Compile Data Set for Download or QSAR

Found 547 hits with Last Name = 'thomas' and Initial = 'dr'   

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 (Homo sapiens (Human))	BDBM50474415 (CHEMBL2112882) Show SMILES [H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)C(=O)N[C@]1(C)O[C@@]2(O)[C@H](Cc5ccccc5)NC(=O)[C@H](CC(C)C)N2C1=O)c34 |c:12| Show InChI InChI=1S/C34H39N5O5/c1-19(2)13-27-31(41)36-28(14-20-9-6-5-7-10-20)34(43)39(27)32(42)33(3,44-34)37-30(40)22-15-24-23-11-8-12-25-29(23)21(17-35-25)16-26(24)38(4)18-22/h5-12,15,17,19,22,26-28,35,43H,13-14,16,18H2,1-4H3,(H,36,41)(H,37,40)/t22-,26-,27+,28+,33-,34+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 1A human cloned receptors in HEK293 cells using [3H]8-OH-DPAT as radioligand				J Med Chem 46: 5117-20 (2003) Article DOI: 10.1021/jm0341204 BindingDB Entry DOI: 10.7270/Q2Q242ZQ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50412114 (CHEMBL183460 | SB-649915) Show SMILES Cc1ccc2c(OCCN3CCC(Cc4ccc5OCC(=O)Nc5c4)CC3)cccc2n1 Show InChI InChI=1S/C26H29N3O3/c1-18-5-7-21-22(27-18)3-2-4-24(21)31-14-13-29-11-9-19(10-12-29)15-20-6-8-25-23(16-20)28-26(30)17-32-25/h2-8,16,19H,9-15,17H2,1H3,(H,28,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Mean negative logarithim of binding affinity was measured for the human 5-hydroxytryptamine 1A receptor; n>/=3				Bioorg Med Chem Lett 15: 737-41 (2005) Article DOI: 10.1016/j.bmcl.2004.11.030 BindingDB Entry DOI: 10.7270/Q2RR220M
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM21392 (3-(2-aminoethyl)-1H-indole-5-carboxamide | 5-CT | ...) Show SMILES NCCc1c[nH]c2ccc(cc12)C(N)=O Show InChI InChI=1S/C11H13N3O/c12-4-3-8-6-14-10-2-1-7(11(13)15)5-9(8)10/h1-2,5-6,14H,3-4,12H2,(H2,13,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 7 human receptors				J Med Chem 46: 5117-20 (2003) Article DOI: 10.1021/jm0341204 BindingDB Entry DOI: 10.7270/Q2Q242ZQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50222900 (CHEMBL267062) Show SMILES O=C1N(CCN2CCC(CC2)c2c[nH]c3ccccc23)CCCc2ccccc12 Show InChI InChI=1S/C25H29N3O/c29-25-21-8-2-1-6-19(21)7-5-13-28(25)17-16-27-14-11-20(12-15-27)23-18-26-24-10-4-3-9-22(23)24/h1-4,6,8-10,18,20,26H,5,7,11-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.407	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity at human cloned 5-hydroxytryptamine 7 receptor.				Bioorg Med Chem Lett 13: 1055-8 (2003) BindingDB Entry DOI: 10.7270/Q2X066D4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50217828 (CHEMBL413707) Show SMILES Fc1ccc(OC2CCN(CC[C@H]3CCCN3S(=O)(=O)c3ccc4cc[nH]c4c3)CC2)cc1 Show InChI InChI=1S/C25H30FN3O3S/c26-20-4-6-22(7-5-20)32-23-11-16-28(17-12-23)15-10-21-2-1-14-29(21)33(30,31)24-8-3-19-9-13-27-25(19)18-24/h3-9,13,18,21,23,27H,1-2,10-12,14-17H2/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity for human cloned 5-hydroxytryptamine 7 receptor in HEK 293 using [3H]5-CT as a radioligand				Bioorg Med Chem Lett 12: 3341-4 (2002) BindingDB Entry DOI: 10.7270/Q2FT8P7C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50219087 (CHEMBL97637) Show SMILES O=S(=O)(Nc1ccc2nccc(N3CCNCC3)c2c1)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C25H24N4O2S/c30-32(31,22-9-6-20(7-10-22)19-4-2-1-3-5-19)28-21-8-11-24-23(18-21)25(12-13-27-24)29-16-14-26-15-17-29/h1-13,18,26,28H,14-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity against human 5-hydroxytryptamine 6 receptor				Bioorg Med Chem Lett 11: 2843-6 (2001) BindingDB Entry DOI: 10.7270/Q2TB192H
