Compile Data Set for Download or QSAR

Found 144 hits with Last Name = 'affini' and Initial = 'a'   

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
Histamine H3 receptor (Homo sapiens (Human))	BDBM50580518 (CHEMBL5089580) Show SMILES Nc1nc2-c3ccccc3C(=O)c2c(n1)-c1ccc(OCCCN2CCCCC2)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H] N-alpha methylhistamine from human recombinant histamine H3 receptor expressed in HEK293 cells measured after 90 mins				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00914 BindingDB Entry DOI: 10.7270/Q22F7S8G
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50580523 (CHEMBL5093850) Show SMILES Nc1nc2-c3ccc(OCCCN4CCCCC4)cc3C(=O)c2c(n1)-c1ccc(OCCCN2CCCCC2)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H] N-alpha methylhistamine from human recombinant histamine H3 receptor expressed in HEK293 cells measured after 90 mins				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00914 BindingDB Entry DOI: 10.7270/Q22F7S8G
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50580512 (CHEMBL5072724) Show SMILES Nc1nc-2c(Cc3ccccc-23)c(n1)-c1ccc(OCCCN2CCCCC2)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H] N-alpha methylhistamine from human recombinant histamine H3 receptor expressed in HEK293 cells measured after 90 mins				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00914 BindingDB Entry DOI: 10.7270/Q22F7S8G
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50580514 (CHEMBL5093935) Show SMILES Nc1nc-2c(Cc3cc(OCCCN4CCCCC4)ccc-23)c(n1)-c1ccc(OCCCN2CCCCC2)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	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
TBA					Assay Description Displacement of [3H] N-alpha methylhistamine from human recombinant histamine H3 receptor expressed in HEK293 cells measured after 90 mins				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00914 BindingDB Entry DOI: 10.7270/Q22F7S8G
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50202986 (2-furan-2-yl-7-(2-{4-[4-(2-methoxy-ethoxy)-phenyl]...) Show SMILES COCCOc1ccc(cc1)N1CCN(CCn2ncc3c2nc(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)10-13-33-23-20(17-27-33)24-28-22(21-3-2-14-37-21)30-34(24)25(26)29-23/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	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.880	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]MSX-2 from human recombinant adenosine A2A receptor expressed in CHO cells by liquid scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00914 BindingDB Entry DOI: 10.7270/Q22F7S8G
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50458224 (CHEMBL2297871) Show SMILES O=C(C1CC1)c1ccc(OCCCN2CCCCC2)cc1 Show InChI InChI=1S/C18H25NO2/c20-18(15-5-6-15)16-7-9-17(10-8-16)21-14-4-13-19-11-2-1-3-12-19/h7-10,15H,1-6,11-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich Heine University Duesseldorf Curated by ChEMBL					Assay Description Displacement of [125I]iodoproxyfan from human H3R expressed in CHOK1 cell membranes after 60 mins by gamma counting method				Eur J Med Chem 148: 487-497 (2018) Article DOI: 10.1016/j.ejmech.2018.02.015 BindingDB Entry DOI: 10.7270/Q2Z89G1Q
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50458219 (CHEMBL4209497) Show SMILES O=C1\C(Cc2ccccc12)=C\c1ccc(OCCCN2CCCCC2)cc1 Show InChI InChI=1S/C24H27NO2/c26-24-21(18-20-7-2-3-8-23(20)24)17-19-9-11-22(12-10-19)27-16-6-15-25-13-4-1-5-14-25/h2-3,7-12,17H,1,4-6,13-16,18H2/b21-17+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich Heine University Duesseldorf Curated by ChEMBL					Assay Description Displacement of [3H]-N-alpha-methylhistamine from human H3R expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting method				Eur J Med Chem 148: 487-497 (2018) Article DOI: 10.1016/j.ejmech.2018.02.015 BindingDB Entry DOI: 10.7270/Q2Z89G1Q
