 10.7270/Q2057G0S |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM21174
(CHEMBL398272 | N-[2-(furan-2-yl)-6-(1,3-thiazol-2-...)Show SMILES CN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccco2)-c2nccs2)CC1 Show InChI InChI=1S/C18H20N6O2S/c1-23-5-7-24(8-6-23)12-16(25)21-15-11-13(18-19-4-10-27-18)20-17(22-15)14-3-2-9-26-14/h2-4,9-11H,5-8,12H2,1H3,(H,20,21,22,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.900 | -51.1 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
Neuroscience
| Assay Description The membranes prepared from Flp-In HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in ... |
J Med Chem 51: 1719-29 (2008)
Article DOI: 10.1021/jm701185v BindingDB Entry DOI: 10.7270/Q2W66J2J |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM26234
(CHEMBL486950 | N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)...)Show SMILES COc1cccc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C Show InChI InChI=1S/C18H19N5O2/c1-11-8-12(2)23(22-11)18-20-16(10-17(21-18)19-13(3)24)14-6-5-7-15(9-14)25-4/h5-10H,1-4H3,(H,19,20,21,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.920 | -51.1 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
Neurocrine Bioscience
| Assay Description The membranes prepared from HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in the pre... |
J Med Chem 51: 7099-7110 (2008)
Article DOI: 10.1021/jm800851u BindingDB Entry DOI: 10.7270/Q20R9MQG |
More data for this Ligand-Target Pair | |