Compile Data Set for Download or QSAR

Found 326 hits with Last Name = 'roa' and Initial = 'am'   

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 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 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 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))	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 1A (Homo sapiens (Human))	BDBM50073622 (2-Dipropylamino-1,2,3,4-tetrahydro-naphthalene-1,8...) Show SMILES NCCCC1(CCCN)CCc2cccc(O)c2C1 Show InChI InChI=1S/C16H26N2O/c17-10-2-7-16(8-3-11-18)9-6-13-4-1-5-15(19)14(13)12-16/h1,4-5,19H,2-3,6-12,17-18H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2	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				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 7 (Homo sapiens (Human))	BDBM10755 (14C-5-hydroxy tryptamine creatinine disulfate | 2-...) Show SMILES NCCc1c[nH]c2ccc(O)cc12 Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	3.20	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
5-hydroxytryptamine receptor 1B (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 Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.20	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 cloned human 5-hydroxytryptamine 1B receptor in CHO cells using [3H]5-CT 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 2A (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	3.20	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 2A receptor human cloned receptors in HEK 293 cells using [3H]ketanserin 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				3D Structure (crystal)
D(2) dopamine receptor (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 Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.20	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 Dopamine receptor D2 in CHO cells using [125I]iodosulpiride				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 7 (Homo sapiens (Human))	BDBM50073622 (2-Dipropylamino-1,2,3,4-tetrahydro-naphthalene-1,8...) Show SMILES NCCCC1(CCCN)CCc2cccc(O)c2C1 Show InChI InChI=1S/C16H26N2O/c17-10-2-7-16(8-3-11-18)9-6-13-4-1-5-15(19)14(13)12-16/h1,4-5,19H,2-3,6-12,17-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.20	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
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM10755 (14C-5-hydroxy tryptamine creatinine disulfate | 2-...) Show SMILES NCCc1c[nH]c2ccc(O)cc12 Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	4	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				3D Structure (crystal)
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM10755 (14C-5-hydroxy tryptamine creatinine disulfate | 2-...) Show SMILES NCCc1c[nH]c2ccc(O)cc12 Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	5	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 cloned human 5-hydroxytryptamine 1B receptor in CHO cells using [3H]5-CT 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 5A (Homo sapiens (Human))	BDBM50474933 (CHEMBL361256) Show SMILES CN(C)CCN(Cc1ccc(cc1)-c1ccc(CNCCc2ccccc2)cn1)C(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C34H38N4O/c1-37(2)23-24-38(34(39)20-16-28-9-5-3-6-10-28)27-30-13-17-32(18-14-30)33-19-15-31(26-36-33)25-35-22-21-29-11-7-4-8-12-29/h3-20,26,35H,21-25,27H2,1-2H3/b20-16+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5	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 human 5-hydroxytryptamine receptor 5A expressed in CHO cells using the radioligand [3H]LSD				Bioorg Med Chem Lett 15: 4014-8 (2005) Article DOI: 10.1016/j.bmcl.2005.06.024 BindingDB Entry DOI: 10.7270/Q25141Z0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (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 Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	5	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 2C receptor human cloned receptors in HEK 293 cells using [3H]mesulergine 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 7 (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 Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.30	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 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