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50219087 (CHEMBL97637) Show SMILES O=S(=O)(Nc1ccc2nccc(N3CCNCC3)c2c1)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C25H24N4O2S/c30-32(31,22-9-6-20(7-10-22)19-4-2-1-3-5-19)28-21-8-11-24-23(18-21)25(12-13-27-24)29-16-14-26-15-17-29/h1-13,18,26,28H,14-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity to human cloned 5-HT6 receptor in HeLa cells using [3H]- LSD as radioligand				Bioorg Med Chem Lett 11: 2843-6 (2001) BindingDB Entry DOI: 10.7270/Q2TB192H
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50222781 (CHEMBL9951) Show SMILES Fc1ccc2n(ccc2c1)C1CCN(CCN2CCCc3ccccc3C2=O)CC1 Show InChI InChI=1S/C25H28FN3O/c26-21-7-8-24-20(18-21)9-15-29(24)22-10-13-27(14-11-22)16-17-28-12-3-5-19-4-1-2-6-23(19)25(28)30/h1-2,4,6-9,15,18,22H,3,5,10-14,16-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.562	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity at human cloned 5-hydroxytryptamine 7 receptor.				Bioorg Med Chem Lett 13: 1055-8 (2003) BindingDB Entry DOI: 10.7270/Q2X066D4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50219081 (CHEMBL261917) Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1 Show InChI InChI=1S/C23H28N4O2S/c1-23(2,3)17-4-7-19(8-5-17)30(28,29)26-18-6-9-21-20(16-18)22(10-11-25-21)27-14-12-24-13-15-27/h4-11,16,24,26H,12-15H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity against human 5-hydroxytryptamine 6 receptor				Bioorg Med Chem Lett 11: 2843-6 (2001) BindingDB Entry DOI: 10.7270/Q2TB192H
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50027185 (CHEMBL183921) Show SMILES CC(COc1ccc2OCC(=O)Nc2c1)NCC(O)COc1cccc2[nH]ccc12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity for human beta-2 adrenergic receptor by displacing [125I]iodocyanopindolol expressed in hamster CHO cells				Bioorg Med Chem Lett 15: 737-41 (2005) Article DOI: 10.1016/j.bmcl.2004.11.030 BindingDB Entry DOI: 10.7270/Q2RR220M
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50130286 (5-Chloro-3-methyl-benzo[b]thiophene-2-sulfonic aci...) Show SMILES COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN(C)CC1 Show InChI InChI=1S/C21H24ClN3O3S2/c1-14-17-12-15(22)4-7-20(17)29-21(14)30(26,27)23-16-5-6-19(28-3)18(13-16)25-10-8-24(2)9-11-25/h4-7,12-13,23H,8-11H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description The compound was tested for the binding affinity towards human cloned 5-hydroxytryptamine 6 receptor in HeLa cells, using [3H]5-LSD as radioligand; n...				Bioorg Med Chem Lett 12: 1357-60 (2002) BindingDB Entry DOI: 10.7270/Q2NK3H7V
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM21392 (3-(2-aminoethyl)-1H-indole-5-carboxamide | 5-CT | ...) Show SMILES NCCc1c[nH]c2ccc(cc12)C(N)=O Show InChI InChI=1S/C11H13N3O/c12-4-3-8-6-14-10-2-1-7(11(13)15)5-9(8)10/h1-2,5-6,14H,3-4,12H2,(H2,13,15)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 1A human cloned receptors in HEK293 cells using [3H]8-OH-DPAT as radioligand				J Med Chem 46: 5117-20 (2003) Article DOI: 10.1021/jm0341204 BindingDB Entry DOI: 10.7270/Q2Q242ZQ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50219081 (CHEMBL261917) Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1 Show InChI InChI=1S/C23H28N4O2S/c1-23(2,3)17-4-7-19(8-5-17)30(28,29)26-18-6-9-21-20(16-18)22(10-11-25-21)27-14-12-24-13-15-27/h4-11,16,24,26H,12-15H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity to human cloned 5-hydroxytryptamine 6 receptor in HeLa cells using [3H]- LSD as radioligand				Bioorg Med Chem Lett 11: 2843-6 (2001) BindingDB Entry DOI: 10.7270/Q2TB192H
