Compile Data Set for Download or QSAR

Found 3676 hits with Last Name = 'robichaud' and Initial = 'aj'   

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
Squalene synthase (Rattus norvegicus)	BDBM50038096 ((6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-3-methylene-...) Show SMILES CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)C2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)OC1(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O Show InChI InChI=1S/C35H46O14/c1-7-19(2)17-20(3)13-14-25(37)47-28-27(38)33(48-29(30(39)40)34(45,31(41)42)35(28,49-33)32(43)44)16-15-21(4)26(46-23(6)36)22(5)18-24-11-9-8-10-12-24/h8-14,19-20,22,26-29,38,45H,4,7,15-18H2,1-3,5-6H3,(H,39,40)(H,41,42)(H,43,44)/b14-13+/t19-,20+,22+,26+,27+,28+,29?,33?,34?,35?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.0780	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against squalene synthase in rat liver squalene synthase (RLSS) enzyme assay				Bioorg Med Chem Lett 4: 1591-1594 (1994) Article DOI: 10.1016/S0960-894X(01)80572-2 BindingDB Entry DOI: 10.7270/Q2TB16T4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50125155 (1-(2-Amino-4-fluoro-phenyl)-4-(6bR,10aS)-1,2,6b,9,...) Show SMILES Nc1cc(F)ccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3OCCN2c13 Show InChI InChI=1S/C23H26FN3O2/c24-15-6-7-17(19(25)13-15)21(28)4-2-9-26-10-8-20-18(14-26)16-3-1-5-22-23(16)27(20)11-12-29-22/h1,3,5-7,13,18,20H,2,4,8-12,14,25H2/t18-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 2A receptor using [125I]-DOI as radioligand.				Bioorg Med Chem Lett 13: 767-70 (2003) BindingDB Entry DOI: 10.7270/Q25H7FNW
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50383163 (CHEMBL2031885) Show SMILES C[C@@H]1CCCN1CCN1CCc2cc(ccc2C1=O)-c1ccc(cc1)C(=O)N1CCCC1 |r| Show InChI InChI=1S/C27H33N3O2/c1-20-5-4-15-28(20)17-18-30-16-12-24-19-23(10-11-25(24)27(30)32)21-6-8-22(9-7-21)26(31)29-13-2-3-14-29/h6-11,19-20H,2-5,12-18H2,1H3/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-(R)-alpha-methylhistamine from human H3 receptor expressed in HEK293T cells after 120 mins by scintillation counting				J Med Chem 55: 2452-68 (2012) Article DOI: 10.1021/jm300011d BindingDB Entry DOI: 10.7270/Q2736RZR
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50334730 (3-(Naphthalen-1-ylsulfonyl)-5-(piperazin-1-ylmethy...) Show SMILES O=S(=O)(c1n[nH]c2ccc(CN3CCNCC3)cc12)c1cccc2ccccc12 Show InChI InChI=1S/C22H22N4O2S/c27-29(28,21-7-3-5-17-4-1-2-6-18(17)21)22-19-14-16(8-9-20(19)24-25-22)15-26-12-10-23-11-13-26/h1-9,14,23H,10-13,15H2,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]-LSD from cloned human 5-HT6 receptor expressed in human HeLa cells				Bioorg Med Chem 19: 650-62 (2011) Article DOI: 10.1016/j.bmc.2010.10.033 BindingDB Entry DOI: 10.7270/Q29S1R9V
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50316949 ((3R)-3-((3-((2-oxo-1,2,3,4-tetrahydroquinolin-7-yl...) Show SMILES O=C1Cc2c(N1)ccc1O[C@H](CN3C4CCC3CC(Cc3ccc5CCC(=O)Nc5c3)C4)COc21 |r| Show InChI InChI=1S/C28H31N3O4/c32-26-8-3-18-2-1-16(12-24(18)30-26)9-17-10-19-4-5-20(11-17)31(19)14-21-15-34-28-22-13-27(33)29-23(22)6-7-25(28)35-21/h1-2,6-7,12,17,19-21H,3-5,8-11,13-15H2,(H,29,33)(H,30,32)/t17?,19?,20?,21-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]citalopram form human SRET by liquid scintillation counting				Bioorg Med Chem Lett 20: 2983-6 (2010) Article DOI: 10.1016/j.bmcl.2010.02.105 BindingDB Entry DOI: 10.7270/Q2VH5P0Q