5-hydroxytryptamine receptor 6 (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 Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	6.30	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 6 human cloned receptors in HeLa 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 5A (Homo sapiens (Human))	BDBM50474937 (CHEMBL191460) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CN(C)CCN(Cc1ccc(cc1)-c1ccc(CNCCc2ccccc2)cc1)C(=O)CCC1CCCC1 Show InChI InChI=1S/C34H45N3O/c1-36(2)24-25-37(34(38)21-16-28-10-6-7-11-28)27-31-14-19-33(20-15-31)32-17-12-30(13-18-32)26-35-23-22-29-8-4-3-5-9-29/h3-5,8-9,12-15,17-20,28,35H,6-7,10-11,16,21-27H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.30	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 human 5-hydroxytryptamine receptor 5A expressed in CHO cells using the radioligand [3H]LSD				Bioorg Med Chem Lett 15: 4014-8 (2005) Article DOI: 10.1016/j.bmcl.2005.06.024 BindingDB Entry DOI: 10.7270/Q25141Z0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (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 Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	6.30	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 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
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM50474934 (CHEMBL190382) Show SMILES CN(C)CCN(Cc1ccc(cc1)-c1ccc(CNCCc2ccccc2)cn1)C(=O)CCC1CCCC1 Show InChI InChI=1S/C33H44N4O/c1-36(2)22-23-37(33(38)19-15-27-10-6-7-11-27)26-29-12-16-31(17-13-29)32-18-14-30(25-35-32)24-34-21-20-28-8-4-3-5-9-28/h3-5,8-9,12-14,16-18,25,27,34H,6-7,10-11,15,19-24,26H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity towards human 5-hydroxytryptamine receptor 5A expressed in CHO cells using the radioligand [3H]LSD				Bioorg Med Chem Lett 15: 4014-8 (2005) Article DOI: 10.1016/j.bmcl.2005.06.024 BindingDB Entry DOI: 10.7270/Q25141Z0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	16	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 2A receptor human cloned receptorswithouteffect in HEK 293 cells using [3H]ketanserin 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 2C (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 Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	16	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 2C receptor human cloned receptorswithouteffect in HEK 293 cells using [3H]mesulergine 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 5A (Homo sapiens (Human))	BDBM50474949 (CHEMBL187621) Show SMILES CN(C)CCN(Cc1ccc(nc1)-c1ccc(CNCCc2ccccc2)cc1)C(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C34H38N4O/c1-37(2)23-24-38(34(39)20-16-28-9-5-3-6-10-28)27-31-15-19-33(36-26-31)32-17-13-30(14-18-32)25-35-22-21-29-11-7-4-8-12-29/h3-20,26,35H,21-25,27H2,1-2H3/b20-16+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	25	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 human 5-hydroxytryptamine receptor 5A expressed in CHO cells using the radioligand [3H]LSD				Bioorg Med Chem Lett 15: 4014-8 (2005) Article DOI: 10.1016/j.bmcl.2005.06.024 BindingDB Entry DOI: 10.7270/Q25141Z0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM50474942 (CHEMBL188486) Show SMILES OC(=O)C(F)(F)F.CN(C)CCN(Cc1ccc(cc1)-c1ccc(CNCCc2ccccc2)cc1)C(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C35H39N3O/c1-37(2)25-26-38(35(39)22-17-29-9-5-3-6-10-29)28-32-15-20-34(21-16-32)33-18-13-31(14-19-33)27-36-24-23-30-11-7-4-8-12-30/h3-22,36H,23-28H2,1-2H3/b22-17+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	25	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 human 5-hydroxytryptamine receptor 5A expressed in CHO cells using the radioligand [3H]LSD				Bioorg Med Chem Lett 15: 4014-8 (2005) Article DOI: 10.1016/j.bmcl.2005.06.024 BindingDB Entry DOI: 10.7270/Q25141Z0
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50474944 (CHEMBL535371) Show SMILES Cl.Cl.CN(C)CCN(Cc1ccc(cc1)-c1ccc(CNCCc2ccccc2)cc1)C(=O)CCC1CCCC1 Show InChI InChI=1S/C34H45N3O/c1-36(2)24-25-37(34(38)21-16-28-10-6-7-11-28)27-31-14-19-33(20-15-31)32-17-12-30(13-18-32)26-35-23-22-29-8-4-3-5-9-29/h3-5,8-9,12-15,17-20,28,35H,6-7,10-11,16,21-27H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	25	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 human serotonin transporter expressed in LLCPK cells using the radioligand [3H]citalopram				Bioorg Med Chem Lett 15: 4014-8 (2005) Article DOI: 10.1016/j.bmcl.2005.06.024 BindingDB Entry DOI: 10.7270/Q25141Z0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM50474932 (CHEMBL185676) Show SMILES OC(=O)C(F)(F)F.O=C(CCC1CCCC1)N(CC1CCCCN1)Cc1ccc(cc1)-c1ccc(CNCCc2ccccc2)cc1 Show InChI InChI=1S/C36H47N3O.C2HF3O2/c40-36(22-17-29-10-4-5-11-29)39(28-35-12-6-7-24-38-35)27-32-15-20-34(21-16-32)33-18-13-31(14-19-33)26-37-25-23-30-8-2-1-3-9-30;3-2(4,5)1(6)7/h1-3,8-9,13-16,18-21,29,35,37-38H,4-7,10-12,17,22-28H2;(H,6,7)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	25	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 human 5-hydroxytryptamine receptor 5A expressed in CHO cells using the radioligand [3H]LSD				Bioorg Med Chem Lett 15: 4014-8 (2005) Article DOI: 10.1016/j.bmcl.2005.06.024 BindingDB Entry DOI: 10.7270/Q25141Z0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM50474947 (CHEMBL186849) Show SMILES OC(=O)C(F)(F)F.CN(C)CCN(Cc1ccc(cc1)-c1ccc(CNCCc2ccccn2)cc1)C(=O)CCC1CCCC1 Show InChI InChI=1S/C33H44N4O/c1-36(2)23-24-37(33(38)19-14-27-7-3-4-8-27)26-29-12-17-31(18-13-29)30-15-10-28(11-16-30)25-34-22-20-32-9-5-6-21-35-32/h5-6,9-13,15-18,21,27,34H,3-4,7-8,14,19-20,22-26H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	32	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 human 5-hydroxytryptamine receptor 5A expressed in CHO cells using the radioligand [3H]LSD				Bioorg Med Chem Lett 15: 4014-8 (2005) Article DOI: 10.1016/j.bmcl.2005.06.024 BindingDB Entry DOI: 10.7270/Q25141Z0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM50474940 (CHEMBL189689) Show SMILES CN(C)CCN(Cc1ccc(nc1)-c1ccc(CNCCc2ccccc2)cc1)C(=O)CCC1CCCC1 Show InChI InChI=1S/C33H44N4O/c1-36(2)22-23-37(33(38)19-15-27-10-6-7-11-27)26-30-14-18-32(35-25-30)31-16-12-29(13-17-31)24-34-21-20-28-8-4-3-5-9-28/h3-5,8-9,12-14,16-18,25,27,34H,6-7,10-11,15,19-24,26H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	32	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 human 5-hydroxytryptamine receptor 5A expressed in CHO cells using the radioligand [3H]LSD				Bioorg Med Chem Lett 15: 4014-8 (2005) Article DOI: 10.1016/j.bmcl.2005.06.024 BindingDB Entry DOI: 10.7270/Q25141Z0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (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 Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	50	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 6 human cloned receptors in HeLa cells using [3H]LSD 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 2C (Homo sapiens (Human))	BDBM10755 (14C-5-hydroxy tryptamine creatinine disulfate | 2-...) Show SMILES NCCc1c[nH]c2ccc(O)cc12 Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	50	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 2C receptor human cloned receptors in HEK 293 cells using [3H]mesulergine 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 5A (Homo sapiens (Human))	BDBM50474935 (CHEMBL187928) Show SMILES OC(=O)C(F)(F)F.O=C(\C=C\c1ccccc1)N(Cc1ccc(cc1)-c1ccc(CNCCc2ccccc2)cc1)Cc1cccnc1 Show InChI InChI=1S/C37H35N3O/c41-37(22-17-30-8-3-1-4-9-30)40(29-34-12-7-24-38-27-34)28-33-15-20-36(21-16-33)35-18-13-32(14-19-35)26-39-25-23-31-10-5-2-6-11-31/h1-22,24,27,39H,23,25-26,28-29H2/b22-17+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	50	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 human 5-hydroxytryptamine receptor 5A expressed in CHO cells using the radioligand [3H]LSD				Bioorg Med Chem Lett 15: 4014-8 (2005) Article DOI: 10.1016/j.bmcl.2005.06.024 BindingDB Entry DOI: 10.7270/Q25141Z0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM50474941 (CHEMBL191583) Show SMILES OC(=O)C(F)(F)F.CN(C)CCN(Cc1ccc(cc1)-c1ccc(CNCCc2ccccc2)cc1)C(=O)C1CC1c1ccccc1 Show InChI InChI=1S/C36H41N3O.C2HF3O2/c1-38(2)23-24-39(36(40)35-25-34(35)33-11-7-4-8-12-33)27-30-15-19-32(20-16-30)31-17-13-29(14-18-31)26-37-22-21-28-9-5-3-6-10-28;3-2(4,5)1(6)7/h3-20,34-35,37H,21-27H2,1-2H3;(H,6,7)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	79	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 human 5-hydroxytryptamine receptor 5A expressed in CHO cells using the radioligand [3H]LSD				Bioorg Med Chem Lett 15: 4014-8 (2005) Article DOI: 10.1016/j.bmcl.2005.06.024 BindingDB Entry DOI: 10.7270/Q25141Z0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM50474948 (CHEMBL363678) Show SMILES OC(=O)C(F)(F)F.CN(C)CCN(Cc1ccc(cc1)-c1ccc(CNCCOc2ccccc2)cc1)C(=O)CCC1CCCC1 Show InChI InChI=1S/C34H45N3O2/c1-36(2)23-24-37(34(38)21-16-28-8-6-7-9-28)27-30-14-19-32(20-15-30)31-17-12-29(13-18-31)26-35-22-25-39-33-10-4-3-5-11-33/h3-5,10-15,17-20,28,35H,6-9,16,21-27H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	79	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 human 5-hydroxytryptamine receptor 5A expressed in CHO cells using the radioligand [3H]LSD				Bioorg Med Chem Lett 15: 4014-8 (2005) Article DOI: 10.1016/j.bmcl.2005.06.024 BindingDB Entry DOI: 10.7270/Q25141Z0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM10755 (14C-5-hydroxy tryptamine creatinine disulfate | 2-...) Show SMILES NCCc1c[nH]c2ccc(O)cc12 Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	126	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 6 human cloned receptors in HeLa cells using [3H]LSD 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				3D Structure (crystal)
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50073622 (2-Dipropylamino-1,2,3,4-tetrahydro-naphthalene-1,8...) Show SMILES NCCCC1(CCCN)CCc2cccc(O)c2C1 Show InChI InChI=1S/C16H26N2O/c17-10-2-7-16(8-3-11-18)9-6-13-4-1-5-15(19)14(13)12-16/h1,4-5,19H,2-3,6-12,17-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	126	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 6 human cloned receptors in HeLa cells using [3H]LSD 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 5A (Homo sapiens (Human))	BDBM50474943 (CHEMBL189262) Show SMILES C(Cc1ccccc1)NCc1ccc(cc1)-c1ccc(CNC2CCN(Cc3ccccc3)CC2)cc1 Show InChI InChI=1S/C34H39N3/c1-3-7-28(8-4-1)19-22-35-25-29-11-15-32(16-12-29)33-17-13-30(14-18-33)26-36-34-20-23-37(24-21-34)27-31-9-5-2-6-10-31/h1-18,34-36H,19-27H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	126	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 human 5-hydroxytryptamine receptor 5A expressed in CHO cells using the radioligand [3H]LSD				Bioorg Med Chem Lett 15: 4014-8 (2005) Article DOI: 10.1016/j.bmcl.2005.06.024 BindingDB Entry DOI: 10.7270/Q25141Z0
					More data for this Ligand-Target Pair
D(2) dopamine receptor (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 Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	126	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 Dopamine receptor D2 in CHO cells using [125I]iodosulpiride				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 1D (Homo sapiens (Human))	BDBM50474942 (CHEMBL188486) Show SMILES OC(=O)C(F)(F)F.CN(C)CCN(Cc1ccc(cc1)-c1ccc(CNCCc2ccccc2)cc1)C(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C35H39N3O/c1-37(2)25-26-38(35(39)22-17-29-9-5-3-6-10-29)28-32-15-20-34(21-16-32)33-18-13-31(14-19-33)27-36-24-23-30-11-7-4-8-12-30/h3-22,36H,23-28H2,1-2H3/b22-17+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	158	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 human 5-hydroxytryptamine receptor 1D expressed in CHO cells using the radioligand [3H]5-HT				Bioorg Med Chem Lett 15: 4014-8 (2005) Article DOI: 10.1016/j.bmcl.2005.06.024 BindingDB Entry DOI: 10.7270/Q25141Z0
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM50474942 (CHEMBL188486) Show SMILES OC(=O)C(F)(F)F.CN(C)CCN(Cc1ccc(cc1)-c1ccc(CNCCc2ccccc2)cc1)C(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C35H39N3O/c1-37(2)25-26-38(35(39)22-17-29-9-5-3-6-10-29)28-32-15-20-34(21-16-32)33-18-13-31(14-19-33)27-36-24-23-30-11-7-4-8-12-30/h3-22,36H,23-28H2,1-2H3/b22-17+	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	200	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 human alpha-1B-adrenergic receptor expressed in CHO cells using the radioligand [3H]prazosin				Bioorg Med Chem Lett 15: 4014-8 (2005) Article DOI: 10.1016/j.bmcl.2005.06.024 BindingDB Entry DOI: 10.7270/Q25141Z0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM50474953 (CHEMBL99071) Show SMILES OC(=O)C(F)(F)F.O=C(N(Cc1ccc(cc1)-c1ccc(CNCCc2ccccc2)cc1)Cc1cccnc1)c1ccc2OCOc2c1 Show InChI InChI=1S/C36H33N3O3/c40-36(33-16-17-34-35(21-33)42-26-41-34)39(25-30-7-4-19-37-23-30)24-29-10-14-32(15-11-29)31-12-8-28(9-13-31)22-38-20-18-27-5-2-1-3-6-27/h1-17,19,21,23,38H,18,20,22,24-26H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	200	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 human 5-hydroxytryptamine receptor 5A expressed in CHO cells using the radioligand [3H]LSD				Bioorg Med Chem Lett 15: 4014-8 (2005) Article DOI: 10.1016/j.bmcl.2005.06.024 BindingDB Entry DOI: 10.7270/Q25141Z0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM50474950 (CHEMBL187415) Show SMILES C(Cc1ccccc1)NCc1ccc(cc1)-c1cccc(CNC2CCN(Cc3ccccc3)CC2)c1 Show InChI InChI=1S/C34H39N3/c1-3-8-28(9-4-1)18-21-35-25-29-14-16-32(17-15-29)33-13-7-12-31(24-33)26-36-34-19-22-37(23-20-34)27-30-10-5-2-6-11-30/h1-17,24,34-36H,18-23,25-27H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	200	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 human 5-hydroxytryptamine receptor 5A expressed in CHO cells using the radioligand [3H]LSD				Bioorg Med Chem Lett 15: 4014-8 (2005) Article DOI: 10.1016/j.bmcl.2005.06.024 BindingDB Entry DOI: 10.7270/Q25141Z0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM50474945 (CHEMBL188440) Show SMILES OC(=O)C(F)(F)F.CN(C)CCN(Cc1ccc(cc1)-c1ccc(CNCCc2ccccc2)cc1)S(=O)(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C34H39N3O2S/c1-36(2)24-25-37(40(38,39)26-22-30-11-7-4-8-12-30)28-32-15-19-34(20-16-32)33-17-13-31(14-18-33)27-35-23-21-29-9-5-3-6-10-29/h3-20,22,26,35H,21,23-25,27-28H2,1-2H3/b26-22+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	251	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 human 5-hydroxytryptamine receptor 5A expressed in CHO cells using the radioligand [3H]LSD				Bioorg Med Chem Lett 15: 4014-8 (2005) Article DOI: 10.1016/j.bmcl.2005.06.024 BindingDB Entry DOI: 10.7270/Q25141Z0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM50474939 (CHEMBL365422) Show SMILES OC(=O)C(F)(F)F.CN(C)CCN(Cc1ccc(cc1)-c1ccc(CNC2Cc3ccccc3C2)cc1)C(=O)CCC1CCCC1 Show InChI InChI=1S/C35H45N3O/c1-37(2)21-22-38(35(39)20-15-27-7-3-4-8-27)26-29-13-18-31(19-14-29)30-16-11-28(12-17-30)25-36-34-23-32-9-5-6-10-33(32)24-34/h5-6,9-14,16-19,27,34,36H,3-4,7-8,15,20-26H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	251	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 human 5-hydroxytryptamine receptor 5A expressed in CHO cells using the radioligand [3H]LSD				Bioorg Med Chem Lett 15: 4014-8 (2005) Article DOI: 10.1016/j.bmcl.2005.06.024 BindingDB Entry DOI: 10.7270/Q25141Z0
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM50474937 (CHEMBL191460) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CN(C)CCN(Cc1ccc(cc1)-c1ccc(CNCCc2ccccc2)cc1)C(=O)CCC1CCCC1 Show InChI InChI=1S/C34H45N3O/c1-36(2)24-25-37(34(38)21-16-28-10-6-7-11-28)27-31-14-19-33(20-15-31)32-17-12-30(13-18-32)26-35-23-22-29-8-4-3-5-9-29/h3-5,8-9,12-15,17-20,28,35H,6-7,10-11,16,21-27H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	316	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 human alpha-1B-adrenergic receptor expressed in CHO cells using the radioligand [3H]prazosin				Bioorg Med Chem Lett 15: 4014-8 (2005) Article DOI: 10.1016/j.bmcl.2005.06.024 BindingDB Entry DOI: 10.7270/Q25141Z0
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM50474935 (CHEMBL187928) Show SMILES OC(=O)C(F)(F)F.O=C(\C=C\c1ccccc1)N(Cc1ccc(cc1)-c1ccc(CNCCc2ccccc2)cc1)Cc1cccnc1 Show InChI InChI=1S/C37H35N3O/c41-37(22-17-30-8-3-1-4-9-30)40(29-34-12-7-24-38-27-34)28-33-15-20-36(21-16-33)35-18-13-32(14-19-35)26-39-25-23-31-10-5-2-6-11-31/h1-22,24,27,39H,23,25-26,28-29H2/b22-17+	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	316	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 human alpha-1B-adrenergic receptor expressed in CHO cells using the radioligand [3H]prazosin				Bioorg Med Chem Lett 15: 4014-8 (2005) Article DOI: 10.1016/j.bmcl.2005.06.024 BindingDB Entry DOI: 10.7270/Q25141Z0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50474937 (CHEMBL191460) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CN(C)CCN(Cc1ccc(cc1)-c1ccc(CNCCc2ccccc2)cc1)C(=O)CCC1CCCC1 Show InChI InChI=1S/C34H45N3O/c1-36(2)24-25-37(34(38)21-16-28-10-6-7-11-28)27-31-14-19-33(20-15-31)32-17-12-30(13-18-32)26-35-23-22-29-8-4-3-5-9-29/h3-5,8-9,12-15,17-20,28,35H,6-7,10-11,16,21-27H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	316	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 human 5-hydroxytryptamine receptor 1B expressed in CHO cells using the radioligand [3H]5-HT				Bioorg Med Chem Lett 15: 4014-8 (2005) Article DOI: 10.1016/j.bmcl.2005.06.024 BindingDB Entry DOI: 10.7270/Q25141Z0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50073622 (2-Dipropylamino-1,2,3,4-tetrahydro-naphthalene-1,8...) Show SMILES NCCCC1(CCCN)CCc2cccc(O)c2C1 Show InChI InChI=1S/C16H26N2O/c17-10-2-7-16(8-3-11-18)9-6-13-4-1-5-15(19)14(13)12-16/h1,4-5,19H,2-3,6-12,17-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	316	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 using [3H]5-CT 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 2A (Homo sapiens (Human))	BDBM50474942 (CHEMBL188486) Show SMILES OC(=O)C(F)(F)F.CN(C)CCN(Cc1ccc(cc1)-c1ccc(CNCCc2ccccc2)cc1)C(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C35H39N3O/c1-37(2)25-26-38(35(39)22-17-29-9-5-3-6-10-29)28-32-15-20-34(21-16-32)33-18-13-31(14-19-33)27-36-24-23-30-11-7-4-8-12-30/h3-22,36H,23-28H2,1-2H3/b22-17+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	398	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 human 5-hydroxytryptamine receptor 2A expressed in HEK 293 cells using the radioligand [3H]ketanserin				Bioorg Med Chem Lett 15: 4014-8 (2005) Article DOI: 10.1016/j.bmcl.2005.06.024 BindingDB Entry DOI: 10.7270/Q25141Z0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50474937 (CHEMBL191460) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CN(C)CCN(Cc1ccc(cc1)-c1ccc(CNCCc2ccccc2)cc1)C(=O)CCC1CCCC1 Show InChI InChI=1S/C34H45N3O/c1-36(2)24-25-37(34(38)21-16-28-10-6-7-11-28)27-31-14-19-33(20-15-31)32-17-12-30(13-18-32)26-35-23-22-29-8-4-3-5-9-29/h3-5,8-9,12-15,17-20,28,35H,6-7,10-11,16,21-27H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	398	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 human 5-hydroxytryptamine receptor 2C expressed in HEK 293 cells using the radioligand [3H]mesulergine				Bioorg Med Chem Lett 15: 4014-8 (2005) Article DOI: 10.1016/j.bmcl.2005.06.024 BindingDB Entry DOI: 10.7270/Q25141Z0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50474937 (CHEMBL191460) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CN(C)CCN(Cc1ccc(cc1)-c1ccc(CNCCc2ccccc2)cc1)C(=O)CCC1CCCC1 Show InChI InChI=1S/C34H45N3O/c1-36(2)24-25-37(34(38)21-16-28-10-6-7-11-28)27-31-14-19-33(20-15-31)32-17-12-30(13-18-32)26-35-23-22-29-8-4-3-5-9-29/h3-5,8-9,12-15,17-20,28,35H,6-7,10-11,16,21-27H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	398	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 human 5-hydroxytryptamine receptor 1D expressed in CHO cells using the radioligand [3H]5-HT				Bioorg Med Chem Lett 15: 4014-8 (2005) Article DOI: 10.1016/j.bmcl.2005.06.024 BindingDB Entry DOI: 10.7270/Q25141Z0
					More data for this Ligand-Target Pair

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