Compile Data Set for Download or QSAR

Found 1205 hits with Last Name = 'dukat' and Initial = 'm'   

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
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50170654 ((+-)-cis-4-(3-(4-tert-butylphenyl)-2-methylpropyl)...) Show SMILES CC(CN1C[C@H](C)O[C@H](C)C1)Cc1ccc(cc1)C(C)(C)C |r| Show InChI InChI=1S/C20H33NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h7-10,15-17H,11-14H2,1-6H3/t15?,16-,17+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents	Article PubMed	0.00500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of (+)-[3H]-pentazocine from sigma 1 receptor in guinea pig whole brain microsomes				Bioorg Med Chem Lett 27: 2912-2919 (2017) Article DOI: 10.1016/j.bmcl.2017.04.088 BindingDB Entry DOI: 10.7270/Q2154KF1
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50170654 ((+-)-cis-4-(3-(4-tert-butylphenyl)-2-methylpropyl)...) Show SMILES CC(CN1C[C@H](C)O[C@H](C)C1)Cc1ccc(cc1)C(C)(C)C |r| Show InChI InChI=1S/C20H33NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h7-10,15-17H,11-14H2,1-6H3/t15?,16-,17+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents	Article PubMed	0.0110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of (+)-[3H]-pentazocine from sigma 1 receptor in guinea pig liver microsomes				Bioorg Med Chem Lett 27: 2912-2919 (2017) Article DOI: 10.1016/j.bmcl.2017.04.088 BindingDB Entry DOI: 10.7270/Q2154KF1
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50143279 ((S)-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]...) Show SMILES Clc1ccc(cn1)C1C[C@@H]2CCC1N2 |THB:4:7:13:11.10| Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2/t8-,9?,10?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Binding affinity towards nicotinic acetylcholine receptor alpha4-beta2				Bioorg Med Chem Lett 14: 1841-4 (2004) Article DOI: 10.1016/j.bmcl.2003.07.035 BindingDB Entry DOI: 10.7270/Q2MC917Z
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50049757 (()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...) Show SMILES Clc1ccc(cn1)C1CC2CCC1N2 |TLB:4:7:11.10:13| Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PubMed	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Affinity at alpha4-beta2 nACh receptors in rat brain (minus cerebellum) homogenates.				Bioorg Med Chem Lett 13: 733-5 (2003) BindingDB Entry DOI: 10.7270/Q2FT8NKF
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50170654 ((+-)-cis-4-(3-(4-tert-butylphenyl)-2-methylpropyl)...) Show SMILES CC(CN1C[C@H](C)O[C@H](C)C1)Cc1ccc(cc1)C(C)(C)C |r| Show InChI InChI=1S/C20H33NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h7-10,15-17H,11-14H2,1-6H3/t15?,16-,17+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents	Article PubMed	0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of (+)-[3H]-pentazocine from recombinant guinea pig His6-tagged sigma 1 receptor expressed in Saccharomyces cerevisiae WAO microsomes				Bioorg Med Chem Lett 27: 2912-2919 (2017) Article DOI: 10.1016/j.bmcl.2017.04.088 BindingDB Entry DOI: 10.7270/Q2154KF1
