Compile Data Set for Download or QSAR

Found 88 hits Enz. Inhib. hit(s) with all data for entry = 50014869   

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))	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
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
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
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))	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
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))	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
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
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
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 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
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
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
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50580519 (CHEMBL5081556) Show SMILES Nc1nc2-c3ccc(OCCCN4CCCC4)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	180	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 A3 (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	199	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 A2a (Homo sapiens (Human))	BDBM50580523 (CHEMBL5093850) Show SMILES Nc1nc2-c3ccc(OCCCN4CCCCC4)cc3C(=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	203	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))	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	224	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 A3 (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	231	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
D(3) dopamine receptor (Homo sapiens)	BDBM50580515 (CHEMBL5088622) Show SMILES Nc1nc-2c(Cc3ccc(OCCCN4CCCC4)cc-23)c(n1)-c1ccccc1 Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]spiperone from human recombinant dopamine D3 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))	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 Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	295	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 A2b (Homo sapiens (Human))	BDBM50580518 (CHEMBL5089580) Show SMILES Nc1nc2-c3ccccc3C(=O)c2c(n1)-c1ccc(OCCCN2CCCCC2)cc1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	331	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
D(3) dopamine receptor (Homo sapiens)	BDBM50580522 (CHEMBL5082650) Show SMILES Nc1nc2-c3cc(OCCCN4CCCCC4)ccc3C(=O)c2c(n1)-c1ccccc1 Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	364	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]spiperone from human recombinant dopamine D3 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))	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	367	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 A3 (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 Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	430	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 A2a (Homo sapiens (Human))	BDBM50580512 (CHEMBL5072724) Show SMILES Nc1nc-2c(Cc3ccccc-23)c(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	717	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 A1 (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	828	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 A3 (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	846	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 A2a (Homo sapiens (Human))	BDBM50580514 (CHEMBL5093935) Show SMILES Nc1nc-2c(Cc3cc(OCCCN4CCCCC4)ccc-23)c(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	941	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

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