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50027185 (CHEMBL183921) Show SMILES CC(COc1ccc2OCC(=O)Nc2c1)NCC(O)COc1cccc2[nH]ccc12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity for human beta-2 adrenergic receptor by displacing [125I]iodocyanopindolol expressed in hamster CHO cells				Bioorg Med Chem Lett 15: 737-41 (2005) Article DOI: 10.1016/j.bmcl.2004.11.030 BindingDB Entry DOI: 10.7270/Q2RR220M
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50027185 (CHEMBL183921) Show SMILES CC(COc1ccc2OCC(=O)Nc2c1)NCC(O)COc1cccc2[nH]ccc12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity for human beta-2 adrenergic receptor by displacing [125I]iodocyanopindolol expressed in hamster CHO cells				Bioorg Med Chem Lett 15: 737-41 (2005) Article DOI: 10.1016/j.bmcl.2004.11.030 BindingDB Entry DOI: 10.7270/Q2RR220M
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50217831 (CHEMBL430706) Show SMILES O=S(=O)(N1CCC[C@@H]1CCN1CCC(CC1)c1c[nH]c2ccccc12)c1ccc2cc[nH]c2c1 |r| Show InChI InChI=1S/C27H32N4O2S/c32-34(33,23-8-7-21-9-13-28-27(21)18-23)31-14-3-4-22(31)12-17-30-15-10-20(11-16-30)25-19-29-26-6-2-1-5-24(25)26/h1-2,5-9,13,18-20,22,28-29H,3-4,10-12,14-17H2/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.676	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity for human cloned 5-hydroxytryptamine 7 receptor in HEK 293 using [3H]5-CT as a radioligand				Bioorg Med Chem Lett 12: 3341-4 (2002) BindingDB Entry DOI: 10.7270/Q2FT8P7C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50217829 (CHEMBL115262) Show SMILES Oc1nc2ccccc2n1C1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccc3cc[nH]c3c2)CC1 Show InChI InChI=1S/C26H31N5O3S/c32-26-28-23-5-1-2-6-25(23)31(26)21-11-16-29(17-12-21)15-10-20-4-3-14-30(20)35(33,34)22-8-7-19-9-13-27-24(19)18-22/h1-2,5-9,13,18,20-21,27H,3-4,10-12,14-17H2,(H,28,32)/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.708	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity for human cloned 5-hydroxytryptamine 7 receptor in HEK 293 using [3H]5-CT as a radioligand				Bioorg Med Chem Lett 12: 3341-4 (2002) BindingDB Entry DOI: 10.7270/Q2FT8P7C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50027185 (CHEMBL183921) Show SMILES CC(COc1ccc2OCC(=O)Nc2c1)NCC(O)COc1cccc2[nH]ccc12 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Mean negative logarithim of binding affinity was measured for the human 5-hydroxytryptamine 1A receptor; n>/=3				Bioorg Med Chem Lett 15: 737-41 (2005) Article DOI: 10.1016/j.bmcl.2004.11.030 BindingDB Entry DOI: 10.7270/Q2RR220M
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50001824 (CHEMBL282971) Show SMILES [H][C@]12CCCN1CCN(C2)c1cc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)ccc1OC Show InChI InChI=1S/C23H26ClN3O3S2/c1-15-19-12-16(24)5-8-22(19)31-23(15)32(28,29)25-17-6-7-21(30-2)20(13-17)27-11-10-26-9-3-4-18(26)14-27/h5-8,12-13,18,25H,3-4,9-11,14H2,1-2H3/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description The compound was tested for the binding affinity towards human cloned 5-hydroxytryptamine 6 receptor in HeLa cells, using [3H]5-LSD as radioligand; n...				Bioorg Med Chem Lett 12: 1357-60 (2002) BindingDB Entry DOI: 10.7270/Q2NK3H7V