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50383144 (CHEMBL2031864) Show SMILES C[C@@H]1CCCN1CCN1CCc2cc(Oc3ccc(nc3)C#N)ccc2C1=O |r| Show InChI InChI=1S/C22H24N4O2/c1-16-3-2-9-25(16)11-12-26-10-8-17-13-19(6-7-21(17)22(26)27)28-20-5-4-18(14-23)24-15-20/h4-7,13,15-16H,2-3,8-12H2,1H3/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-(R)-alpha-methylhistamine from human H3 receptor expressed in HEK293T cells after 120 mins by scintillation counting				J Med Chem 55: 2452-68 (2012) Article DOI: 10.1021/jm300011d BindingDB Entry DOI: 10.7270/Q2736RZR
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM35226 ((S,S)-reboxetine | Reboxetine | Vestra) Show SMILES CCOc1ccccc1O[C@H]([C@@H]1CNCCO1)c1ccccc1 |r| Show InChI InChI=1S/C19H23NO3/c1-2-21-16-10-6-7-11-17(16)23-19(15-8-4-3-5-9-15)18-14-20-12-13-22-18/h3-11,18-20H,2,12-14H2,1H3/t18-,19-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	0.300	-56.5	n/a	n/a	n/a	n/a	n/a	7.4	37
Wyeth Research					Assay Description Compounds were evaluated the inhibition of [3H] nisoxetine binding to MDCK-Net6 cells, stably transfected with the human norepinephrine transporter (...				Bioorg Med Chem 17: 7802-15 (2009) Article DOI: 10.1016/j.bmc.2009.09.023 BindingDB Entry DOI: 10.7270/Q26Q1VK2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50300820 (CHEMBL565723 | N-(2-{3-[(3-Chlorophenyl)sulfonyl]-...) Show SMILES CNCCn1cc(c2cccnc12)S(=O)(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C16H16ClN3O2S/c1-18-8-9-20-11-15(14-6-3-7-19-16(14)20)23(21,22)13-5-2-4-12(17)10-13/h2-7,10-11,18H,8-9H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in HeLa cells				Bioorg Med Chem 17: 5153-63 (2009) Article DOI: 10.1016/j.bmc.2009.05.055 BindingDB Entry DOI: 10.7270/Q25T3KJS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50125161 (1-(2-Amino-4-fluoro-phenyl)-4-(6bR,10aS)-1,2,6b,9,...) Show SMILES Nc1cc(F)ccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3SCCN2c13 Show InChI InChI=1S/C23H26FN3OS/c24-15-6-7-17(19(25)13-15)21(28)4-2-9-26-10-8-20-18(14-26)16-3-1-5-22-23(16)27(20)11-12-29-22/h1,3,5-7,13,18,20H,2,4,8-12,14,25H2/t18-,20-/m0/s1	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
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 2A receptor using [125I]-DOI as radioligand.				Bioorg Med Chem Lett 13: 767-70 (2003) BindingDB Entry DOI: 10.7270/Q25H7FNW
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50354216 (CHEMBL1836004) Show SMILES Cc1nc2ccccc2n1-c1ccc(cc1)C(=O)N1CC[C@@H](C1)N1CCCC1 |r| Show InChI InChI=1S/C23H26N4O/c1-17-24-21-6-2-3-7-22(21)27(17)19-10-8-18(9-11-19)23(28)26-15-12-20(16-26)25-13-4-5-14-25/h2-3,6-11,20H,4-5,12-16H2,1H3/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-(R)alpha-methylhistamine from human histamine H3 receptor expressed in human HEK293T cells				Bioorg Med Chem Lett 21: 5957-60 (2011) Article DOI: 10.1016/j.bmcl.2011.07.061 BindingDB Entry DOI: 10.7270/Q2QN6753
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50316673 (5-Fluoro-8-{4-[4-(6-methoxyquinolin-8-yl)piperazin...) Show SMILES COc1cc(N2CCN(CC2)C2CCN(CC2)c2ccc(F)c3cccnc23)c2ncccc2c1 Show InChI InChI=1S/C28H30FN5O/c1-35-22-18-20-4-2-10-30-27(20)26(19-22)34-16-14-32(15-17-34)21-8-12-33(13-9-21)25-7-6-24(29)23-5-3-11-31-28(23)25/h2-7,10-11,18-19,21H,8-9,12-17H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells				J Med Chem 53: 4066-84 (2010) Article DOI: 10.1021/jm1000908 BindingDB Entry DOI: 10.7270/Q28P60P7
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50354216 (CHEMBL1836004) Show SMILES Cc1nc2ccccc2n1-c1ccc(cc1)C(=O)N1CC[C@@H](C1)N1CCCC1 |r| Show InChI InChI=1S/C23H26N4O/c1-17-24-21-6-2-3-7-22(21)27(17)19-10-8-18(9-11-19)23(28)26-15-12-20(16-26)25-13-4-5-14-25/h2-3,6-11,20H,4-5,12-16H2,1H3/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-(R)-alpha-methylhistamine from human H3 receptor expressed in HEK293T cells after 120 mins by scintillation counting				J Med Chem 55: 2452-68 (2012) Article DOI: 10.1021/jm300011d BindingDB Entry DOI: 10.7270/Q2736RZR