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50038677 ((4-Bromo-benzyl)-[2-(5-methoxy-1H-indol-3-yl)-ethy...) Show SMILES COc1ccc2[nH]cc(CCNCc3ccc(Br)cc3)c2c1 Show InChI InChI=1S/C18H19BrN2O/c1-22-16-6-7-18-17(10-16)14(12-21-18)8-9-20-11-13-2-4-15(19)5-3-13/h2-7,10,12,20-21H,8-9,11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Affinity against 5-hydroxytryptamine 2A receptor (D) labeled with [125I]-DOI.				J Med Chem 37: 1929-35 (1994) BindingDB Entry DOI: 10.7270/Q2GQ6WT0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50151705 ((4-tert-Butyl-2,6-dimethyl-phenyl)-(4,5-dihydro-1H...) Show SMILES [#6]-c1cc(cc(-[#6])c1\[#7]=[#6]-1/[#7]-[#6]-[#6]-[#7]-1)C([#6])([#6])[#6] Show InChI InChI=1S/C15H23N3/c1-10-8-12(15(3,4)5)9-11(2)13(10)18-14-16-6-7-17-14/h8-9H,6-7H2,1-5H3,(H2,16,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Binding affinity towards human 5-hydroxytryptamine 1D receptor				Bioorg Med Chem Lett 14: 4697-9 (2004) Article DOI: 10.1016/j.bmcl.2004.06.085 BindingDB Entry DOI: 10.7270/Q2FJ2G7V
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50038672 (Benzyl-[2-(4-bromo-2,5-dimethoxy-phenyl)-ethyl]-am...) Show SMILES COc1cc(CCNCc2ccccc2)c(OC)cc1Br Show InChI InChI=1S/C17H20BrNO2/c1-20-16-11-15(18)17(21-2)10-14(16)8-9-19-12-13-6-4-3-5-7-13/h3-7,10-11,19H,8-9,12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Affinity against 5-hydroxytryptamine 2A receptor (D) labeled with [125I]-DOI.				J Med Chem 37: 1929-35 (1994) BindingDB Entry DOI: 10.7270/Q2GQ6WT0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM30712 (6-tert-butyl-3-(2-imidazolin-2-ylmethyl)-2,4-dimet...) Show SMILES Cc1cc(c(O)c(C)c1CC1=NCCN1)C(C)(C)C |t:11| Show InChI InChI=1S/C16H24N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,19H,6-7,9H2,1-5H3,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Binding affinity towards human 5-hydroxytryptamine 1B receptor using [3H]-5-HT trifluoroacetate as radioligand				J Med Chem 41: 2243-51 (1998) Article DOI: 10.1021/jm970513p BindingDB Entry DOI: 10.7270/Q28K7872
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50143487 (CHEMBL353552 | [9-(2,5-Dimethoxy-benzenesulfonyl)-...) Show SMILES COc1ccc(OC)c(c1)S(=O)(=O)n1c2CCCC(CN(C)C)c2c2cc(OC)ccc12 Show InChI InChI=1S/C24H30N2O5S/c1-25(2)15-16-7-6-8-21-24(16)19-13-17(29-3)9-11-20(19)26(21)32(27,28)23-14-18(30-4)10-12-22(23)31-5/h9-14,16H,6-8,15H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Ability to displace [3H]LSD from human 5-hydroxytryptamine 6 receptor transiently expressed in COS-7 cells				Bioorg Med Chem Lett 14: 1961-4 (2004) Article DOI: 10.1016/j.bmcl.2004.01.071 BindingDB Entry DOI: 10.7270/Q29887J8
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50143274 (3-(4-Methyl-isoxazol-5-ylmethyl)-1-aza-bicyclo[2.2...) Show SMILES Cc1cnoc1CC1CN2CCC1C2 |THB:6:7:13:11.10| Show InChI InChI=1S/C11H16N2O/c1-8-5-12-14-11(8)4-10-7-13-3-2-9(10)6-13/h5,9-10H,2-4,6-7H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Binding affinity towards nicotinic acetylcholine receptor alpha4-beta2				Bioorg Med Chem Lett 14: 1841-4 (2004) Article DOI: 10.1016/j.bmcl.2003.07.035 BindingDB Entry DOI: 10.7270/Q2MC917Z
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50169599 (1-Benzenesulfonyl-3-((R)-1-methyl-pyrrolidin-2-ylm...) Show SMILES CN1CCC[C@@H]1Cc1cn(c2ccccc12)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C20H22N2O2S/c1-21-13-7-8-17(21)14-16-15-22(20-12-6-5-11-19(16)20)25(23,24)18-9-3-2-4-10-18/h2-6,9-12,15,17H,7-8,13-14H2,1H3/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells				J Med Chem 51: 603-11 (2008) Article DOI: 10.1021/jm070910s BindingDB Entry DOI: 10.7270/Q2CJ8D84