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50217832 (CHEMBL116292) Show SMILES Clc1ccc(cc1)C(=O)C1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccc3cc[nH]c3c2)CC1 Show InChI InChI=1S/C26H30ClN3O3S/c27-22-6-3-20(4-7-22)26(31)21-10-15-29(16-11-21)17-12-23-2-1-14-30(23)34(32,33)24-8-5-19-9-13-28-25(19)18-24/h3-9,13,18,21,23,28H,1-2,10-12,14-17H2/t23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity for human cloned 5-hydroxytryptamine 7 receptor in HEK 293 using [3H]5-CT as a radioligand				Bioorg Med Chem Lett 12: 3341-4 (2002) BindingDB Entry DOI: 10.7270/Q2FT8P7C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50027185 (CHEMBL183921) Show SMILES CC(COc1ccc2OCC(=O)Nc2c1)NCC(O)COc1cccc2[nH]ccc12 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Mean negative logarithim of binding affinity was measured for the human 5-hydroxytryptamine 1A receptor; n>/=3				Bioorg Med Chem Lett 15: 737-41 (2005) Article DOI: 10.1016/j.bmcl.2004.11.030 BindingDB Entry DOI: 10.7270/Q2RR220M
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50130270 (5-Chloro-3-methyl-benzo[b]thiophene-2-sulfonic aci...) Show SMILES COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN2CCC[C@H]2C1 Show InChI InChI=1S/C23H26ClN3O3S2/c1-15-19-12-16(24)5-8-22(19)31-23(15)32(28,29)25-17-6-7-21(30-2)20(13-17)27-11-10-26-9-3-4-18(26)14-27/h5-8,12-13,18,25H,3-4,9-11,14H2,1-2H3/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description The compound was tested for the binding affinity towards human cloned 5-hydroxytryptamine 6 receptor in HeLa cells, using [3H]5-LSD as radioligand; n...				Bioorg Med Chem Lett 12: 1357-60 (2002) BindingDB Entry DOI: 10.7270/Q2NK3H7V
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50217835 (CHEMBL114345) Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccc3cc[nH]c3c2)CC1 Show InChI InChI=1S/C26H30FN3O3S/c27-22-6-3-20(4-7-22)26(31)21-10-15-29(16-11-21)17-12-23-2-1-14-30(23)34(32,33)24-8-5-19-9-13-28-25(19)18-24/h3-9,13,18,21,23,28H,1-2,10-12,14-17H2/t23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.832	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity for human cloned 5-hydroxytryptamine 7 receptor in HEK 293 using [3H]5-CT as a radioligand				Bioorg Med Chem Lett 12: 3341-4 (2002) BindingDB Entry DOI: 10.7270/Q2FT8P7C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50219084 (CHEMBL97596) Show SMILES Clc1cccc2cc(ccc12)S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1 Show InChI InChI=1S/C23H21ClN4O2S/c24-21-3-1-2-16-14-18(5-6-19(16)21)31(29,30)27-17-4-7-22-20(15-17)23(8-9-26-22)28-12-10-25-11-13-28/h1-9,14-15,25,27H,10-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity against human 5-hydroxytryptamine 6 receptor				Bioorg Med Chem Lett 11: 2843-6 (2001) BindingDB Entry DOI: 10.7270/Q2TB192H
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50219089 (CHEMBL318018) Show SMILES Cc1sc2ccc(Cl)cc2c1S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1 Show InChI InChI=1S/C22H21ClN4O2S2/c1-14-22(18-12-15(23)2-5-21(18)30-14)31(28,29)26-16-3-4-19-17(13-16)20(6-7-25-19)27-10-8-24-9-11-27/h2-7,12-13,24,26H,8-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity against human 5-hydroxytryptamine 6 receptor				Bioorg Med Chem Lett 11: 2843-6 (2001) BindingDB Entry DOI: 10.7270/Q2TB192H