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50458228 (CHEMBL4218833) Show SMILES Fc1ccc2C(=O)\C(Cc2c1)=C\c1ccc(OCCCN2CCCCC2)cc1 Show InChI InChI=1S/C24H26FNO2/c25-21-7-10-23-19(17-21)16-20(24(23)27)15-18-5-8-22(9-6-18)28-14-4-13-26-11-2-1-3-12-26/h5-10,15,17H,1-4,11-14,16H2/b20-15+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich Heine University Duesseldorf Curated by ChEMBL					Assay Description Displacement of [3H]-N-alpha-methylhistamine from human H3R expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting method				Eur J Med Chem 148: 487-497 (2018) Article DOI: 10.1016/j.ejmech.2018.02.015 BindingDB Entry DOI: 10.7270/Q2Z89G1Q
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50580516 (CHEMBL5094415) Show SMILES Nc1nc-2c(Cc3cc(OCCCN4CCCCC4)ccc-23)c(n1)-c1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H] N-alpha methylhistamine from human recombinant histamine H3 receptor expressed in HEK293 cells measured after 90 mins				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00914 BindingDB Entry DOI: 10.7270/Q22F7S8G
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50525644 (CHEMBL4545912) Show SMILES C#CCNC1CCc2cc(OCCCN3CCCCC3)ccc12 Show InChI InChI=1S/C20H28N2O/c1-2-11-21-20-10-7-17-16-18(8-9-19(17)20)23-15-6-14-22-12-4-3-5-13-22/h1,8-9,16,20-21H,3-7,10-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich Heine University D£sseldorf Curated by ChEMBL					Assay Description Displacement of [3H] N-alpha methylhistamine from human recombinant H3 receptor expressed in HEK293 cells incubated for 90 min				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.08.016 BindingDB Entry DOI: 10.7270/Q24B34RZ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50458234 (CHEMBL4212330) Show SMILES O=C1\C(Cc2cc(OCCCN3CCCCC3)ccc12)=C\c1ccccc1 Show InChI InChI=1S/C24H27NO2/c26-24-21(16-19-8-3-1-4-9-19)17-20-18-22(10-11-23(20)24)27-15-7-14-25-12-5-2-6-13-25/h1,3-4,8-11,16,18H,2,5-7,12-15,17H2/b21-16+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich Heine University Duesseldorf Curated by ChEMBL					Assay Description Displacement of [3H]-N-alpha-methylhistamine from human H3R expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting method				Eur J Med Chem 148: 487-497 (2018) Article DOI: 10.1016/j.ejmech.2018.02.015 BindingDB Entry DOI: 10.7270/Q2Z89G1Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50580522 (CHEMBL5082650) Show SMILES Nc1nc2-c3cc(OCCCN4CCCCC4)ccc3C(=O)c2c(n1)-c1ccccc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]MSX-2 from human recombinant adenosine A2A receptor expressed in CHO cells by liquid scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00914 BindingDB Entry DOI: 10.7270/Q22F7S8G
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50580517 (CHEMBL5084903) Show SMILES Nc1nc-2c(Cc3ccc(OCCCN4CCCCC4)cc-23)c(n1)-c1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H] N-alpha methylhistamine from human recombinant histamine H3 receptor expressed in HEK293 cells measured after 90 mins				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00914 BindingDB Entry DOI: 10.7270/Q22F7S8G
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50580517 (CHEMBL5084903) Show SMILES Nc1nc-2c(Cc3ccc(OCCCN4CCCCC4)cc-23)c(n1)-c1ccccc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]MSX-2 from human recombinant adenosine A2A receptor expressed in CHO cells by liquid scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00914 BindingDB Entry DOI: 10.7270/Q22F7S8G
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50580520 (CHEMBL5082920) Show SMILES Nc1nc2-c3cc(OCCCN4CCCC4)ccc3C(=O)c2c(n1)-c1ccccc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]MSX-2 from human recombinant adenosine A2A receptor expressed in CHO cells by liquid scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00914 BindingDB Entry DOI: 10.7270/Q22F7S8G