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50302220 (7-((1-((6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-...) Show SMILES Fc1ccc2[nH]c3CCC(CN4CCC(COc5cccc6[nH]c(=O)oc56)CC4)Cc3c2c1 Show InChI InChI=1S/C26H28FN3O3/c27-18-5-7-22-20(13-18)19-12-17(4-6-21(19)28-22)14-30-10-8-16(9-11-30)15-32-24-3-1-2-23-25(24)33-26(31)29-23/h1-3,5,7,13,16-17,28H,4,6,8-12,14-15H2,(H,29,31)	PDB 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
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from human serotonin transporter expressed in HEK293 cells by scintillation proximity assay				Bioorg Med Chem Lett 19: 5552-5 (2009) Article DOI: 10.1016/j.bmcl.2009.08.050 BindingDB Entry DOI: 10.7270/Q2Z89DCC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50125173 (1-(2-Amino-4-fluoro-phenyl)-4-(7bS,11aR)-6,7,8,9,1...) Show SMILES Nc1cc(F)ccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3SCCCN2c13 Show InChI InChI=1S/C24H28FN3OS/c25-16-7-8-18(20(26)14-16)22(29)5-2-10-27-12-9-21-19(15-27)17-4-1-6-23-24(17)28(21)11-3-13-30-23/h1,4,6-8,14,19,21H,2-3,5,9-13,15,26H2/t19-,21-/m0/s1	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
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 2A receptor using [125I]-DOI as radioligand.				Bioorg Med Chem Lett 13: 767-70 (2003) BindingDB Entry DOI: 10.7270/Q25H7FNW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50316677 (6-Methoxy-8-{4-[1-(8-quinolinyl)-4-piperidinyl]-1-...) Show SMILES COc1cc(N2CCN(CC2)C2CCN(CC2)c2cccc3cccnc23)c2ncccc2c1 Show InChI InChI=1S/C28H31N5O/c1-34-24-19-22-7-4-12-30-28(22)26(20-24)33-17-15-31(16-18-33)23-9-13-32(14-10-23)25-8-2-5-21-6-3-11-29-27(21)25/h2-8,11-12,19-20,23H,9-10,13-18H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells				J Med Chem 53: 4066-84 (2010) Article DOI: 10.1021/jm1000908 BindingDB Entry DOI: 10.7270/Q28P60P7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50316680 (8-{4-[4-(6-Methoxyquinolin-8-yl)piperazin-1-yl]pip...) Show SMILES COc1cc(N2CCN(CC2)C2CCN(CC2)c2cccc3cc(C)cnc23)c2ncccc2c1 Show InChI InChI=1S/C29H33N5O/c1-21-17-22-5-3-7-26(28(22)31-20-21)33-11-8-24(9-12-33)32-13-15-34(16-14-32)27-19-25(35-2)18-23-6-4-10-30-29(23)27/h3-7,10,17-20,24H,8-9,11-16H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells				J Med Chem 53: 4066-84 (2010) Article DOI: 10.1021/jm1000908 BindingDB Entry DOI: 10.7270/Q28P60P7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50316684 (3,5-Difluoro-8-{4-[4-(6-methoxyquinolin-8-yl)piper...) Show SMILES COc1cc(N2CCN(CC2)C2CCN(CC2)c2ccc(F)c3cc(F)cnc23)c2ncccc2c1 Show InChI InChI=1S/C28H29F2N5O/c1-36-22-15-19-3-2-8-31-27(19)26(17-22)35-13-11-33(12-14-35)21-6-9-34(10-7-21)25-5-4-24(30)23-16-20(29)18-32-28(23)25/h2-5,8,15-18,21H,6-7,9-14H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells				J Med Chem 53: 4066-84 (2010) Article DOI: 10.1021/jm1000908 BindingDB Entry DOI: 10.7270/Q28P60P7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50125154 (1-(2-Amino-4-fluoro-phenyl)-4-(7aS,11aR)-5,6,8,9,1...) Show SMILES Nc1cc(F)ccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3CCCN2c13 Show InChI InChI=1S/C24H28FN3O/c25-17-8-9-19(21(26)14-17)23(29)7-3-11-27-13-10-22-20(15-27)18-6-1-4-16-5-2-12-28(22)24(16)18/h1,4,6,8-9,14,20,22H,2-3,5,7,10-13,15,26H2/t20-,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 2A receptor using [125I]-DOI as radioligand.				Bioorg Med Chem Lett 13: 767-70 (2003) BindingDB Entry DOI: 10.7270/Q25H7FNW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM35255 (2-Chlor-11-(2-dimethylaminoaethoxy)-dibenzo(b,f)-t...) Show SMILES CN(C)CCOC1=Cc2ccccc2Sc2ccc(Cl)cc12 |t:6| Show InChI InChI=1S/C18H18ClNOS/c1-20(2)9-10-21-16-11-13-5-3-4-6-17(13)22-18-8-7-14(19)12-15(16)18/h3-8,11-12H,9-10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank 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
Wyeth Research					Assay Description Compounds were evaluated the inhibition of [3H] ketanserin binding to membranes from CHO cells, stably transfected with the human 5-HT2A receptor. Da...				Bioorg Med Chem 17: 7802-15 (2009) Article DOI: 10.1016/j.bmc.2009.09.023 BindingDB Entry DOI: 10.7270/Q26Q1VK2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM28574 (1-sulfonylindazole, 6c | 3-amino-N-[1-(naphthalene...) Show SMILES NCCC(=O)Nc1ccc2cnn(c2c1)S(=O)(=O)c1cccc2ccccc12 Show InChI InChI=1S/C20H18N4O3S/c21-11-10-20(25)23-16-9-8-15-13-22-24(18(15)12-16)28(26,27)19-7-3-5-14-4-1-2-6-17(14)19/h1-9,12-13H,10-11,21H2,(H,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.5	-52.6	n/a	n/a	n/a	n/a	n/a	7.4	22
Wyeth Research					Assay Description Competition experiments were performed in the presence radioligand with membrane protein (obtained from cells expressing the receptor) and test compo...				Bioorg Med Chem Lett 19: 2413-5 (2009) Article DOI: 10.1016/j.bmcl.2009.03.071 BindingDB Entry DOI: 10.7270/Q28K77CF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50308167 ((3R)-N,N-Dimethyl-1-[3-(1-naphthylsulfonyl)-1H-ind...) Show SMILES CN(C)[C@@H]1CCN(C1)c1ccc2[nH]nc(c2c1)S(=O)(=O)c1cccc2ccccc12 |r| Show InChI InChI=1S/C23H24N4O2S/c1-26(2)18-12-13-27(15-18)17-10-11-21-20(14-17)23(25-24-21)30(28,29)22-9-5-7-16-6-3-4-8-19(16)22/h3-11,14,18H,12-13,15H2,1-2H3,(H,24,25)/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5HT6 receptor by scintillation counting				J Med Chem 53: 2521-7 (2010) Article DOI: 10.1021/jm901674f BindingDB Entry DOI: 10.7270/Q22B8Z43
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50316688 (8-{4-[4-(6-Methoxyquinolin-8-yl)piperazin-1-yl]pip...) Show SMILES COc1cc(N2CCN(CC2)C2CCN(CC2)c2cccc3ccc(C)nc23)c2ncccc2c1 Show InChI InChI=1S/C29H33N5O/c1-21-8-9-22-5-3-7-26(29(22)31-21)33-13-10-24(11-14-33)32-15-17-34(18-16-32)27-20-25(35-2)19-23-6-4-12-30-28(23)27/h3-9,12,19-20,24H,10-11,13-18H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells				J Med Chem 53: 4066-84 (2010) Article DOI: 10.1021/jm1000908 BindingDB Entry DOI: 10.7270/Q28P60P7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50007659 (CHEMBL3233142) Show SMILES Cc1ccc(cc1)S([O-])(=O)=O.[H][C@]12CC[NH+](CCCC(=O)c3ccc(F)cc3)C[C@@]1([H])c1cccc3N(C)CCN2c13 |r| Show InChI InChI=1S/C24H28FN3O.C7H8O3S/c1-26-14-15-28-21-11-13-27(16-20(21)19-4-2-5-22(26)24(19)28)12-3-6-23(29)17-7-9-18(25)10-8-17;1-6-2-4-7(5-3-6)11(8,9)10/h2,4-5,7-10,20-21H,3,6,11-16H2,1H3;2-5H,1H3,(H,8,9,10)/t20-,21-;/m0./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Intra-Cellular Therapies, Inc. Curated by ChEMBL					Assay Description Displacement of [125]DOI from human recombinant full length 5HT2A receptor expressed in HEK293E cells				J Med Chem 57: 2670-82 (2014) Article DOI: 10.1021/jm401958n BindingDB Entry DOI: 10.7270/Q27D2WNZ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50383142 (CHEMBL2031862) Show SMILES C[C@@H]1CCCN1CCN1CCc2cc(Oc3ccc(cc3)C#N)ccc2C1=O |r| Show InChI InChI=1S/C23H25N3O2/c1-17-3-2-11-25(17)13-14-26-12-10-19-15-21(8-9-22(19)23(26)27)28-20-6-4-18(16-24)5-7-20/h4-9,15,17H,2-3,10-14H2,1H3/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-(R)-alpha-methylhistamine from human H3 receptor expressed in HEK293T cells after 120 mins by scintillation counting				J Med Chem 55: 2452-68 (2012) Article DOI: 10.1021/jm300011d BindingDB Entry DOI: 10.7270/Q2736RZR
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50125170 (1-(2-Amino-4-fluoro-phenyl)-4-(7bS,11aR)-4,5,6,7,8...) Show SMILES Nc1cc(F)ccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3CCCCN2c13 Show InChI InChI=1S/C25H30FN3O/c26-18-9-10-20(22(27)15-18)24(30)8-4-12-28-14-11-23-21(16-28)19-7-3-6-17-5-1-2-13-29(23)25(17)19/h3,6-7,9-10,15,21,23H,1-2,4-5,8,11-14,16,27H2/t21-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 2A receptor using [125I]-DOI as radioligand.				Bioorg Med Chem Lett 13: 767-70 (2003) BindingDB Entry DOI: 10.7270/Q25H7FNW
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM35229 (3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-met...) Show SMILES CNCCCN1c2ccccc2CCc2ccccc12 Show InChI InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	0.600	-54.8	n/a	n/a	n/a	n/a	n/a	7.4	37
Wyeth Research					Assay Description Compounds were evaluated the inhibition of [3H] nisoxetine binding to MDCK-Net6 cells, stably transfected with the human norepinephrine transporter (...				Bioorg Med Chem 17: 7802-15 (2009) Article DOI: 10.1016/j.bmc.2009.09.023 BindingDB Entry DOI: 10.7270/Q26Q1VK2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50334734 (3-(Naphthalen-2-ylsulfonyl)-N-(piperidin-4-yl)-1H-...) Show SMILES O=S(=O)(c1n[nH]c2ccc(NC3CCNCC3)cc12)c1ccc2ccccc2c1 Show InChI InChI=1S/C22H22N4O2S/c27-29(28,19-7-5-15-3-1-2-4-16(15)13-19)22-20-14-18(6-8-21(20)25-26-22)24-17-9-11-23-12-10-17/h1-8,13-14,17,23-24H,9-12H2,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]-LSD from cloned human 5-HT6 receptor expressed in human HeLa cells				Bioorg Med Chem 19: 650-62 (2011) Article DOI: 10.1016/j.bmc.2010.10.033 BindingDB Entry DOI: 10.7270/Q29S1R9V
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50125174 (1-(2-Amino-phenyl)-4-(7bS,11aR)-6,7,8,9,11,11a-hex...) Show SMILES Nc1ccccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3SCCCN2c13 Show InChI InChI=1S/C24H29N3OS/c25-20-8-2-1-6-18(20)22(28)9-4-12-26-14-11-21-19(16-26)17-7-3-10-23-24(17)27(21)13-5-15-29-23/h1-3,6-8,10,19,21H,4-5,9,11-16,25H2/t19-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 2A receptor using [125I]-DOI as radioligand.				Bioorg Med Chem Lett 13: 767-70 (2003) BindingDB Entry DOI: 10.7270/Q25H7FNW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50316690 (8-{4-[4-(6-Methoxyquinolin-8-yl)piperazin-1-yl]pip...) Show SMILES COc1cc(N2CCN(CC2)C2CCN(CC2)c2cccc3c(C)ccnc23)c2ncccc2c1 Show InChI InChI=1S/C29H33N5O/c1-21-8-12-31-29-25(21)6-3-7-26(29)33-13-9-23(10-14-33)32-15-17-34(18-16-32)27-20-24(35-2)19-22-5-4-11-30-28(22)27/h3-8,11-12,19-20,23H,9-10,13-18H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells				J Med Chem 53: 4066-84 (2010) Article DOI: 10.1021/jm1000908 BindingDB Entry DOI: 10.7270/Q28P60P7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50316682 (6-Bromo-8-{4-[4-(6-methoxyquinolin-8-yl)piperazin-...) Show SMILES COc1cc(N2CCN(CC2)C2CCN(CC2)c2cc(Br)cc3cccnc23)c2ncccc2c1 Show InChI InChI=1S/C28H30BrN5O/c1-35-24-17-21-5-3-9-31-28(21)26(19-24)34-14-12-32(13-15-34)23-6-10-33(11-7-23)25-18-22(29)16-20-4-2-8-30-27(20)25/h2-5,8-9,16-19,23H,6-7,10-15H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells				J Med Chem 53: 4066-84 (2010) Article DOI: 10.1021/jm1000908 BindingDB Entry DOI: 10.7270/Q28P60P7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50316678 (8-{4-[4-(6-Methoxyquinolin-8-yl)piperazin-1-yl]pip...) Show SMILES COc1cc(N2CCN(CC2)C2CCN(CC2)c2cccc3c(C)cc(C)nc23)c2ncccc2c1 Show InChI InChI=1S/C30H35N5O/c1-21-18-22(2)32-30-26(21)7-4-8-27(30)34-12-9-24(10-13-34)33-14-16-35(17-15-33)28-20-25(36-3)19-23-6-5-11-31-29(23)28/h4-8,11,18-20,24H,9-10,12-17H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells				J Med Chem 53: 4066-84 (2010) Article DOI: 10.1021/jm1000908 BindingDB Entry DOI: 10.7270/Q28P60P7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50217902 (3-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfon...) Show SMILES ClC1=NC2SC=CN2C1S(=O)(=O)c1cn(C2CCCNC2)c2ncccc12 |c:5,t:1| Show InChI InChI=1S/C17H18ClN5O2S2/c18-14-16(22-7-8-26-17(22)21-14)27(24,25)13-10-23(11-3-1-5-19-9-11)15-12(13)4-2-6-20-15/h2,4,6-8,10-11,16-17,19H,1,3,5,9H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]LSD from cloned human 5HT6 expressed in HeLa cells				Bioorg Med Chem 15: 6208-26 (2007) Article DOI: 10.1016/j.bmc.2007.06.024 BindingDB Entry DOI: 10.7270/Q2HT2P2G
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50217922 (3-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfon...) Show SMILES CCN1CCCC(C1)n1cc(c2cccnc12)S(=O)(=O)C1N2C=CSC2N=C1Cl |c:25,30| Show InChI InChI=1S/C19H22ClN5O2S2/c1-2-23-8-4-5-13(11-23)25-12-15(14-6-3-7-21-17(14)25)29(26,27)18-16(20)22-19-24(18)9-10-28-19/h3,6-7,9-10,12-13,18-19H,2,4-5,8,11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]LSD from cloned human 5HT6 expressed in HeLa cells				Bioorg Med Chem 15: 6208-26 (2007) Article DOI: 10.1016/j.bmc.2007.06.024 BindingDB Entry DOI: 10.7270/Q2HT2P2G
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50125173 (1-(2-Amino-4-fluoro-phenyl)-4-(7bS,11aR)-6,7,8,9,1...) Show SMILES Nc1cc(F)ccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3SCCCN2c13 Show InChI InChI=1S/C24H28FN3OS/c25-16-7-8-18(20(26)14-16)22(29)5-2-10-27-12-9-21-19(15-27)17-4-1-6-23-24(17)28(21)11-3-13-30-23/h1,4,6-8,14,19,21H,2-3,5,9-13,15,26H2/t19-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Binding affinity towards DA D2 receptor using [3H]-N-methyl-spiperone as radioligand.				Bioorg Med Chem Lett 13: 767-70 (2003) BindingDB Entry DOI: 10.7270/Q25H7FNW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50125163 (1-(2-Amino-phenyl)-4-(7bS,11aR)-4,5,6,7,8,9,11,11a...) Show SMILES Nc1ccccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3CCCCN2c13 Show InChI InChI=1S/C25H31N3O/c26-22-11-2-1-9-20(22)24(29)12-6-14-27-16-13-23-21(17-27)19-10-5-8-18-7-3-4-15-28(23)25(18)19/h1-2,5,8-11,21,23H,3-4,6-7,12-17,26H2/t21-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 2A receptor using [125I]-DOI as radioligand.				Bioorg Med Chem Lett 13: 767-70 (2003) BindingDB Entry DOI: 10.7270/Q25H7FNW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50334731 (CHEMBL1642851 | [3-(Naphthalen-1-sulfonyl)-1H-inda...) Show SMILES O=S(=O)(c1n[nH]c2ccc(NC3CCNCC3)cc12)c1cccc2ccccc12 Show InChI InChI=1S/C22H22N4O2S/c27-29(28,21-7-3-5-15-4-1-2-6-18(15)21)22-19-14-17(8-9-20(19)25-26-22)24-16-10-12-23-13-11-16/h1-9,14,16,23-24H,10-13H2,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]-LSD from cloned human 5-HT6 receptor expressed in human HeLa cells				Bioorg Med Chem 19: 650-62 (2011) Article DOI: 10.1016/j.bmc.2010.10.033 BindingDB Entry DOI: 10.7270/Q29S1R9V
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50316679 (3-Fluoro-8-{4-[4-(6-methoxyquinolin-8-yl)piperazin...) Show SMILES COc1cc(N2CCN(CC2)C2CCN(CC2)c2cccc3cc(F)cnc23)c2ncccc2c1 Show InChI InChI=1S/C28H30FN5O/c1-35-24-17-21-5-3-9-30-28(21)26(18-24)34-14-12-32(13-15-34)23-7-10-33(11-8-23)25-6-2-4-20-16-22(29)19-31-27(20)25/h2-6,9,16-19,23H,7-8,10-15H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.790	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells				J Med Chem 53: 4066-84 (2010) Article DOI: 10.1021/jm1000908 BindingDB Entry DOI: 10.7270/Q28P60P7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50125169 (1-(2-Amino-phenyl)-4-(6bR,10aS)-1,2,6b,9,10,10a-he...) Show SMILES Nc1ccccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3SCCN2c13 Show InChI InChI=1S/C23H27N3OS/c24-19-7-2-1-5-17(19)21(27)8-4-11-25-12-10-20-18(15-25)16-6-3-9-22-23(16)26(20)13-14-28-22/h1-3,5-7,9,18,20H,4,8,10-15,24H2/t18-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 2A receptor using [125I]-DOI as radioligand.				Bioorg Med Chem Lett 13: 767-70 (2003) BindingDB Entry DOI: 10.7270/Q25H7FNW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50217909 (3-(6-chloro-imidazo[2,1-b]thiazole-5-sulfonyl)-1-(...) Show SMILES CN1CCC(C1)n1cc(c2cccnc12)S(=O)(=O)C1N2C=CSC2N=C1Cl |c:23,28| Show InChI InChI=1S/C17H18ClN5O2S2/c1-21-6-4-11(9-21)23-10-13(12-3-2-5-19-15(12)23)27(24,25)16-14(18)20-17-22(16)7-8-26-17/h2-3,5,7-8,10-11,16-17H,4,6,9H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]LSD from cloned human 5HT6 expressed in HeLa cells				Bioorg Med Chem 15: 6208-26 (2007) Article DOI: 10.1016/j.bmc.2007.06.024 BindingDB Entry DOI: 10.7270/Q2HT2P2G
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50125177 (CHEMBL162768 | N-[5-Fluoro-2-((7bS,11aR)-4-6,7,8,9...) Show SMILES CC(=O)Nc1cc(F)ccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3SCCCN2c13 Show InChI InChI=1S/C26H30FN3O2S/c1-17(31)28-22-15-18(27)8-9-20(22)24(32)6-3-11-29-13-10-23-21(16-29)19-5-2-7-25-26(19)30(23)12-4-14-33-25/h2,5,7-9,15,21,23H,3-4,6,10-14,16H2,1H3,(H,28,31)/t21-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 2A receptor using [125I]-DOI as radioligand.				Bioorg Med Chem Lett 13: 767-70 (2003) BindingDB Entry DOI: 10.7270/Q25H7FNW
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50383138 (CHEMBL2031762) Show SMILES C[C@@H]1CCCN1CCN1CCc2cc(ccc2C1=O)-c1ccc(cc1)C#N |r| Show InChI InChI=1S/C23H25N3O/c1-17-3-2-11-25(17)13-14-26-12-10-21-15-20(8-9-22(21)23(26)27)19-6-4-18(16-24)5-7-19/h4-9,15,17H,2-3,10-14H2,1H3/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-(R)-alpha-methylhistamine from human H3 receptor expressed in HEK293T cells after 120 mins by scintillation counting				J Med Chem 55: 2452-68 (2012) Article DOI: 10.1021/jm300011d BindingDB Entry DOI: 10.7270/Q2736RZR
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50334754 (CHEMBL1642883 | N-(Piperidin-4-yl)-3-(m-tolylsulfo...) Show SMILES Cc1cccc(c1)S(=O)(=O)c1n[nH]c2ccc(NC3CCNCC3)cc12 Show InChI InChI=1S/C19H22N4O2S/c1-13-3-2-4-16(11-13)26(24,25)19-17-12-15(5-6-18(17)22-23-19)21-14-7-9-20-10-8-14/h2-6,11-12,14,20-21H,7-10H2,1H3,(H,22,23)	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
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]-LSD from cloned human 5-HT6 receptor expressed in human HeLa cells				Bioorg Med Chem 19: 650-62 (2011) Article DOI: 10.1016/j.bmc.2010.10.033 BindingDB Entry DOI: 10.7270/Q29S1R9V
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50125151 (1-(2-Amino-phenyl)-4-(7aS,11aR)-5,6,8,9,11,11a-hex...) Show SMILES Nc1ccccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3CCCN2c13 Show InChI InChI=1S/C24H29N3O/c25-21-10-2-1-8-19(21)23(28)11-5-13-26-15-12-22-20(16-26)18-9-3-6-17-7-4-14-27(22)24(17)18/h1-3,6,8-10,20,22H,4-5,7,11-16,25H2/t20-,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 2A receptor using [125I]-DOI as radioligand.				Bioorg Med Chem Lett 13: 767-70 (2003) BindingDB Entry DOI: 10.7270/Q25H7FNW
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50383167 (CHEMBL2031741) Show SMILES O=C1N(CCN2CCCC2)CCc2cc(ccc12)-n1cnc2ccccc12 Show InChI InChI=1S/C22H24N4O/c27-22-19-8-7-18(26-16-23-20-5-1-2-6-21(20)26)15-17(19)9-12-25(22)14-13-24-10-3-4-11-24/h1-2,5-8,15-16H,3-4,9-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-(R)-alpha-methylhistamine from human H3 receptor expressed in HEK293T cells after 120 mins by scintillation counting				J Med Chem 55: 2452-68 (2012) Article DOI: 10.1021/jm300011d BindingDB Entry DOI: 10.7270/Q2736RZR
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50316683 (5-Fluoro-8-{4-[4-(6-methoxyquinolin-8-yl)piperazin...) Show SMILES COc1cc(N2CCN(CC2)C2CCN(CC2)c2ccc(F)c3cc(cnc23)C(F)(F)F)c2ncccc2c1 Show InChI InChI=1S/C29H29F4N5O/c1-39-22-15-19-3-2-8-34-27(19)26(17-22)38-13-11-36(12-14-38)21-6-9-37(10-7-21)25-5-4-24(30)23-16-20(29(31,32)33)18-35-28(23)25/h2-5,8,15-18,21H,6-7,9-14H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.870	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells				J Med Chem 53: 4066-84 (2010) Article DOI: 10.1021/jm1000908 BindingDB Entry DOI: 10.7270/Q28P60P7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50007666 (CHEMBL3233432) Show SMILES [H][C@]12CCN(CCCC(=O)c3ccc(F)cc3)C[C@@]1([H])c1cccc3OCCN2c13 |r| Show InChI InChI=1S/C23H25FN2O2/c24-17-8-6-16(7-9-17)21(27)4-2-11-25-12-10-20-19(15-25)18-3-1-5-22-23(18)26(20)13-14-28-22/h1,3,5-9,19-20H,2,4,10-15H2/t19-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.890	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Intra-Cellular Therapies, Inc. Curated by ChEMBL					Assay Description Displacement of [125]DOI from human recombinant full length 5HT2A receptor expressed in HEK293E cells				J Med Chem 57: 2670-82 (2014) Article DOI: 10.1021/jm401958n BindingDB Entry DOI: 10.7270/Q27D2WNZ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50383153 (CHEMBL2031874) Show SMILES CN(C)C(=O)c1ccc(cc1)-c1ccc2C(=O)N(CCN3CCCC3)CCc2c1 Show InChI InChI=1S/C24H29N3O2/c1-25(2)23(28)19-7-5-18(6-8-19)20-9-10-22-21(17-20)11-14-27(24(22)29)16-15-26-12-3-4-13-26/h5-10,17H,3-4,11-16H2,1-2H3	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
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-(R)-alpha-methylhistamine from human H3 receptor expressed in HEK293T cells after 120 mins by scintillation counting				J Med Chem 55: 2452-68 (2012) Article DOI: 10.1021/jm300011d BindingDB Entry DOI: 10.7270/Q2736RZR
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50330507 (5-(4-Methylpiperazin-1-yl)-3-(m-tolylsulfonyl)-1H-...) Show SMILES CN1CCN(CC1)c1ccc2[nH]nc(c2c1)S(=O)(=O)c1cccc(C)c1 Show InChI InChI=1S/C19H22N4O2S/c1-14-4-3-5-16(12-14)26(24,25)19-17-13-15(6-7-18(17)20-21-19)23-10-8-22(2)9-11-23/h3-7,12-13H,8-11H2,1-2H3,(H,20,21)	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
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in human HeLa cells				J Med Chem 53: 7639-46 (2010) Article DOI: 10.1021/jm1007825 BindingDB Entry DOI: 10.7270/Q2GQ6XZ6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50125150 (1-(2-Amino-4-fluoro-phenyl)-4-(7bR,11aS)-4,5,6,7,8...) Show SMILES Nc1cc(F)ccc1C(=O)CCCN1CC[C@@H]2[C@H](C1)c1cccc3CCCCN2c13 Show InChI InChI=1S/C25H30FN3O/c26-18-9-10-20(22(27)15-18)24(30)8-4-12-28-14-11-23-21(16-28)19-7-3-6-17-5-1-2-13-29(23)25(17)19/h3,6-7,9-10,15,21,23H,1-2,4-5,8,11-14,16,27H2/t21-,23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 2A receptor using [125I]-DOI as radioligand.				Bioorg Med Chem Lett 13: 767-70 (2003) BindingDB Entry DOI: 10.7270/Q25H7FNW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50217891 (3-(3-bromo-benzenesulfonyl)-1-(1-methyl-pyrrolidin...) Show SMILES CN1CCC(C1)n1cc(c2cccnc12)S(=O)(=O)c1cccc(Br)c1 |w:4.6| Show InChI InChI=1S/C18H18BrN3O2S/c1-21-9-7-14(11-21)22-12-17(16-6-3-8-20-18(16)22)25(23,24)15-5-2-4-13(19)10-15/h2-6,8,10,12,14H,7,9,11H2,1H3	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
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]LSD from cloned human 5HT6 expressed in HeLa cells				Bioorg Med Chem 15: 6208-26 (2007) Article DOI: 10.1016/j.bmc.2007.06.024 BindingDB Entry DOI: 10.7270/Q2HT2P2G
					More data for this Ligand-Target Pair

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