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50219083 (CHEMBL316081) Show SMILES CN1CCN(CC1)c1ccnc2ccc(NS(=O)(=O)c3sc4ccc(Cl)cc4c3C)cc12 Show InChI InChI=1S/C23H23ClN4O2S2/c1-15-18-13-16(24)3-6-22(18)31-23(15)32(29,30)26-17-4-5-20-19(14-17)21(7-8-25-20)28-11-9-27(2)10-12-28/h3-8,13-14,26H,9-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity against human 5-hydroxytryptamine 6 receptor				Bioorg Med Chem Lett 11: 2843-6 (2001) BindingDB Entry DOI: 10.7270/Q2TB192H
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50412939 (CHEMBL479463 | GSK-256471) Show SMILES CN(Cc1c(nc2ccccc2c1C(=O)N[C@@H](C1CC1)c1cccc(F)c1)-c1ccccc1)S(C)(=O)=O |r| Show InChI InChI=1S/C29H28FN3O3S/c1-33(37(2,35)36)18-24-26(29(34)32-27(20-15-16-20)21-11-8-12-22(30)17-21)23-13-6-7-14-25(23)31-28(24)19-9-4-3-5-10-19/h3-14,17,20,27H,15-16,18H2,1-2H3,(H,32,34)/t27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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
Neuroscience CEDD GlaxoSmithKline Research& Development Curated by ChEMBL					Assay Description Binding affinity to NK3 receptor				Bioorg Med Chem Lett 19: 837-40 (2009) Article DOI: 10.1016/j.bmcl.2008.12.005 BindingDB Entry DOI: 10.7270/Q20K29S8
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50219083 (CHEMBL316081) Show SMILES CN1CCN(CC1)c1ccnc2ccc(NS(=O)(=O)c3sc4ccc(Cl)cc4c3C)cc12 Show InChI InChI=1S/C23H23ClN4O2S2/c1-15-18-13-16(24)3-6-22(18)31-23(15)32(29,30)26-17-4-5-20-19(14-17)21(7-8-25-20)28-11-9-27(2)10-12-28/h3-8,13-14,26H,9-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity to human cloned 5-HT6 receptor in HeLa cells using [3H]- LSD as radioligand				Bioorg Med Chem Lett 11: 2843-6 (2001) BindingDB Entry DOI: 10.7270/Q2TB192H
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50219089 (CHEMBL318018) Show SMILES Cc1sc2ccc(Cl)cc2c1S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1 Show InChI InChI=1S/C22H21ClN4O2S2/c1-14-22(18-12-15(23)2-5-21(18)30-14)31(28,29)26-16-3-4-19-17(13-16)20(6-7-25-19)27-10-8-24-9-11-27/h2-7,12-13,24,26H,8-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity to human cloned 5-HT6 receptor in HeLa cells using [3H]- LSD as radioligand				Bioorg Med Chem Lett 11: 2843-6 (2001) BindingDB Entry DOI: 10.7270/Q2TB192H
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50219084 (CHEMBL97596) Show SMILES Clc1cccc2cc(ccc12)S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1 Show InChI InChI=1S/C23H21ClN4O2S/c24-21-3-1-2-16-14-18(5-6-19(16)21)31(29,30)27-17-4-7-22-20(15-17)23(8-9-26-22)28-12-10-25-11-13-28/h1-9,14-15,25,27H,10-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity to human cloned 5-HT6 receptor in HeLa cells using [3H]- LSD as radioligand				Bioorg Med Chem Lett 11: 2843-6 (2001) BindingDB Entry DOI: 10.7270/Q2TB192H
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50412940 (CHEMBL519770) Show SMILES CC[C@H](NC(=O)c1c(CN(C)S(C)(=O)=O)c(nc2ccccc12)-c1cccc(F)c1)c1ccccc1 |r| Show InChI InChI=1S/C28H28FN3O3S/c1-4-24(19-11-6-5-7-12-19)31-28(33)26-22-15-8-9-16-25(22)30-27(20-13-10-14-21(29)17-20)23(26)18-32(2)36(3,34)35/h5-17,24H,4,18H2,1-3H3,(H,31,33)/t24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neuroscience CEDD GlaxoSmithKline Research& Development Curated by ChEMBL					Assay Description Binding affinity to NK3 receptor				Bioorg Med Chem Lett 19: 837-40 (2009) Article DOI: 10.1016/j.bmcl.2008.12.005 BindingDB Entry DOI: 10.7270/Q20K29S8
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50412941 (CHEMBL521416) Show SMILES CC[C@H](NC(=O)c1c(CN(C)S(C)(=O)=O)c(nc2ccccc12)-c1ccccc1)c1cccc(F)c1 |r| Show InChI InChI=1S/C28H28FN3O3S/c1-4-24(20-13-10-14-21(29)17-20)31-28(33)26-22-15-8-9-16-25(22)30-27(19-11-6-5-7-12-19)23(26)18-32(2)36(3,34)35/h5-17,24H,4,18H2,1-3H3,(H,31,33)/t24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neuroscience CEDD GlaxoSmithKline Research& Development Curated by ChEMBL					Assay Description Binding affinity to NK3 receptor				Bioorg Med Chem Lett 19: 837-40 (2009) Article DOI: 10.1016/j.bmcl.2008.12.005 BindingDB Entry DOI: 10.7270/Q20K29S8
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50098551 ((R)-3-(2-(2-(4-methylpiperidin-1-yl)ethyl)pyrrolid...) Show SMILES CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(O)c2)CC1 |r| Show InChI InChI=1S/C18H28N2O3S/c1-15-7-11-19(12-8-15)13-9-16-4-3-10-20(16)24(22,23)18-6-2-5-17(21)14-18/h2,5-6,14-16,21H,3-4,7-13H2,1H3/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by PDSP Ki Database									J Med Chem 43: 342-5 (2000) Article DOI: 10.1021/jm991151j BindingDB Entry DOI: 10.7270/Q28S4NGP
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM50217831 (CHEMBL430706) Show SMILES O=S(=O)(N1CCC[C@@H]1CCN1CCC(CC1)c1c[nH]c2ccccc12)c1ccc2cc[nH]c2c1 |r| Show InChI InChI=1S/C27H32N4O2S/c32-34(33,23-8-7-21-9-13-28-27(21)18-23)31-14-3-4-22(31)12-17-30-15-10-20(11-16-30)25-19-29-26-6-2-1-5-24(25)26/h1-2,5-9,13,18-20,22,28-29H,3-4,10-12,14-17H2/t22-/m1/s1	UniProtKB/SwissProt 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
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity towards Alpha-1B adrenergic receptor				Bioorg Med Chem Lett 12: 3341-4 (2002) BindingDB Entry DOI: 10.7270/Q2FT8P7C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50219086 (CHEMBL98965) Show SMILES CCc1c(sc2ccc(Cl)cc12)S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1 Show InChI InChI=1S/C23H23ClN4O2S2/c1-2-17-18-13-15(24)3-6-22(18)31-23(17)32(29,30)27-16-4-5-20-19(14-16)21(7-8-26-20)28-11-9-25-10-12-28/h3-8,13-14,25,27H,2,9-12H2,1H3	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
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity to human cloned 5-HT6 receptor in HeLa cells using [3H]- LSD as radioligand				Bioorg Med Chem Lett 11: 2843-6 (2001) BindingDB Entry DOI: 10.7270/Q2TB192H
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50219082 (CHEMBL95823) Show SMILES C[C@H]1CN(CCN1)c1ccnc2ccc(NS(=O)(=O)c3sc4ccc(Cl)cc4c3C)cc12 Show InChI InChI=1S/C23H23ClN4O2S2/c1-14-13-28(10-9-25-14)21-7-8-26-20-5-4-17(12-19(20)21)27-32(29,30)23-15(2)18-11-16(24)3-6-22(18)31-23/h3-8,11-12,14,25,27H,9-10,13H2,1-2H3/t14-/m0/s1	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
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity against human 5-hydroxytryptamine 6 receptor				Bioorg Med Chem Lett 11: 2843-6 (2001) BindingDB Entry DOI: 10.7270/Q2TB192H
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50219085 (CHEMBL97211) Show SMILES Cc1c(sc2ccc(Cl)cc12)S(=O)(=O)Nc1ccc2nc(C)cc(N3CCNCC3)c2c1 Show InChI InChI=1S/C23H23ClN4O2S2/c1-14-11-21(28-9-7-25-8-10-28)19-13-17(4-5-20(19)26-14)27-32(29,30)23-15(2)18-12-16(24)3-6-22(18)31-23/h3-6,11-13,25,27H,7-10H2,1-2H3	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
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity against human 5-hydroxytryptamine 6 receptor				Bioorg Med Chem Lett 11: 2843-6 (2001) BindingDB Entry DOI: 10.7270/Q2TB192H
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM21342 ((4R,7R)-N,N-diethyl-6-methyl-6,11-diazatetracyclo[...) Show SMILES [H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)C(=O)N(CC)CC)c34 |c:12| Show InChI InChI=1S/C20H25N3O/c1-4-23(5-2)20(24)14-9-16-15-7-6-8-17-19(15)13(11-21-17)10-18(16)22(3)12-14/h6-9,11,14,18,21H,4-5,10,12H2,1-3H3/t14-,18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 1A human cloned receptors in HEK293 cells using [3H]8-OH-DPAT as radioligand				J Med Chem 46: 5117-20 (2003) Article DOI: 10.1021/jm0341204 BindingDB Entry DOI: 10.7270/Q2Q242ZQ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50219082 (CHEMBL95823) Show SMILES C[C@H]1CN(CCN1)c1ccnc2ccc(NS(=O)(=O)c3sc4ccc(Cl)cc4c3C)cc12 Show InChI InChI=1S/C23H23ClN4O2S2/c1-14-13-28(10-9-25-14)21-7-8-26-20-5-4-17(12-19(20)21)27-32(29,30)23-15(2)18-11-16(24)3-6-22(18)31-23/h3-8,11-12,14,25,27H,9-10,13H2,1-2H3/t14-/m0/s1	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
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity to human cloned 5-HT6 receptor in HeLa cells using [3H]- LSD as radioligand				Bioorg Med Chem Lett 11: 2843-6 (2001) BindingDB Entry DOI: 10.7270/Q2TB192H
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50219086 (CHEMBL98965) Show SMILES CCc1c(sc2ccc(Cl)cc12)S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1 Show InChI InChI=1S/C23H23ClN4O2S2/c1-2-17-18-13-15(24)3-6-22(18)31-23(17)32(29,30)27-16-4-5-20-19(14-16)21(7-8-26-20)28-11-9-25-10-12-28/h3-8,13-14,25,27H,2,9-12H2,1H3	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
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity against human 5-hydroxytryptamine 6 receptor				Bioorg Med Chem Lett 11: 2843-6 (2001) BindingDB Entry DOI: 10.7270/Q2TB192H
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM21392 (3-(2-aminoethyl)-1H-indole-5-carboxamide | 5-CT | ...) Show SMILES NCCc1c[nH]c2ccc(cc12)C(N)=O Show InChI InChI=1S/C11H13N3O/c12-4-3-8-6-14-10-2-1-7(11(13)15)5-9(8)10/h1-2,5-6,14H,3-4,12H2,(H2,13,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Binding affinity against human 5-hydroxytryptamine 1B receptor cloned receptors in CHO cells				J Med Chem 46: 5117-20 (2003) Article DOI: 10.1021/jm0341204 BindingDB Entry DOI: 10.7270/Q2Q242ZQ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50474976 (CHEMBL180557) Show SMILES O=C1COc2ccc(CC3CCN(CCOc4cccc5ncccc45)CC3)cc2N1 Show InChI InChI=1S/C25H27N3O3/c29-25-17-31-24-7-6-19(16-22(24)27-25)15-18-8-11-28(12-9-18)13-14-30-23-5-1-4-21-20(23)3-2-10-26-21/h1-7,10,16,18H,8-9,11-15,17H2,(H,27,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Mean negative logarithim of binding affinity was measured for the human 5-hydroxytryptamine 1A receptor; n>/=3				Bioorg Med Chem Lett 15: 737-41 (2005) Article DOI: 10.1016/j.bmcl.2004.11.030 BindingDB Entry DOI: 10.7270/Q2RR220M
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50474983 (CHEMBL183034) Show SMILES O=C1COc2ccc(OCC3CCN(CCOc4cccc5ncccc45)C3)cc2N1 Show InChI InChI=1S/C24H25N3O4/c28-24-16-31-23-7-6-18(13-21(23)26-24)30-15-17-8-10-27(14-17)11-12-29-22-5-1-4-20-19(22)3-2-9-25-20/h1-7,9,13,17H,8,10-12,14-16H2,(H,26,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Mean negative logarithim of binding affinity was measured for the human 5-hydroxytryptamine 1A receptor; n>/=3				Bioorg Med Chem Lett 15: 737-41 (2005) Article DOI: 10.1016/j.bmcl.2004.11.030 BindingDB Entry DOI: 10.7270/Q2RR220M
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50098551 ((R)-3-(2-(2-(4-methylpiperidin-1-yl)ethyl)pyrrolid...) Show SMILES CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(O)c2)CC1 |r| Show InChI InChI=1S/C18H28N2O3S/c1-15-7-11-19(12-8-15)13-9-16-4-3-10-20(16)24(22,23)18-6-2-5-17(21)14-18/h2,5-6,14-16,21H,3-4,7-13H2,1H3/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity for human cloned 5-hydroxytryptamine 7 receptor in HEK 293 using [3H]5-CT as a radioligand				Bioorg Med Chem Lett 12: 3341-4 (2002) BindingDB Entry DOI: 10.7270/Q2FT8P7C
					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	PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description The compound was tested for the binding affinity towards human cloned 5-hydroxytryptamine 6 receptor in HeLa cells, using [3H]LSD as radioligand; n=3				Bioorg Med Chem Lett 12: 1357-60 (2002) BindingDB Entry DOI: 10.7270/Q2NK3H7V
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50219085 (CHEMBL97211) Show SMILES Cc1c(sc2ccc(Cl)cc12)S(=O)(=O)Nc1ccc2nc(C)cc(N3CCNCC3)c2c1 Show InChI InChI=1S/C23H23ClN4O2S2/c1-14-11-21(28-9-7-25-8-10-28)19-13-17(4-5-20(19)26-14)27-32(29,30)23-15(2)18-12-16(24)3-6-22(18)31-23/h3-6,11-13,25,27H,7-10H2,1-2H3	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
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity to human cloned 5-HT6 receptor in HeLa cells using [3H]- LSD as radioligand				Bioorg Med Chem Lett 11: 2843-6 (2001) BindingDB Entry DOI: 10.7270/Q2TB192H
					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	PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity against human 5-hydroxytryptamine 6 receptor				Bioorg Med Chem Lett 11: 2843-6 (2001) BindingDB Entry DOI: 10.7270/Q2TB192H
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50219090 (CHEMBL95388) Show SMILES Cc1cc(c(C)cc1Cl)S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1 Show InChI InChI=1S/C21H23ClN4O2S/c1-14-12-21(15(2)11-18(14)22)29(27,28)25-16-3-4-19-17(13-16)20(5-6-24-19)26-9-7-23-8-10-26/h3-6,11-13,23,25H,7-10H2,1-2H3	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
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity against human 5-hydroxytryptamine 6 receptor				Bioorg Med Chem Lett 11: 2843-6 (2001) BindingDB Entry DOI: 10.7270/Q2TB192H
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50412942 (CHEMBL480249) Show SMILES CN(Cc1c(nc2ccccc2c1C(=O)N[C@@H](C1CC1)c1ccccc1)-c1ccccc1)S(C)(=O)=O |r| Show InChI InChI=1S/C29H29N3O3S/c1-32(36(2,34)35)19-24-26(29(33)31-27(22-17-18-22)20-11-5-3-6-12-20)23-15-9-10-16-25(23)30-28(24)21-13-7-4-8-14-21/h3-16,22,27H,17-19H2,1-2H3,(H,31,33)/t27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neuroscience CEDD GlaxoSmithKline Research& Development Curated by ChEMBL					Assay Description Binding affinity to NK3 receptor				Bioorg Med Chem Lett 19: 837-40 (2009) Article DOI: 10.1016/j.bmcl.2008.12.005 BindingDB Entry DOI: 10.7270/Q20K29S8
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50474975 (CHEMBL3706797) Show SMILES O=C1COc2ccc(OC3CCN(CCOc4cccc5[nH]c(cc45)C#N)CC3)cc2N1 Show InChI InChI=1S/C24H24N4O4/c25-14-16-12-19-20(26-16)2-1-3-22(19)30-11-10-28-8-6-17(7-9-28)32-18-4-5-23-21(13-18)27-24(29)15-31-23/h1-5,12-13,17,26H,6-11,15H2,(H,27,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Mean negative logarithim of binding affinity was measured for the human 5-hydroxytryptamine 1A receptor; n>/=3				Bioorg Med Chem Lett 15: 737-41 (2005) Article DOI: 10.1016/j.bmcl.2004.11.030 BindingDB Entry DOI: 10.7270/Q2RR220M
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 547 total )  |  Next  |  Last  >>

Jump to: