Compile Data Set for Download or QSAR

Found 215 hits with Last Name = 'spek' and Initial = 'al'   

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 1A (Rattus norvegicus (rat))	BDBM50020178 (CHEMBL294633 | CHEMBL555633 | N-[2-(4-Benzofuran-7...) Show SMILES Fc1ccc(cc1)C(=O)NCCN1CCN(CC1)c1cccc2ccoc12 Show InChI InChI=1S/C21H22FN3O2/c22-18-6-4-17(5-7-18)21(26)23-9-10-24-11-13-25(14-12-24)19-3-1-2-16-8-15-27-20(16)19/h1-8,15H,9-14H2,(H,23,26)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Binding affinity was evaluated by determining in vitro displacement of [3H]-8-OH-DPAT from the central 5-hydroxytryptamine 1A receptor recognition si...				J Med Chem 40: 300-12 (1997) Article DOI: 10.1021/jm960496o BindingDB Entry DOI: 10.7270/Q27W6B96
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50039824 (CHEMBL81728 | N-{2-[4-(2,3-Dihydro-benzo[1,4]dioxi...) Show SMILES Fc1ccc(cc1)C(=O)NCCN1CCN(CC1)c1cccc2OCCOc12 Show InChI InChI=1S/C21H24FN3O3/c22-17-6-4-16(5-7-17)21(26)23-8-9-24-10-12-25(13-11-24)18-2-1-3-19-20(18)28-15-14-27-19/h1-7H,8-15H2,(H,23,26)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Binding affinity was evaluated by determining in vitro displacement of [3H]-8-OH-DPAT from the central 5-hydroxytryptamine 1A receptor recognition si...				J Med Chem 40: 300-12 (1997) Article DOI: 10.1021/jm960496o BindingDB Entry DOI: 10.7270/Q27W6B96
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50056040 (CHEMBL107141 | Cyclohexanecarbothioic acid {2-[4-(...) Show SMILES COc1ccccc1N1CCN(CCNC(=S)C2CCCCC2)CC1 Show InChI InChI=1S/C20H31N3OS/c1-24-19-10-6-5-9-18(19)23-15-13-22(14-16-23)12-11-21-20(25)17-7-3-2-4-8-17/h5-6,9-10,17H,2-4,7-8,11-16H2,1H3,(H,21,25)	PDB KEGG UniProtKB/SwissProt 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
Solvay Pharma Curated by ChEMBL					Assay Description Binding affinity was evaluated by determining in vitro displacement of [3H]-8-OH-DPAT from the central 5-hydroxytryptamine 1A receptor recognition si...				J Med Chem 40: 300-12 (1997) Article DOI: 10.1021/jm960496o BindingDB Entry DOI: 10.7270/Q27W6B96
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50150945 (CHEBI:81390 | Immepip) Show SMILES C(C1CCNCC1)c1c[nH]cn1 Show InChI InChI=1S/C9H15N3/c1-3-10-4-2-8(1)5-9-6-11-7-12-9/h6-8,10H,1-5H2,(H,11,12)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	0.479	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Inhibitory activity measured by [3H]- N alpha- methyl-histamine binding to membranes of SK-N-MC cells expressing the human Histamine H3 receptor				J Med Chem 46: 5445-57 (2003) Article DOI: 10.1021/jm030905y BindingDB Entry DOI: 10.7270/Q2FN18X0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50056034 (CHEMBL108229 | Cyclohexanecarboxylic acid {2-[4-(2...) Show SMILES COc1ccccc1N1CCN(CCNC(=O)C2CCCCC2)CC1 Show InChI InChI=1S/C20H31N3O2/c1-25-19-10-6-5-9-18(19)23-15-13-22(14-16-23)12-11-21-20(24)17-7-3-2-4-8-17/h5-6,9-10,17H,2-4,7-8,11-16H2,1H3,(H,21,24)	PDB KEGG UniProtKB/SwissProt 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
Solvay Pharma Curated by ChEMBL					Assay Description Binding affinity was evaluated by determining in vitro displacement of [3H]-8-OH-DPAT from the central 5-hydroxytryptamine 1A receptor recognition si...				J Med Chem 40: 300-12 (1997) Article DOI: 10.1021/jm960496o BindingDB Entry DOI: 10.7270/Q27W6B96
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50019959 (1-(4-Fluoro-phenyl)-4-[4-(2-methoxy-phenyl)-pipera...) Show SMILES COc1ccccc1N1CCN(CCCC(=O)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C21H25FN2O2/c1-26-21-7-3-2-5-19(21)24-15-13-23(14-16-24)12-4-6-20(25)17-8-10-18(22)11-9-17/h2-3,5,7-11H,4,6,12-16H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Binding affinity was evaluated by determining in vitro displacement of [3H]-8-OH-DPAT from the central 5-hydroxytryptamine 1A receptor recognition si...				J Med Chem 40: 300-12 (1997) Article DOI: 10.1021/jm960496o BindingDB Entry DOI: 10.7270/Q27W6B96
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50056029 (CHEMBL316960 | N-{2-[4-(2,3-Dihydro-benzo[1,4]diox...) Show SMILES CC1CN(CC(C)N1CCNC(=O)c1ccc(F)cc1)c1cccc2OCCOc12 Show InChI InChI=1S/C23H28FN3O3/c1-16-14-26(20-4-3-5-21-22(20)30-13-12-29-21)15-17(2)27(16)11-10-25-23(28)18-6-8-19(24)9-7-18/h3-9,16-17H,10-15H2,1-2H3,(H,25,28)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Binding affinity was evaluated by determining in vitro displacement of [3H]-8-OH-DPAT from the central 5-hydroxytryptamine 1A receptor recognition si...				J Med Chem 40: 300-12 (1997) Article DOI: 10.1021/jm960496o BindingDB Entry DOI: 10.7270/Q27W6B96
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50019960 (4-Fluoro-N-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl...) Show SMILES COc1ccccc1N1CCN(CCNC(=O)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C20H24FN3O2/c1-26-19-5-3-2-4-18(19)24-14-12-23(13-15-24)11-10-22-20(25)16-6-8-17(21)9-7-16/h2-9H,10-15H2,1H3,(H,22,25)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Binding affinity was evaluated by determining in vitro displacement of [3H]-8-OH-DPAT from the central 5-hydroxytryptamine 1A receptor recognition si...				J Med Chem 40: 300-12 (1997) Article DOI: 10.1021/jm960496o BindingDB Entry DOI: 10.7270/Q27W6B96
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Rattus norvegicus)	BDBM50118812 ((2S,3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-iodo-benzylami...) Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r| Show InChI InChI=1S/C18H19IN6O4/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-3-2-4-10(19)5-9/h2-5,7-8,12-14,18,26-27H,6H2,1H3,(H,20,28)(H,21,22,23)/t12-,13+,14-,18+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Binding affinity for rat adenosine A3 receptor				J Med Chem 42: 1384-92 (1999) Article DOI: 10.1021/jm9804984 BindingDB Entry DOI: 10.7270/Q2X34Z4X
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50056026 (1-[4-(4-Fluoro-phenyl)-butyl]-4-(2-methoxy-phenyl)...) Show SMILES COc1ccccc1N1CCN(CCCCc2ccc(F)cc2)CC1 Show InChI InChI=1S/C21H27FN2O/c1-25-21-8-3-2-7-20(21)24-16-14-23(15-17-24)13-5-4-6-18-9-11-19(22)12-10-18/h2-3,7-12H,4-6,13-17H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Binding affinity was evaluated by determining in vitro displacement of [3H]-8-OH-DPAT from the central 5-hydroxytryptamine 1A receptor recognition si...				J Med Chem 40: 300-12 (1997) Article DOI: 10.1021/jm960496o BindingDB Entry DOI: 10.7270/Q27W6B96
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50118812 ((2S,3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-iodo-benzylami...) Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r| Show InChI InChI=1S/C18H19IN6O4/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-3-2-4-10(19)5-9/h2-5,7-8,12-14,18,26-27H,6H2,1H3,(H,20,28)(H,21,22,23)/t12-,13+,14-,18+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from membranes of HEK 293 cells expressing human Adenosine A3 receptor				J Med Chem 42: 1384-92 (1999) Article DOI: 10.1021/jm9804984 BindingDB Entry DOI: 10.7270/Q2X34Z4X
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50056024 (CHEMBL106854 | N-{2-[4-(2-Methoxy-phenyl)-piperazi...) Show SMILES COc1ccccc1N1CCN(CCNC(=O)c2ccccc2)CC1 Show InChI InChI=1S/C20H25N3O2/c1-25-19-10-6-5-9-18(19)23-15-13-22(14-16-23)12-11-21-20(24)17-7-3-2-4-8-17/h2-10H,11-16H2,1H3,(H,21,24)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Binding affinity was evaluated by determining in vitro displacement of [3H]-8-OH-DPAT from the central 5-hydroxytryptamine 1A receptor recognition si...				J Med Chem 40: 300-12 (1997) Article DOI: 10.1021/jm960496o BindingDB Entry DOI: 10.7270/Q27W6B96
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50474424 (CHEMBL153051) Show SMILES [H][C@@]1(Cc2c[nH]cn2)CCNC1 Show InChI InChI=1S/C8H13N3/c1-2-9-4-7(1)3-8-5-10-6-11-8/h5-7,9H,1-4H2,(H,10,11)/t7-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Inhibitory activity measured by [3H]- N alpha- methyl-histamine binding to membranes of SK-N-MC cells expressing the human Histamine H3 receptor				J Med Chem 46: 5445-57 (2003) Article DOI: 10.1021/jm030905y BindingDB Entry DOI: 10.7270/Q2FN18X0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50056027 (CHEMBL419910 | Thiophene-2-carboxylic acid {2-[4-(...) Show SMILES COc1ccccc1N1CCN(CCNC(=O)c2cccs2)CC1 Show InChI InChI=1S/C18H23N3O2S/c1-23-16-6-3-2-5-15(16)21-12-10-20(11-13-21)9-8-19-18(22)17-7-4-14-24-17/h2-7,14H,8-13H2,1H3,(H,19,22)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Binding affinity was evaluated by determining in vitro displacement of [3H]-8-OH-DPAT from the central 5-hydroxytryptamine 1A receptor recognition si...				J Med Chem 40: 300-12 (1997) Article DOI: 10.1021/jm960496o BindingDB Entry DOI: 10.7270/Q27W6B96
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50454759 (Flesinoxan) Show SMILES [H][C@]1(CO)COc2c(O1)cccc2N1CCN(CCNC(=O)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C22H26FN3O4/c23-17-6-4-16(5-7-17)22(28)24-8-9-25-10-12-26(13-11-25)19-2-1-3-20-21(19)29-15-18(14-27)30-20/h1-7,18,27H,8-15H2,(H,24,28)/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Binding affinity was evaluated by determining in vitro displacement of [3H]-8-OH-DPAT from the central 5-hydroxytryptamine 1A receptor recognition si...				J Med Chem 40: 300-12 (1997) Article DOI: 10.1021/jm960496o BindingDB Entry DOI: 10.7270/Q27W6B96
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50056023 (1-[(E)-4-(4-Fluoro-phenyl)-but-3-enyl]-4-(2-methox...) Show SMILES COc1ccccc1N1CCN(CC\C=C\c2ccc(F)cc2)CC1 Show InChI InChI=1S/C21H25FN2O/c1-25-21-8-3-2-7-20(21)24-16-14-23(15-17-24)13-5-4-6-18-9-11-19(22)12-10-18/h2-4,6-12H,5,13-17H2,1H3/b6-4+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Binding affinity was evaluated by determining in vitro displacement of [3H]-8-OH-DPAT from the central 5-hydroxytryptamine 1A receptor recognition si...				J Med Chem 40: 300-12 (1997) Article DOI: 10.1021/jm960496o BindingDB Entry DOI: 10.7270/Q27W6B96
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50056039 (1-(4-Fluoro-phenyl)-4-[4-(2-methoxy-phenyl)-pipera...) Show SMILES COc1ccccc1N1CCN(CCCC(O)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C21H27FN2O2/c1-26-21-7-3-2-5-19(21)24-15-13-23(14-16-24)12-4-6-20(25)17-8-10-18(22)11-9-17/h2-3,5,7-11,20,25H,4,6,12-16H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Binding affinity was evaluated by determining in vitro displacement of [3H]-8-OH-DPAT from the central 5-hydroxytryptamine 1A receptor recognition si...				J Med Chem 40: 300-12 (1997) Article DOI: 10.1021/jm960496o BindingDB Entry DOI: 10.7270/Q27W6B96
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50019959 (1-(4-Fluoro-phenyl)-4-[4-(2-methoxy-phenyl)-pipera...) Show SMILES COc1ccccc1N1CCN(CCCC(=O)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C21H25FN2O2/c1-26-21-7-3-2-5-19(21)24-15-13-23(14-16-24)12-4-6-20(25)17-8-10-18(22)11-9-17/h2-3,5,7-11H,4,6,12-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description In vitro displacement of [3H]-spiperone from Dopamine receptor D2 binding site in rat striatum.				J Med Chem 40: 300-12 (1997) Article DOI: 10.1021/jm960496o BindingDB Entry DOI: 10.7270/Q27W6B96
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50056038 (1-[3-(4-Fluoro-phenoxy)-propyl]-4-(2-methoxy-pheny...) Show SMILES COc1ccccc1N1CCN(CCCOc2ccc(F)cc2)CC1 Show InChI InChI=1S/C20H25FN2O2/c1-24-20-6-3-2-5-19(20)23-14-12-22(13-15-23)11-4-16-25-18-9-7-17(21)8-10-18/h2-3,5-10H,4,11-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description In vitro displacement of [3H]-spiperone from Dopamine receptor D2 binding site in rat striatum.				J Med Chem 40: 300-12 (1997) Article DOI: 10.1021/jm960496o BindingDB Entry DOI: 10.7270/Q27W6B96
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50056026 (1-[4-(4-Fluoro-phenyl)-butyl]-4-(2-methoxy-phenyl)...) Show SMILES COc1ccccc1N1CCN(CCCCc2ccc(F)cc2)CC1 Show InChI InChI=1S/C21H27FN2O/c1-25-21-8-3-2-7-20(21)24-16-14-23(15-17-24)13-5-4-6-18-9-11-19(22)12-10-18/h2-3,7-12H,4-6,13-17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description In vitro displacement of [3H]-spiperone from Dopamine receptor D2 binding site in rat striatum.				J Med Chem 40: 300-12 (1997) Article DOI: 10.1021/jm960496o BindingDB Entry DOI: 10.7270/Q27W6B96
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50056038 (1-[3-(4-Fluoro-phenoxy)-propyl]-4-(2-methoxy-pheny...) Show SMILES COc1ccccc1N1CCN(CCCOc2ccc(F)cc2)CC1 Show InChI InChI=1S/C20H25FN2O2/c1-24-20-6-3-2-5-19(20)23-14-12-22(13-15-23)11-4-16-25-18-9-7-17(21)8-10-18/h2-3,5-10H,4,11-16H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Binding affinity was evaluated by determining in vitro displacement of [3H]-8-OH-DPAT from the central 5-hydroxytryptamine 1A receptor recognition si...				J Med Chem 40: 300-12 (1997) Article DOI: 10.1021/jm960496o BindingDB Entry DOI: 10.7270/Q27W6B96
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50056039 (1-(4-Fluoro-phenyl)-4-[4-(2-methoxy-phenyl)-pipera...) Show SMILES COc1ccccc1N1CCN(CCCC(O)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C21H27FN2O2/c1-26-21-7-3-2-5-19(21)24-15-13-23(14-16-24)12-4-6-20(25)17-8-10-18(22)11-9-17/h2-3,5,7-11,20,25H,4,6,12-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description In vitro displacement of [3H]-spiperone from Dopamine receptor D2 binding site in rat striatum.				J Med Chem 40: 300-12 (1997) Article DOI: 10.1021/jm960496o BindingDB Entry DOI: 10.7270/Q27W6B96
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50474427 (CHEMBL153061) Show SMILES C(C1CCNC1)c1c[nH]cn1 Show InChI InChI=1S/C8H13N3/c1-2-9-4-7(1)3-8-5-10-6-11-8/h5-7,9H,1-4H2,(H,10,11)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Inhibitory activity measured by [3H]- N alpha- methyl-histamine binding to membranes of SK-N-MC cells expressing the human Histamine H3 receptor				J Med Chem 46: 5445-57 (2003) Article DOI: 10.1021/jm030905y BindingDB Entry DOI: 10.7270/Q2FN18X0
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50118812 ((2S,3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-iodo-benzylami...) Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r| Show InChI InChI=1S/C18H19IN6O4/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-3-2-4-10(19)5-9/h2-5,7-8,12-14,18,26-27H,6H2,1H3,(H,20,28)(H,21,22,23)/t12-,13+,14-,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Binding affinity for human adenosine A1 receptor				J Med Chem 42: 1384-92 (1999) Article DOI: 10.1021/jm9804984 BindingDB Entry DOI: 10.7270/Q2X34Z4X
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50474428 (CHEMBL152936) Show SMILES C=C(C1CCNCC1)c1c[nH]cn1 Show InChI InChI=1S/C10H15N3/c1-8(10-6-12-7-13-10)9-2-4-11-5-3-9/h6-7,9,11H,1-5H2,(H,12,13)	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
Vrije Universiteit Curated by ChEMBL					Assay Description Inhibitory activity measured by [3H]- N alpha- methyl-histamine binding to membranes of SK-N-MC cells expressing the human Histamine H3 receptor				J Med Chem 46: 5445-57 (2003) Article DOI: 10.1021/jm030905y BindingDB Entry DOI: 10.7270/Q2FN18X0
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50056023 (1-[(E)-4-(4-Fluoro-phenyl)-but-3-enyl]-4-(2-methox...) Show SMILES COc1ccccc1N1CCN(CC\C=C\c2ccc(F)cc2)CC1 Show InChI InChI=1S/C21H25FN2O/c1-25-21-8-3-2-7-20(21)24-16-14-23(15-17-24)13-5-4-6-18-9-11-19(22)12-10-18/h2-4,6-12H,5,13-17H2,1H3/b6-4+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description In vitro displacement of [3H]-spiperone from Dopamine receptor D2 binding site in rat striatum.				J Med Chem 40: 300-12 (1997) Article DOI: 10.1021/jm960496o BindingDB Entry DOI: 10.7270/Q27W6B96
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50170164 (Imbutamine) Show SMILES NCCCCc1c[nH]cn1 Show InChI InChI=1S/C7H13N3/c8-4-2-1-3-7-5-9-6-10-7/h5-6H,1-4,8H2,(H,9,10)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents	Article PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Inhibitory activity measured by [3H]- N alpha- methyl-histamine binding to membranes of SK-N-MC cells expressing the human Histamine H3 receptor				J Med Chem 46: 5445-57 (2003) Article DOI: 10.1021/jm030905y BindingDB Entry DOI: 10.7270/Q2FN18X0
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50215536 ((R)-Alpha-Methylhistamine | CHEBI:73337 | CHEMBL26...) Show SMILES C[C@@H](N)Cc1c[nH]cn1 |r| Show InChI InChI=1S/C6H11N3/c1-5(7)2-6-3-8-4-9-6/h3-5H,2,7H2,1H3,(H,8,9)/t5-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Inhibitory activity measured by [3H]- N alpha- methyl-histamine binding to membranes of SK-N-MC cells expressing the human Histamine H3 receptor				J Med Chem 46: 5445-57 (2003) Article DOI: 10.1021/jm030905y BindingDB Entry DOI: 10.7270/Q2FN18X0
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50409817 (CHEMBL78498 | VUF-5681) Show SMILES C(CC1CCNCC1)Cc1cnc[nH]1 Show InChI InChI=1S/C11H19N3/c1(3-11-8-13-9-14-11)2-10-4-6-12-7-5-10/h8-10,12H,1-7H2,(H,13,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Inhibitory activity measured by [3H]- N alpha- methyl-histamine binding to membranes of SK-N-MC cells expressing the human Histamine H3 receptor				J Med Chem 46: 5445-57 (2003) Article DOI: 10.1021/jm030905y BindingDB Entry DOI: 10.7270/Q2FN18X0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50056025 (CHEMBL107903 | N-{2-[4-(2-Methoxy-phenyl)-piperazi...) Show SMILES COc1ccccc1N1CCN(CCNC(=N)C2CCCCC2)CC1 Show InChI InChI=1S/C20H32N4O/c1-25-19-10-6-5-9-18(19)24-15-13-23(14-16-24)12-11-22-20(21)17-7-3-2-4-8-17/h5-6,9-10,17H,2-4,7-8,11-16H2,1H3,(H2,21,22)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL 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
Solvay Pharma Curated by ChEMBL					Assay Description Binding affinity was evaluated by determining in vitro displacement of [3H]-8-OH-DPAT from the central 5-hydroxytryptamine 1A receptor recognition si...				J Med Chem 40: 300-12 (1997) Article DOI: 10.1021/jm960496o BindingDB Entry DOI: 10.7270/Q27W6B96
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50056037 (4-Fluoro-N-[2-(4-phenyl-piperazin-1-yl)-ethyl]-ben...) Show SMILES Fc1ccc(cc1)C(=O)NCCN1CCN(CC1)c1ccccc1 Show InChI InChI=1S/C19H22FN3O/c20-17-8-6-16(7-9-17)19(24)21-10-11-22-12-14-23(15-13-22)18-4-2-1-3-5-18/h1-9H,10-15H2,(H,21,24)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Binding affinity was evaluated by determining in vitro displacement of [3H]-8-OH-DPAT from the central 5-hydroxytryptamine 1A receptor recognition si...				J Med Chem 40: 300-12 (1997) Article DOI: 10.1021/jm960496o BindingDB Entry DOI: 10.7270/Q27W6B96
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50019960 (4-Fluoro-N-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl...) Show SMILES COc1ccccc1N1CCN(CCNC(=O)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C20H24FN3O2/c1-26-19-5-3-2-4-18(19)24-14-12-23(13-15-24)11-10-22-20(25)16-6-8-17(21)9-7-16/h2-9H,10-15H2,1H3,(H,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description In vitro displacement of [3H]-spiperone from Dopamine receptor D2 binding site in rat striatum.				J Med Chem 40: 300-12 (1997) Article DOI: 10.1021/jm960496o BindingDB Entry DOI: 10.7270/Q27W6B96
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50474426 (Impentamine) Show SMILES NCCCCCc1c[nH]cn1 Show InChI InChI=1S/C8H15N3/c9-5-3-1-2-4-8-6-10-7-11-8/h6-7H,1-5,9H2,(H,10,11)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	5.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Inhibitory activity measured by [3H]- N alpha- methyl-histamine binding to membranes of SK-N-MC cells expressing the human Histamine H3 receptor				J Med Chem 46: 5445-57 (2003) Article DOI: 10.1021/jm030905y BindingDB Entry DOI: 10.7270/Q2FN18X0
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50474433 (CHEMBL440730) Show SMILES [H][C@]1(Cc2c[nH]cn2)CCNC1 Show InChI InChI=1S/C8H13N3/c1-2-9-4-7(1)3-8-5-10-6-11-8/h5-7,9H,1-4H2,(H,10,11)/t7-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	5.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Inhibitory activity measured by [3H]- N alpha- methyl-histamine binding to membranes of SK-N-MC cells expressing the human Histamine H3 receptor				J Med Chem 46: 5445-57 (2003) Article DOI: 10.1021/jm030905y BindingDB Entry DOI: 10.7270/Q2FN18X0
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50020178 (CHEMBL294633 | CHEMBL555633 | N-[2-(4-Benzofuran-7...) Show SMILES Fc1ccc(cc1)C(=O)NCCN1CCN(CC1)c1cccc2ccoc12 Show InChI InChI=1S/C21H22FN3O2/c22-18-6-4-17(5-7-18)21(26)23-9-10-24-11-13-25(14-12-24)19-3-1-2-16-8-15-27-20(16)19/h1-8,15H,9-14H2,(H,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description In vitro displacement of [3H]-spiperone from Dopamine receptor D2 binding site in rat striatum.				J Med Chem 40: 300-12 (1997) Article DOI: 10.1021/jm960496o BindingDB Entry DOI: 10.7270/Q27W6B96
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM25400 ((2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-y...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C15H21N5O4/c21-5-9-11(22)12(23)15(24-9)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,21-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX (without GTP) from Adenosine A1 receptor of rat cortical membrane				J Med Chem 39: 1463-71 (1996) Article DOI: 10.1021/jm950267m BindingDB Entry DOI: 10.7270/Q2WH2QNT
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50474425 (CHEMBL356666) Show SMILES C1CC(CCN1)=Cc1c[nH]cn1 |(1.48,1.21,;-.04,1.44,;-.6,2.89,;.37,4.08,;1.9,3.85,;2.46,2.41,;-2.12,3.13,;-3.09,1.91,;-4.62,1.98,;-5.16,.53,;-3.97,-.4,;-2.68,.46,)| Show InChI InChI=1S/C9H13N3/c1-3-10-4-2-8(1)5-9-6-11-7-12-9/h5-7,10H,1-4H2,(H,11,12)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Inhibitory activity measured by [3H]- N alpha- methyl-histamine binding to membranes of SK-N-MC cells expressing the human Histamine H3 receptor				J Med Chem 46: 5445-57 (2003) Article DOI: 10.1021/jm030905y BindingDB Entry DOI: 10.7270/Q2FN18X0
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50056040 (CHEMBL107141 | Cyclohexanecarbothioic acid {2-[4-(...) Show SMILES COc1ccccc1N1CCN(CCNC(=S)C2CCCCC2)CC1 Show InChI InChI=1S/C20H31N3OS/c1-24-19-10-6-5-9-18(19)23-15-13-22(14-16-23)12-11-21-20(25)17-7-3-2-4-8-17/h5-6,9-10,17H,2-4,7-8,11-16H2,1H3,(H,21,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	6.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description In vitro displacement of [3H]-spiperone from Dopamine receptor D2 binding site in rat striatum.				J Med Chem 40: 300-12 (1997) Article DOI: 10.1021/jm960496o BindingDB Entry DOI: 10.7270/Q27W6B96
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50121205 (CHEBI:18295 | Histamine) Show SMILES NCCc1c[nH]cn1 Show InChI InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Patents	Article PubMed	9.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Inhibitory activity measured by [3H]- N alpha- methyl-histamine binding to membranes of SK-N-MC cells expressing the human Histamine H3 receptor				J Med Chem 46: 5445-57 (2003) Article DOI: 10.1021/jm030905y BindingDB Entry DOI: 10.7270/Q2FN18X0
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50127605 ((1S,2S)-2-(1H-Imidazol-4-yl)-cyclopropylamine | (1...) Show SMILES N[C@H]1C[C@@H]1c1cnc[nH]1 Show InChI InChI=1S/C6H9N3/c7-5-1-4(5)6-2-8-3-9-6/h2-5H,1,7H2,(H,8,9)/t4-,5-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	9.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Inhibitory activity measured by [3H]- N alpha- methyl-histamine binding to membranes of SK-N-MC cells expressing the human Histamine H3 receptor				J Med Chem 46: 5445-57 (2003) Article DOI: 10.1021/jm030905y BindingDB Entry DOI: 10.7270/Q2FN18X0
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50407522 (CHEMBL554031) Show SMILES NCCCCCCc1cnc[nH]1 Show InChI InChI=1S/C9H17N3/c10-6-4-2-1-3-5-9-7-11-8-12-9/h7-8H,1-6,10H2,(H,11,12)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Inhibitory activity measured by [3H]- N alpha- methyl-histamine binding to membranes of SK-N-MC cells expressing the human Histamine H3 receptor				J Med Chem 46: 5445-57 (2003) Article DOI: 10.1021/jm030905y BindingDB Entry DOI: 10.7270/Q2FN18X0
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50056030 (1-[2-(4-Fluoro-benzyloxy)-ethyl]-4-(2-methoxy-phen...) Show SMILES COc1ccccc1N1CCN(CCOCc2ccc(F)cc2)CC1 Show InChI InChI=1S/C20H25FN2O2/c1-24-20-5-3-2-4-19(20)23-12-10-22(11-13-23)14-15-25-16-17-6-8-18(21)9-7-17/h2-9H,10-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description In vitro displacement of [3H]-spiperone from Dopamine receptor D2 binding site in rat striatum.				J Med Chem 40: 300-12 (1997) Article DOI: 10.1021/jm960496o BindingDB Entry DOI: 10.7270/Q27W6B96
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM21220 ((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Ability to displace radioligand [125I]AB-MECA from membrane of HEK 293 cells stably transfected with human adenosine A3 receptor cDNA				J Med Chem 42: 1384-92 (1999) Article DOI: 10.1021/jm9804984 BindingDB Entry DOI: 10.7270/Q2X34Z4X
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50056024 (CHEMBL106854 | N-{2-[4-(2-Methoxy-phenyl)-piperazi...) Show SMILES COc1ccccc1N1CCN(CCNC(=O)c2ccccc2)CC1 Show InChI InChI=1S/C20H25N3O2/c1-25-19-10-6-5-9-18(19)23-15-13-22(14-16-23)12-11-21-20(24)17-7-3-2-4-8-17/h2-10H,11-16H2,1H3,(H,21,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description In vitro displacement of [3H]-spiperone from Dopamine receptor D2 binding site in rat striatum.				J Med Chem 40: 300-12 (1997) Article DOI: 10.1021/jm960496o BindingDB Entry DOI: 10.7270/Q27W6B96
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50035042 (1-Benzofuran-7-yl-piperazine | CHEMBL61032) Show SMILES C1CN(CCN1)c1cccc2ccoc12 Show InChI InChI=1S/C12H14N2O/c1-2-10-4-9-15-12(10)11(3-1)14-7-5-13-6-8-14/h1-4,9,13H,5-8H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Binding affinity was evaluated by determining in vitro displacement of [3H]-8-OH-DPAT from the central 5-hydroxytryptamine 1A receptor recognition si...				J Med Chem 40: 300-12 (1997) Article DOI: 10.1021/jm960496o BindingDB Entry DOI: 10.7270/Q27W6B96
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM21220 ((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Binding affinity for human adenosine A1 receptor				J Med Chem 42: 1384-92 (1999) Article DOI: 10.1021/jm9804984 BindingDB Entry DOI: 10.7270/Q2X34Z4X
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50039824 (CHEMBL81728 | N-{2-[4-(2,3-Dihydro-benzo[1,4]dioxi...) Show SMILES Fc1ccc(cc1)C(=O)NCCN1CCN(CC1)c1cccc2OCCOc12 Show InChI InChI=1S/C21H24FN3O3/c22-17-6-4-16(5-7-17)21(26)23-8-9-24-10-12-25(13-11-24)18-2-1-3-19-20(18)28-15-14-27-19/h1-7H,8-15H2,(H,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description In vitro displacement of [3H]-spiperone from Dopamine receptor D2 binding site in rat striatum.				J Med Chem 40: 300-12 (1997) Article DOI: 10.1021/jm960496o BindingDB Entry DOI: 10.7270/Q27W6B96
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50121205 (CHEBI:18295 | Histamine) Show SMILES NCCc1c[nH]cn1 Show InChI InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Patents	PDB Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Inhibition of [3H]-histamine binding to membranes of SK-N-MC cells expressing the human Histamine H4 receptor				J Med Chem 46: 5445-57 (2003) Article DOI: 10.1021/jm030905y BindingDB Entry DOI: 10.7270/Q2FN18X0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histamine H4 receptor (Homo sapiens (Human))	BDBM50170164 (Imbutamine) Show SMILES NCCCCc1c[nH]cn1 Show InChI InChI=1S/C7H13N3/c8-4-2-1-3-7-5-9-6-10-7/h5-6H,1-4,8H2,(H,9,10)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents	Article PubMed	14.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Inhibitory activity measured by [3H]- N alpha- methyl-histamine binding to membranes of SK-N-MC cells expressing the human Histamine H4 receptor				J Med Chem 46: 5445-57 (2003) Article DOI: 10.1021/jm030905y BindingDB Entry DOI: 10.7270/Q2FN18X0
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM35804 ((CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmet...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(O)=O)cc3)nc12 Show InChI InChI=1S/C23H29N7O6/c1-2-25-21(35)18-16(33)17(34)22(36-18)30-11-27-15-19(24)28-23(29-20(15)30)26-10-9-13-5-3-12(4-6-13)7-8-14(31)32/h3-6,11,16-18,22,33-34H,2,7-10H2,1H3,(H,25,35)(H,31,32)(H3,24,26,28,29)/t16-,17+,18-,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Ability to displace radioligand [3H]- CGS 21680 from adenosine A2A receptor on rat striatal membrane				J Med Chem 42: 1384-92 (1999) Article DOI: 10.1021/jm9804984 BindingDB Entry DOI: 10.7270/Q2X34Z4X
					More data for this Ligand-Target Pair				3D Structure (crystal)

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