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50169599 (1-Benzenesulfonyl-3-((R)-1-methyl-pyrrolidin-2-ylm...) Show SMILES CN1CCC[C@@H]1Cc1cn(c2ccccc12)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C20H22N2O2S/c1-21-13-7-8-17(21)14-16-15-22(20-12-6-5-11-19(16)20)25(23,24)18-9-3-2-4-10-18/h2-6,9-12,15,17H,7-8,13-14H2,1H3/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Binding affinity against h5-HT6 receptor transiently expressed in HEK293 cells				Bioorg Med Chem Lett 15: 3510-3 (2005) Article DOI: 10.1016/j.bmcl.2005.05.092 BindingDB Entry DOI: 10.7270/Q20Z7411
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50038675 ((4-Bromo-benzyl)-[2-(4-bromo-2,5-dimethoxy-phenyl)...) Show SMILES COc1cc(CCNCc2ccc(Br)cc2)c(OC)cc1Br Show InChI InChI=1S/C17H19Br2NO2/c1-21-16-10-15(19)17(22-2)9-13(16)7-8-20-11-12-3-5-14(18)6-4-12/h3-6,9-10,20H,7-8,11H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Affinity against 5-hydroxytryptamine 2A receptor (D) labeled with [125I]-DOI.				J Med Chem 37: 1929-35 (1994) BindingDB Entry DOI: 10.7270/Q2GQ6WT0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM30712 (6-tert-butyl-3-(2-imidazolin-2-ylmethyl)-2,4-dimet...) Show SMILES Cc1cc(c(O)c(C)c1CC1=NCCN1)C(C)(C)C |t:11| Show InChI InChI=1S/C16H24N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,19H,6-7,9H2,1-5H3,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Binding affinity towards human 5-hydroxytryptamine 1D receptor using [3H]-5-HT trifluoroacetate as radioligand				J Med Chem 41: 2243-51 (1998) Article DOI: 10.1021/jm970513p BindingDB Entry DOI: 10.7270/Q28K7872
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50174274 (4-(4-(piperazin-1-yl)-1H-indol-1-ylsulfonyl)benzen...) Show SMILES Nc1ccc(cc1)S(=O)(=O)n1ccc2c(cccc12)N1CCNCC1 Show InChI InChI=1S/C18H20N4O2S/c19-14-4-6-15(7-5-14)25(23,24)22-11-8-16-17(2-1-3-18(16)22)21-12-9-20-10-13-21/h1-8,11,20H,9-10,12-13,19H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 15: 5298-302 (2005) Article DOI: 10.1016/j.bmcl.2005.08.059 BindingDB Entry DOI: 10.7270/Q2ZW1KGZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50038665 (CHEMBL57939 | [2-(4-Bromo-2,5-dimethoxy-phenyl)-et...) Show SMILES COc1cc(CCNCc2ccc(I)cc2)c(OC)cc1Br Show InChI InChI=1S/C17H19BrINO2/c1-21-16-10-15(18)17(22-2)9-13(16)7-8-20-11-12-3-5-14(19)6-4-12/h3-6,9-10,20H,7-8,11H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Affinity against 5-hydroxytryptamine 2A receptor (D) labeled with [125I]-DOI.				J Med Chem 37: 1929-35 (1994) BindingDB Entry DOI: 10.7270/Q2GQ6WT0
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50135703 (CHEMBL345732 | CHEMBL99367 | Trimethyl-[2-(pyridin...) Show SMILES C[N+](C)(C)CCOc1cccnc1 Show InChI InChI=1S/C10H17N2O/c1-12(2,3)7-8-13-10-5-4-6-11-9-10/h4-6,9H,7-8H2,1-3H3/q+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Binding affinity at alpha4beta2				Bioorg Med Chem Lett 16: 4283-6 (2006) Article DOI: 10.1016/j.bmcl.2006.05.080 BindingDB Entry DOI: 10.7270/Q2CJ8F8J
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50135703 (CHEMBL345732 | CHEMBL99367 | Trimethyl-[2-(pyridin...) Show SMILES C[N+](C)(C)CCOc1cccnc1 Show InChI InChI=1S/C10H17N2O/c1-12(2,3)7-8-13-10-5-4-6-11-9-10/h4-6,9H,7-8H2,1-3H3/q+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Binding affinity towards nicotinic acetylcholine receptor alpha4-beta2 from rat brain homogenates				Bioorg Med Chem Lett 14: 523-6 (2003) BindingDB Entry DOI: 10.7270/Q20P117F
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50100706 (2-Bromo-5-(1-methyl-pyrrolidin-2-yl)-pyridine | CH...) Show SMILES CN1CCCC1c1ccc(Br)nc1 Show InChI InChI=1S/C10H13BrN2/c1-13-6-2-3-9(13)8-4-5-10(11)12-7-8/h4-5,7,9H,2-3,6H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Binding affinity for rat brain Nicotinic acetylcholine receptor alpha4-beta2 using [3H]S-(-)-nicotine				Bioorg Med Chem Lett 15: 4308-12 (2005) Article DOI: 10.1016/j.bmcl.2005.06.053 BindingDB Entry DOI: 10.7270/Q2MW2KWM
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM21397 (8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...) Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1 Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Binding affinity against rat Dopamine receptor D2.				J Med Chem 41: 5084-93 (1999) Article DOI: 10.1021/jm980452a BindingDB Entry DOI: 10.7270/Q2CZ369B
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50100706 (2-Bromo-5-(1-methyl-pyrrolidin-2-yl)-pyridine | CH...) Show SMILES CN1CCCC1c1ccc(Br)nc1 Show InChI InChI=1S/C10H13BrN2/c1-13-6-2-3-9(13)8-4-5-10(11)12-7-8/h4-5,7,9H,2-3,6H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Affinity at alpha4-beta2 nACh receptors in rat brain (minus cerebellum) homogenates.				Bioorg Med Chem Lett 13: 733-5 (2003) BindingDB Entry DOI: 10.7270/Q2FT8NKF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50132848 (4-[3-(2-Diethylamino-ethyl)-indole-1-sulfonyl]-phe...) Show SMILES CCN(CC)CCc1cn(c2ccccc12)S(=O)(=O)c1ccc(N)cc1 Show InChI InChI=1S/C20H25N3O2S/c1-3-22(4-2)14-13-16-15-23(20-8-6-5-7-19(16)20)26(24,25)18-11-9-17(21)10-12-18/h5-12,15H,3-4,13-14,21H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Binding affinity towards human 5-hydroxytryptamine 6 receptor				Bioorg Med Chem Lett 13: 3355-9 (2003) BindingDB Entry DOI: 10.7270/Q2DN44GB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50132844 (4-[3-(2-Diethylamino-ethyl)-5-methoxy-indole-1-sul...) Show SMILES CCN(CC)CCc1cn(c2ccc(OC)cc12)S(=O)(=O)c1ccc(N)cc1 Show InChI InChI=1S/C21H27N3O3S/c1-4-23(5-2)13-12-16-15-24(21-11-8-18(27-3)14-20(16)21)28(25,26)19-9-6-17(22)7-10-19/h6-11,14-15H,4-5,12-13,22H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Binding affinity towards human 5-hydroxytryptamine 6 receptor				Bioorg Med Chem Lett 13: 3355-9 (2003) BindingDB Entry DOI: 10.7270/Q2DN44GB
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50078056 (2-Chloro-5-(1-methyl-pyrrolidin-2-yl)-pyridine | C...) Show SMILES CN1CCCC1c1ccc(Cl)nc1 Show InChI InChI=1S/C10H13ClN2/c1-13-6-2-3-9(13)8-4-5-10(11)12-7-8/h4-5,7,9H,2-3,6H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Binding affinity for rat brain Nicotinic acetylcholine receptor alpha4-beta2 using [3H]S-(-)-nicotine				Bioorg Med Chem Lett 15: 4308-12 (2005) Article DOI: 10.1016/j.bmcl.2005.06.053 BindingDB Entry DOI: 10.7270/Q2MW2KWM
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50078056 (2-Chloro-5-(1-methyl-pyrrolidin-2-yl)-pyridine | C...) Show SMILES CN1CCCC1c1ccc(Cl)nc1 Show InChI InChI=1S/C10H13ClN2/c1-13-6-2-3-9(13)8-4-5-10(11)12-7-8/h4-5,7,9H,2-3,6H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Affinity at alpha4-beta2 nACh receptors in rat brain (minus cerebellum) homogenates.				Bioorg Med Chem Lett 13: 733-5 (2003) BindingDB Entry DOI: 10.7270/Q2FT8NKF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM30703 (2-(4-tert-butyl-2,6-dimethyl-benzyl)-2-imidazoline...) Show SMILES Cc1cc(cc(C)c1CC1=NCCN1)C(C)(C)C |t:10| Show InChI InChI=1S/C16H24N2/c1-11-8-13(16(3,4)5)9-12(2)14(11)10-15-17-6-7-18-15/h8-9H,6-7,10H2,1-5H3,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Binding affinity towards human 5-hydroxytryptamine 1D receptor				Bioorg Med Chem Lett 14: 4697-9 (2004) Article DOI: 10.1016/j.bmcl.2004.06.085 BindingDB Entry DOI: 10.7270/Q2FJ2G7V
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50068530 (1-Cyclohexyl-8-[4-(4-fluoro-phenyl)-4-oxo-butyl]-1...) Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)C1CCCCC1 Show InChI InChI=1S/C23H32FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h8-11,20H,1-7,12-17H2,(H,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Binding affinity against rat 5-hydroxytryptamine 2A receptor in NIH3T3 cells.				J Med Chem 41: 5084-93 (1999) Article DOI: 10.1021/jm980452a BindingDB Entry DOI: 10.7270/Q2CZ369B
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM30703 (2-(4-tert-butyl-2,6-dimethyl-benzyl)-2-imidazoline...) Show SMILES Cc1cc(cc(C)c1CC1=NCCN1)C(C)(C)C |t:10| Show InChI InChI=1S/C16H24N2/c1-11-8-13(16(3,4)5)9-12(2)14(11)10-15-17-6-7-18-15/h8-9H,6-7,10H2,1-5H3,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Binding affinity towards human 5-hydroxytryptamine 1D receptor using [3H]-5-HT trifluoroacetate as radioligand				J Med Chem 41: 2243-51 (1998) Article DOI: 10.1021/jm970513p BindingDB Entry DOI: 10.7270/Q28K7872
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50068530 (1-Cyclohexyl-8-[4-(4-fluoro-phenyl)-4-oxo-butyl]-1...) Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)C1CCCCC1 Show InChI InChI=1S/C23H32FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h8-11,20H,1-7,12-17H2,(H,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Binding affinity against rat Dopamine receptor D2.				J Med Chem 41: 5084-93 (1999) Article DOI: 10.1021/jm980452a BindingDB Entry DOI: 10.7270/Q2CZ369B
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50130275 (4-(3-(2-(dimethylamino)ethyl)-1H-indol-1-ylsulfony...) Show SMILES CN(C)CCc1cn(c2ccccc12)S(=O)(=O)c1ccc(N)cc1 Show InChI InChI=1S/C18H21N3O2S/c1-20(2)12-11-14-13-21(18-6-4-3-5-17(14)18)24(22,23)16-9-7-15(19)8-10-16/h3-10,13H,11-12,19H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		0.800	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Virginia Commonwealth University					Assay Description The h5-HT6 radioligand binding assays were performed as previously described. In brief, h5-HT6 cDNA was transiently expressed in HEK-293 cells using...				Medicinal Chemistry Research 14: 1-18 (2005) BindingDB Entry DOI: 10.7270/Q2NG4P78
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50187072 (4-(4,6-dimethoxy-1H-indol-1-ylsulfonyl)benzenamine...) Show SMILES COc1cc(OC)c2ccn(c2c1)S(=O)(=O)c1ccc(N)cc1 Show InChI InChI=1S/C16H16N2O4S/c1-21-12-9-15-14(16(10-12)22-2)7-8-18(15)23(19,20)13-5-3-11(17)4-6-13/h3-10H,17H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Binding affinity to human 5HT6 receptor				Bioorg Med Chem Lett 16: 3793-6 (2006) Article DOI: 10.1016/j.bmcl.2006.04.094 BindingDB Entry DOI: 10.7270/Q2H70FDF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50027065 ((5'alpha)-12'-hydroxy-2'-methyl-5'-(phenylmethyl)e...) Show SMILES CN1C[C@@H](C=C2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)N[C@]1(C)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O |r,c:4| Show InChI InChI=1S/C33H35N5O5/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h3-6,8-11,15,17,21,25-27,34,42H,7,12-14,16,18H2,1-2H3,(H,35,39)/t21-,25-,26+,27+,32-,33+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity towards human 5-hydroxytryptamine 1D receptor				J Med Chem 43: 1011-8 (2000) BindingDB Entry DOI: 10.7270/Q2CF9PBP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50130275 (4-(3-(2-(dimethylamino)ethyl)-1H-indol-1-ylsulfony...) Show SMILES CN(C)CCc1cn(c2ccccc12)S(=O)(=O)c1ccc(N)cc1 Show InChI InChI=1S/C18H21N3O2S/c1-20(2)12-11-14-13-21(18-6-4-3-5-17(14)18)24(22,23)16-9-7-15(19)8-10-16/h3-10,13H,11-12,19H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Binding affinity towards human 5-hydroxytryptamine 6 receptor				Bioorg Med Chem Lett 13: 3355-9 (2003) BindingDB Entry DOI: 10.7270/Q2DN44GB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50162877 (4-(4-Piperazin-1-yl-naphthalene-1-sulfonyl)-phenyl...) Show SMILES Nc1ccc(cc1)S(=O)(=O)c1ccc(N2CCNCC2)c2ccccc12 Show InChI InChI=1S/C20H21N3O2S/c21-15-5-7-16(8-6-15)26(24,25)20-10-9-19(23-13-11-22-12-14-23)17-3-1-2-4-18(17)20/h1-10,22H,11-14,21H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Binding affinity against 5 Hydroxy tryptamine 6 receptor				Bioorg Med Chem Lett 15: 1707-11 (2005) Article DOI: 10.1016/j.bmcl.2005.01.031 BindingDB Entry DOI: 10.7270/Q2D21ZBG
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50093055 (CHEMBL443796 | {2-[5-Methoxy-1-(naphthalene-1-sulf...) Show SMILES COc1ccc2n(cc(CCN(C)C)c2c1)S(=O)(=O)c1cccc2ccccc12 Show InChI InChI=1S/C23H24N2O3S/c1-24(2)14-13-18-16-25(22-12-11-19(28-3)15-21(18)22)29(26,27)23-10-6-8-17-7-4-5-9-20(17)23/h4-12,15-16H,13-14H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Binding affinity against human 5-hydroxytryptamine 6 receptor stably transfected to HEK 293 human embryonic kidney cells using [3H]-lysergic acid die...				Bioorg Med Chem Lett 10: 2295-9 (2001) BindingDB Entry DOI: 10.7270/Q29C6WP6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50174269 (1-(phenylsulfonyl)-4-(piperazin-1-yl)-1H-indole | ...) Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(cccc12)N1CCNCC1 Show InChI InChI=1S/C18H19N3O2S/c22-24(23,15-5-2-1-3-6-15)21-12-9-16-17(7-4-8-18(16)21)20-13-10-19-11-14-20/h1-9,12,19H,10-11,13-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 15: 5298-302 (2005) Article DOI: 10.1016/j.bmcl.2005.08.059 BindingDB Entry DOI: 10.7270/Q2ZW1KGZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50005267 (2,5-dimethoxy-4-bromophenethylamine | 2-(4-Bromo-2...) Show SMILES COc1cc(CCN)c(OC)cc1Br Show InChI InChI=1S/C10H14BrNO2/c1-13-9-6-8(11)10(14-2)5-7(9)3-4-12/h5-6H,3-4,12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Affinity against 5-hydroxytryptamine 2A receptor (D) labeled with [125I]-DOI.				J Med Chem 37: 1929-35 (1994) BindingDB Entry DOI: 10.7270/Q2GQ6WT0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM28583 (5-chloro-N-[4-methoxy-3-(piperazin-1-yl)phenyl]-3-...) Show SMILES COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCNCC1 Show InChI InChI=1S/C20H22ClN3O3S2/c1-13-16-11-14(21)3-6-19(16)28-20(13)29(25,26)23-15-4-5-18(27-2)17(12-15)24-9-7-22-8-10-24/h3-6,11-12,22-23H,7-10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Binding affinity against 5 Hydroxy tryptamine 6 receptor				Bioorg Med Chem Lett 15: 1707-11 (2005) Article DOI: 10.1016/j.bmcl.2005.01.031 BindingDB Entry DOI: 10.7270/Q2D21ZBG
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50049091 (2-(5-Heptyloxy-1H-indol-3-yl)-ethylamine | CHEMBL3...) Show SMILES CCCCCCCOc1ccc2[nH]cc(CCN)c2c1 Show InChI InChI=1S/C17H26N2O/c1-2-3-4-5-6-11-20-15-7-8-17-16(12-15)14(9-10-18)13-19-17/h7-8,12-13,19H,2-6,9-11,18H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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
Virginia Commonwealth University Curated by ChEMBL					Assay Description Binding affinity for recombinant human 5-hydroxytryptamine 1D receptor beta was determined using [3H]-5-HT as radioligand				J Med Chem 39: 314-22 (1996) Article DOI: 10.1021/jm950498t BindingDB Entry DOI: 10.7270/Q2DJ5DRK
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50064806 (2-(4-Isopropyl-2,6-dimethyl-benzyl)-4,5-dihydro-1H...) Show SMILES CC(C)c1cc(C)c(CC2=NCCN2)c(C)c1 |t:9| Show InChI InChI=1S/C15H22N2/c1-10(2)13-7-11(3)14(12(4)8-13)9-15-16-5-6-17-15/h7-8,10H,5-6,9H2,1-4H3,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Binding affinity towards human 5-hydroxytryptamine 1D receptor using [3H]-5-HT trifluoroacetate as radioligand				J Med Chem 41: 2243-51 (1998) Article DOI: 10.1021/jm970513p BindingDB Entry DOI: 10.7270/Q28K7872
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50049093 (CHEMBL321190 | Nonanoic acid 3-(2-dimethylamino-et...) Show SMILES CCCCCCCCC(=O)Oc1ccc2[nH]cc(CCN(C)C)c2c1 Show InChI InChI=1S/C21H32N2O2/c1-4-5-6-7-8-9-10-21(24)25-18-11-12-20-19(15-18)17(16-22-20)13-14-23(2)3/h11-12,15-16,22H,4-10,13-14H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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
Virginia Commonwealth University Curated by ChEMBL					Assay Description Binding affinity for recombinant human 5-hydroxytryptamine 1D receptor beta was determined using [3H]-5-HT as radioligand				J Med Chem 39: 314-22 (1996) Article DOI: 10.1021/jm950498t BindingDB Entry DOI: 10.7270/Q2DJ5DRK
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50039947 (2-(5-Nonyloxy-1H-indol-3-yl)-ethylamine | CHEMBL97...) Show SMILES CCCCCCCCCOc1ccc2[nH]cc(CCN)c2c1 Show InChI InChI=1S/C19H30N2O/c1-2-3-4-5-6-7-8-13-22-17-9-10-19-18(14-17)16(11-12-20)15-21-19/h9-10,14-15,21H,2-8,11-13,20H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical College of Virginia/Virginia Commonwealth University Curated by ChEMBL					Assay Description Binding affinity was measured on 5-hydroxytryptamine 1D receptor beta in CHO cells transfected with human 5-HT1D beta gene labeled with [3H]-5-HT				J Med Chem 37: 2828-30 (1994) BindingDB Entry DOI: 10.7270/Q2GH9H0R
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM82070 (CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...) Show SMILES CN1CCC[C@H]1c1cccnc1 |r| Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Affinity for nicotinic acetylcholine receptor alpha4-beta2				Bioorg Med Chem Lett 14: 3651-4 (2004) Article DOI: 10.1016/j.bmcl.2004.05.020 BindingDB Entry DOI: 10.7270/Q2J103QK
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50193464 (4-(3-benzenesulfonylphenyl)piperazine | CHEMBL2129...) Show SMILES O=S(=O)(c1ccccc1)c1cccc(c1)N1CCNCC1 Show InChI InChI=1S/C16H18N2O2S/c19-21(20,15-6-2-1-3-7-15)16-8-4-5-14(13-16)18-11-9-17-10-12-18/h1-8,13,17H,9-12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Binding affinity to human 5HT6 receptor in HEK293 cells by radioligand binding assay				J Med Chem 49: 5217-25 (2006) Article DOI: 10.1021/jm060469q BindingDB Entry DOI: 10.7270/Q2416WQN
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50001862 ((N-(o-methoxyphenyl)piperazine)1-(2-Methoxy-phenyl...) Show SMILES COc1ccccc1N1CCNCC1 Show InChI InChI=1S/C11H16N2O/c1-14-11-5-3-2-4-10(11)13-8-6-12-7-9-13/h2-5,12H,6-9H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Binding affinity against 5 Hydroxy tryptamine 6 receptor				Bioorg Med Chem Lett 15: 1707-11 (2005) Article DOI: 10.1016/j.bmcl.2005.01.031 BindingDB Entry DOI: 10.7270/Q2D21ZBG
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50049085 (1-[3-(2-Amino-ethyl)-1H-indol-5-yl]-ethanone | Ace...) Show SMILES CC(=O)c1ccc2[nH]cc(CCN)c2c1 Show InChI InChI=1S/C12H14N2O/c1-8(15)9-2-3-12-11(6-9)10(4-5-13)7-14-12/h2-3,6-7,14H,4-5,13H2,1H3	PDB UniProtKB/SwissProt antibodypedia 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
Virginia Commonwealth University Curated by ChEMBL					Assay Description In vitro affinity at human cloned 5-hydroxytryptamine 1A receptor by [3H]-8-OH-DPAT displacement.				J Med Chem 39: 314-22 (1996) Article DOI: 10.1021/jm950498t BindingDB Entry DOI: 10.7270/Q2DJ5DRK
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM82070 (CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...) Show SMILES CN1CCC[C@H]1c1cccnc1 |r| Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	PDB PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Affinity at alpha4-beta2 nACh receptors in rat brain (minus cerebellum) homogenates.				Bioorg Med Chem Lett 13: 733-5 (2003) BindingDB Entry DOI: 10.7270/Q2FT8NKF
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50093046 (CHEMBL75734 | {2-[1-(2,5-Dimethoxy-benzenesulfonyl...) Show SMILES COc1ccc(OC)c(c1)S(=O)(=O)n1cc(CCN(C)C)c2cc(OC)ccc12 Show InChI InChI=1S/C21H26N2O5S/c1-22(2)11-10-15-14-23(19-8-6-16(26-3)12-18(15)19)29(24,25)21-13-17(27-4)7-9-20(21)28-5/h6-9,12-14H,10-11H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Binding affinity against human 5-hydroxytryptamine 6 receptor stably transfected to HEK 293 human embryonic kidney cells using [3H]-lysergic acid die...				Bioorg Med Chem Lett 10: 2295-9 (2001) BindingDB Entry DOI: 10.7270/Q29C6WP6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50049077 (2-(5-Pentyloxy-1H-indol-3-yl)-ethylamine | CHEMBL1...) Show SMILES CCCCCOc1ccc2[nH]cc(CCN)c2c1 Show InChI InChI=1S/C15H22N2O/c1-2-3-4-9-18-13-5-6-15-14(10-13)12(7-8-16)11-17-15/h5-6,10-11,17H,2-4,7-9,16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description In vitro affitnity human cloned 5-hydroxytryptamine 1D receptor alpha by [3H]-5-HT displacement.				J Med Chem 39: 314-22 (1996) Article DOI: 10.1021/jm950498t BindingDB Entry DOI: 10.7270/Q2DJ5DRK
					More data for this Ligand-Target Pair

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