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50458227 (CHEMBL4205653) Show SMILES Brc1ccc(COc2ccc3C(=O)\C(Cc3c2)=C\c2ccc(OCCCN3CCCCC3)cc2)cc1 Show InChI InChI=1S/C31H32BrNO3/c32-27-9-5-24(6-10-27)22-36-29-13-14-30-25(21-29)20-26(31(30)34)19-23-7-11-28(12-8-23)35-18-4-17-33-15-2-1-3-16-33/h5-14,19,21H,1-4,15-18,20,22H2/b26-19+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich Heine University Duesseldorf Curated by ChEMBL					Assay Description Displacement of [3H]-N-alpha-methylhistamine from human H3R expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting method				Eur J Med Chem 148: 487-497 (2018) Article DOI: 10.1016/j.ejmech.2018.02.015 BindingDB Entry DOI: 10.7270/Q2Z89G1Q
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50525645 (CHEMBL4553116) Show SMILES C#CCNC1CCc2ccc(OCCCN3CCCCC3)cc12 Show InChI InChI=1S/C20H28N2O/c1-2-11-21-20-10-8-17-7-9-18(16-19(17)20)23-15-6-14-22-12-4-3-5-13-22/h1,7,9,16,20-21H,3-6,8,10-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich Heine University D£sseldorf Curated by ChEMBL					Assay Description Displacement of [3H] N-alpha methylhistamine from human recombinant H3 receptor expressed in HEK293 cells incubated for 90 min				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.08.016 BindingDB Entry DOI: 10.7270/Q24B34RZ
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50580515 (CHEMBL5088622) Show SMILES Nc1nc-2c(Cc3ccc(OCCCN4CCCC4)cc-23)c(n1)-c1ccccc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]MSX-2 from human recombinant adenosine A2A receptor expressed in CHO cells by liquid scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00914 BindingDB Entry DOI: 10.7270/Q22F7S8G
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50316887 (2-amino-8-(2-morpholinoethoxy)-4-phenyl-5H-indeno[...) Show SMILES Nc1nc2-c3cc(OCCN4CCOCC4)ccc3C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C23H22N4O3/c24-23-25-20(15-4-2-1-3-5-15)19-21(26-23)18-14-16(6-7-17(18)22(19)28)30-13-10-27-8-11-29-12-9-27/h1-7,14H,8-13H2,(H2,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	7.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]MSX-2 from human recombinant adenosine A2A receptor expressed in CHO cells by liquid scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00914 BindingDB Entry DOI: 10.7270/Q22F7S8G
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50525645 (CHEMBL4553116) Show SMILES C#CCNC1CCc2ccc(OCCCN3CCCCC3)cc12 Show InChI InChI=1S/C20H28N2O/c1-2-11-21-20-10-8-17-7-9-18(16-19(17)20)23-15-6-14-22-12-4-3-5-13-22/h1,7,9,16,20-21H,3-6,8,10-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich Heine University D£sseldorf Curated by ChEMBL					Assay Description Displacement of [3H] N-alpha methylhistamine from human recombinant H3 receptor expressed in HEK293 cells incubated for 90 min				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.08.016 BindingDB Entry DOI: 10.7270/Q24B34RZ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50525644 (CHEMBL4545912) Show SMILES C#CCNC1CCc2cc(OCCCN3CCCCC3)ccc12 Show InChI InChI=1S/C20H28N2O/c1-2-11-21-20-10-7-17-16-18(8-9-19(17)20)23-15-6-14-22-12-4-3-5-13-22/h1,8-9,16,20-21H,3-7,10-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich Heine University D£sseldorf Curated by ChEMBL					Assay Description Displacement of [3H] N-alpha methylhistamine from human recombinant H3 receptor expressed in HEK293 cells incubated for 90 min				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.08.016 BindingDB Entry DOI: 10.7270/Q24B34RZ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50458224 (CHEMBL2297871) Show SMILES O=C(C1CC1)c1ccc(OCCCN2CCCCC2)cc1 Show InChI InChI=1S/C18H25NO2/c20-18(15-5-6-15)16-7-9-17(10-8-16)21-14-4-13-19-11-2-1-3-12-19/h7-10,15H,1-6,11-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H] N-alpha methylhistamine from human recombinant histamine H3 receptor expressed in HEK293 cells measured after 90 mins				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00914 BindingDB Entry DOI: 10.7270/Q22F7S8G
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50458224 (CHEMBL2297871) Show SMILES O=C(C1CC1)c1ccc(OCCCN2CCCCC2)cc1 Show InChI InChI=1S/C18H25NO2/c20-18(15-5-6-15)16-7-9-17(10-8-16)21-14-4-13-19-11-2-1-3-12-19/h7-10,15H,1-6,11-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich Heine University Duesseldorf Curated by ChEMBL					Assay Description Displacement of [3H]-N-alpha-methylhistamine from human H3R expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting method				Eur J Med Chem 148: 487-497 (2018) Article DOI: 10.1016/j.ejmech.2018.02.015 BindingDB Entry DOI: 10.7270/Q2Z89G1Q
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50458229 (CHEMBL4214411) Show SMILES COc1ccc2C\C(=C/c3ccc(OCCCN4CCCCC4)cc3)C(=O)c2c1 Show InChI InChI=1S/C25H29NO3/c1-28-23-11-8-20-17-21(25(27)24(20)18-23)16-19-6-9-22(10-7-19)29-15-5-14-26-12-3-2-4-13-26/h6-11,16,18H,2-5,12-15,17H2,1H3/b21-16+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich Heine University Duesseldorf Curated by ChEMBL					Assay Description Displacement of [3H]-N-alpha-methylhistamine from human H3R expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting method				Eur J Med Chem 148: 487-497 (2018) Article DOI: 10.1016/j.ejmech.2018.02.015 BindingDB Entry DOI: 10.7270/Q2Z89G1Q
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50580522 (CHEMBL5082650) Show SMILES Nc1nc2-c3cc(OCCCN4CCCCC4)ccc3C(=O)c2c(n1)-c1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells by liquid scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00914 BindingDB Entry DOI: 10.7270/Q22F7S8G
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50580515 (CHEMBL5088622) Show SMILES Nc1nc-2c(Cc3ccc(OCCCN4CCCC4)cc-23)c(n1)-c1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H] N-alpha methylhistamine from human recombinant histamine H3 receptor expressed in HEK293 cells measured after 90 mins				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00914 BindingDB Entry DOI: 10.7270/Q22F7S8G
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50580513 (CHEMBL5094263) Show SMILES Nc1nc-2c(Cc3cc(OCCCN4CCCC4)ccc-23)c(n1)-c1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H] N-alpha methylhistamine from human recombinant histamine H3 receptor expressed in HEK293 cells measured after 90 mins				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00914 BindingDB Entry DOI: 10.7270/Q22F7S8G
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50580515 (CHEMBL5088622) Show SMILES Nc1nc-2c(Cc3ccc(OCCCN4CCCC4)cc-23)c(n1)-c1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells by liquid scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00914 BindingDB Entry DOI: 10.7270/Q22F7S8G
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50580520 (CHEMBL5082920) Show SMILES Nc1nc2-c3cc(OCCCN4CCCC4)ccc3C(=O)c2c(n1)-c1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells by liquid scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00914 BindingDB Entry DOI: 10.7270/Q22F7S8G
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50580520 (CHEMBL5082920) Show SMILES Nc1nc2-c3cc(OCCCN4CCCC4)ccc3C(=O)c2c(n1)-c1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H] N-alpha methylhistamine from human recombinant histamine H3 receptor expressed in HEK293 cells measured after 90 mins				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00914 BindingDB Entry DOI: 10.7270/Q22F7S8G
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50580517 (CHEMBL5084903) Show SMILES Nc1nc-2c(Cc3ccc(OCCCN4CCCCC4)cc-23)c(n1)-c1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells by liquid scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00914 BindingDB Entry DOI: 10.7270/Q22F7S8G
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50580519 (CHEMBL5081556) Show SMILES Nc1nc2-c3ccc(OCCCN4CCCC4)cc3C(=O)c2c(n1)-c1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H] N-alpha methylhistamine from human recombinant histamine H3 receptor expressed in HEK293 cells measured after 90 mins				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00914 BindingDB Entry DOI: 10.7270/Q22F7S8G
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50458226 (CHEMBL4217355) Show SMILES Brc1ccc(COc2ccc3C\C(=C/c4ccc(OCCCN5CCCCC5)cc4)C(=O)c3c2)cc1 Show InChI InChI=1S/C31H32BrNO3/c32-27-10-5-24(6-11-27)22-36-29-14-9-25-20-26(31(34)30(25)21-29)19-23-7-12-28(13-8-23)35-18-4-17-33-15-2-1-3-16-33/h5-14,19,21H,1-4,15-18,20,22H2/b26-19+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich Heine University Duesseldorf Curated by ChEMBL					Assay Description Displacement of [3H]-N-alpha-methylhistamine from human H3R expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting method				Eur J Med Chem 148: 487-497 (2018) Article DOI: 10.1016/j.ejmech.2018.02.015 BindingDB Entry DOI: 10.7270/Q2Z89G1Q
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50458231 (CHEMBL4204965) Show SMILES COc1ccc2C(=O)\C(Cc2c1)=C\c1ccc(OCCCN2CCCCC2)cc1 Show InChI InChI=1S/C25H29NO3/c1-28-23-10-11-24-20(18-23)17-21(25(24)27)16-19-6-8-22(9-7-19)29-15-5-14-26-12-3-2-4-13-26/h6-11,16,18H,2-5,12-15,17H2,1H3/b21-16+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich Heine University Duesseldorf Curated by ChEMBL					Assay Description Displacement of [3H]-N-alpha-methylhistamine from human H3R expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting method				Eur J Med Chem 148: 487-497 (2018) Article DOI: 10.1016/j.ejmech.2018.02.015 BindingDB Entry DOI: 10.7270/Q2Z89G1Q
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50580521 (CHEMBL5087059) Show SMILES Nc1nc2-c3ccc(OCCCN4CCCCC4)cc3C(=O)c2c(n1)-c1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H] N-alpha methylhistamine from human recombinant histamine H3 receptor expressed in HEK293 cells measured after 90 mins				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00914 BindingDB Entry DOI: 10.7270/Q22F7S8G
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50580518 (CHEMBL5089580) Show SMILES Nc1nc2-c3ccccc3C(=O)c2c(n1)-c1ccc(OCCCN2CCCCC2)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]MSX-2 from human recombinant adenosine A2A receptor expressed in CHO cells by liquid scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00914 BindingDB Entry DOI: 10.7270/Q22F7S8G
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50580515 (CHEMBL5088622) Show SMILES Nc1nc-2c(Cc3ccc(OCCCN4CCCC4)cc-23)c(n1)-c1ccccc1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]PSB-603 from human recombinant adenosine A2B receptor expressed in CHO cells by liquid scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00914 BindingDB Entry DOI: 10.7270/Q22F7S8G
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50458230 (CHEMBL4216392) Show SMILES O=C1\C(Cc2ccc(OCCCN3CCCCC3)cc12)=C\c1ccccc1 Show InChI InChI=1S/C24H27NO2/c26-24-21(16-19-8-3-1-4-9-19)17-20-10-11-22(18-23(20)24)27-15-7-14-25-12-5-2-6-13-25/h1,3-4,8-11,16,18H,2,5-7,12-15,17H2/b21-16+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich Heine University Duesseldorf Curated by ChEMBL					Assay Description Displacement of [3H]-N-alpha-methylhistamine from human H3R expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting method				Eur J Med Chem 148: 487-497 (2018) Article DOI: 10.1016/j.ejmech.2018.02.015 BindingDB Entry DOI: 10.7270/Q2Z89G1Q
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50580522 (CHEMBL5082650) Show SMILES Nc1nc2-c3cc(OCCCN4CCCCC4)ccc3C(=O)c2c(n1)-c1ccccc1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]PSB-603 from human recombinant adenosine A2B receptor expressed in CHO cells by liquid scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00914 BindingDB Entry DOI: 10.7270/Q22F7S8G
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50458225 (Ciproxifan) Show SMILES O=C(C1CC1)c1ccc(OCCCc2c[nH]cn2)cc1 Show InChI InChI=1S/C16H18N2O2/c19-16(12-3-4-12)13-5-7-15(8-6-13)20-9-1-2-14-10-17-11-18-14/h5-8,10-12H,1-4,9H2,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich Heine University Duesseldorf Curated by ChEMBL					Assay Description Binding affinity to human H3R				Eur J Med Chem 148: 487-497 (2018) Article DOI: 10.1016/j.ejmech.2018.02.015 BindingDB Entry DOI: 10.7270/Q2Z89G1Q
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50580520 (CHEMBL5082920) Show SMILES Nc1nc2-c3cc(OCCCN4CCCC4)ccc3C(=O)c2c(n1)-c1ccccc1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]PSB-603 from human recombinant adenosine A2B receptor expressed in CHO cells by liquid scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00914 BindingDB Entry DOI: 10.7270/Q22F7S8G
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50580522 (CHEMBL5082650) Show SMILES Nc1nc2-c3cc(OCCCN4CCCCC4)ccc3C(=O)c2c(n1)-c1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H] N-alpha methylhistamine from human recombinant histamine H3 receptor expressed in HEK293 cells measured after 90 mins				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00914 BindingDB Entry DOI: 10.7270/Q22F7S8G
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50580517 (CHEMBL5084903) Show SMILES Nc1nc-2c(Cc3ccc(OCCCN4CCCCC4)cc-23)c(n1)-c1ccccc1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]PSB-603 from human recombinant adenosine A2B receptor expressed in CHO cells by liquid scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00914 BindingDB Entry DOI: 10.7270/Q22F7S8G
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50580519 (CHEMBL5081556) Show SMILES Nc1nc2-c3ccc(OCCCN4CCCC4)cc3C(=O)c2c(n1)-c1ccccc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	104	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]MSX-2 from human recombinant adenosine A2A receptor expressed in CHO cells by liquid scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00914 BindingDB Entry DOI: 10.7270/Q22F7S8G
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50580521 (CHEMBL5087059) Show SMILES Nc1nc2-c3ccc(OCCCN4CCCCC4)cc3C(=O)c2c(n1)-c1ccccc1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	114	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]PSB-603 from human recombinant adenosine A2B receptor expressed in CHO cells by liquid scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00914 BindingDB Entry DOI: 10.7270/Q22F7S8G
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50580519 (CHEMBL5081556) Show SMILES Nc1nc2-c3ccc(OCCCN4CCCC4)cc3C(=O)c2c(n1)-c1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	129	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells by liquid scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00914 BindingDB Entry DOI: 10.7270/Q22F7S8G
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50580518 (CHEMBL5089580) Show SMILES Nc1nc2-c3ccccc3C(=O)c2c(n1)-c1ccc(OCCCN2CCCCC2)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	133	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells by liquid scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00914 BindingDB Entry DOI: 10.7270/Q22F7S8G
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50580521 (CHEMBL5087059) Show SMILES Nc1nc2-c3ccc(OCCCN4CCCCC4)cc3C(=O)c2c(n1)-c1ccccc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	142	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]MSX-2 from human recombinant adenosine A2A receptor expressed in CHO cells by liquid scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00914 BindingDB Entry DOI: 10.7270/Q22F7S8G
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50580515 (CHEMBL5088622) Show SMILES Nc1nc-2c(Cc3ccc(OCCCN4CCCC4)cc-23)c(n1)-c1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]PSB-11 from human recombinant adenosine A3 receptor expressed in CHO cells by liquid scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00914 BindingDB Entry DOI: 10.7270/Q22F7S8G
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50580522 (CHEMBL5082650) Show SMILES Nc1nc2-c3cc(OCCCN4CCCCC4)ccc3C(=O)c2c(n1)-c1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]PSB-11 from human recombinant adenosine A3 receptor expressed in CHO cells by liquid scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00914 BindingDB Entry DOI: 10.7270/Q22F7S8G
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 144 total )  |  Next  |  Last  >>

Jump to: