Compile Data Set for Download or QSAR

Found 43 hits Enz. Inhib. hit(s) with all data for entry = 50014126   

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))	BDBM50138479 ((1R,3R,5S)-8-((S)-8-Methoxy-2,3-dihydro-benzo[1,4]...) Show SMILES COc1cccc2OC[C@H](CN3[C@H]4CC[C@@H]3C[C@](O)(C4)c3cccc(c3)C(F)(F)F)Oc12 |THB:10:11:17.16.19:14.13| Show InChI InChI=1S/C24H26F3NO4/c1-30-20-6-3-7-21-22(20)32-19(14-31-21)13-28-17-8-9-18(28)12-23(29,11-17)15-4-2-5-16(10-15)24(25,26)27/h2-7,10,17-19,29H,8-9,11-14H2,1H3/t17-,18+,19-,23+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.330	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]-8-OH-DPAT from human 5-hydroxytryptamine 1A receptor expressed in CHO cells				Bioorg Med Chem Lett 14: 515-8 (2003) BindingDB Entry DOI: 10.7270/Q247499J
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50138478 ((1R,3R,5S)-8-((S)-8-Methoxy-2,3-dihydro-benzo[1,4]...) Show SMILES COc1cccc2OC[C@H](CN3[C@H]4CC[C@@H]3C[C@](O)(C4)c3ccc4ccccc4c3)Oc12 |THB:10:11:17.19.16:13.14| Show InChI InChI=1S/C27H29NO4/c1-30-24-7-4-8-25-26(24)32-23(17-31-25)16-28-21-11-12-22(28)15-27(29,14-21)20-10-9-18-5-2-3-6-19(18)13-20/h2-10,13,21-23,29H,11-12,14-17H2,1H3/t21-,22+,23-,27+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.810	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]-8-OH-DPAT from human 5-hydroxytryptamine 1A receptor expressed in CHO cells				Bioorg Med Chem Lett 14: 515-8 (2003) BindingDB Entry DOI: 10.7270/Q247499J
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50138483 (8-((S)-8-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2-yl...) Show SMILES COc1cccc2OC[C@H](CN3C4CCC3C=C(C4)c3ccc4ccccc4c3)Oc12 |c:17| Show InChI InChI=1S/C27H27NO3/c1-29-25-7-4-8-26-27(25)31-24(17-30-26)16-28-22-11-12-23(28)15-21(14-22)20-10-9-18-5-2-3-6-19(18)13-20/h2-10,13-14,22-24H,11-12,15-17H2,1H3/t22?,23?,24-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory activity of compound against serotonin transport by RB5-5-HT transporter				Bioorg Med Chem Lett 14: 515-8 (2003) BindingDB Entry DOI: 10.7270/Q247499J
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50138480 ((1R,3R,5S)-8-((S)-8-Methoxy-2,3-dihydro-benzo[1,4]...) Show SMILES COc1cccc2OC[C@H](CN3[C@H]4CC[C@@H]3C[C@](O)(C4)c3ccccc3)Oc12 |THB:10:11:17.19.16:13.14| Show InChI InChI=1S/C23H27NO4/c1-26-20-8-5-9-21-22(20)28-19(15-27-21)14-24-17-10-11-18(24)13-23(25,12-17)16-6-3-2-4-7-16/h2-9,17-19,25H,10-15H2,1H3/t17-,18+,19-,23+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.5	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]-8-OH-DPAT from human 5-hydroxytryptamine 1A receptor expressed in CHO cells				Bioorg Med Chem Lett 14: 515-8 (2003) BindingDB Entry DOI: 10.7270/Q247499J
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50138474 ((1R,3R,5S)-3-Benzo[b]thiophen-3-yl-8-((S)-8-methox...) Show SMILES COc1cccc2OC[C@H](CN3[C@H]4CC[C@@H]3C[C@](O)(C4)c3csc4ccccc34)Oc12 |THB:10:11:17.16.19:13.14| Show InChI InChI=1S/C25H27NO4S/c1-28-21-6-4-7-22-24(21)30-18(14-29-22)13-26-16-9-10-17(26)12-25(27,11-16)20-15-31-23-8-3-2-5-19(20)23/h2-8,15-18,27H,9-14H2,1H3/t16-,17+,18-,25+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.60	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]8-OH-DPAT from human 5-hydroxytryptamine 1A receptor expressed in CHO cells				Bioorg Med Chem Lett 14: 515-8 (2003) BindingDB Entry DOI: 10.7270/Q247499J
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50138485 ((1R,3R,5S)-8-((S)-8-Ethoxy-2,3-dihydro-benzo[1,4]d...) Show SMILES CCOc1cccc2OC[C@H](CN3[C@H]4CC[C@@H]3C[C@](O)(C4)c3cccc(c3)C(F)(F)F)Oc12 |THB:11:12:18.17.20:15.14| Show InChI InChI=1S/C25H28F3NO4/c1-2-31-21-7-4-8-22-23(21)33-20(15-32-22)14-29-18-9-10-19(29)13-24(30,12-18)16-5-3-6-17(11-16)25(26,27)28/h3-8,11,18-20,30H,2,9-10,12-15H2,1H3/t18-,19+,20-,24+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.90	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]-8-OH-DPAT from human 5-hydroxytryptamine 1A receptor expressed in CHO cells				Bioorg Med Chem Lett 14: 515-8 (2003) BindingDB Entry DOI: 10.7270/Q247499J
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50138470 ((1R,3R,5S)-8-((S)-8-Ethoxy-2,3-dihydro-benzo[1,4]d...) Show SMILES CCOc1cccc2OC[C@H](CN3[C@H]4CC[C@@H]3C[C@](O)(C4)c3ccccc3)Oc12 |THB:11:12:18.20.17:14.15| Show InChI InChI=1S/C24H29NO4/c1-2-27-21-9-6-10-22-23(21)29-20(16-28-22)15-25-18-11-12-19(25)14-24(26,13-18)17-7-4-3-5-8-17/h3-10,18-20,26H,2,11-16H2,1H3/t18-,19+,20-,24+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.10	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]-8-OH-DPAT from human 5-hydroxytryptamine 1A receptor expressed in CHO cells				Bioorg Med Chem Lett 14: 515-8 (2003) BindingDB Entry DOI: 10.7270/Q247499J
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50138471 (3-(3,4-Dichloro-phenyl)-8-((S)-8-methoxy-2,3-dihyd...) Show SMILES COc1cccc2OC[C@H](CN3C4CCC3C=C(C4)c3ccc(Cl)c(Cl)c3)Oc12 |c:17| Show InChI InChI=1S/C23H23Cl2NO3/c1-27-21-3-2-4-22-23(21)29-18(13-28-22)12-26-16-6-7-17(26)10-15(9-16)14-5-8-19(24)20(25)11-14/h2-5,8-9,11,16-18H,6-7,10,12-13H2,1H3/t16?,17?,18-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory activity of compound against serotonin transport by RB5-5-HT transporter				Bioorg Med Chem Lett 14: 515-8 (2003) BindingDB Entry DOI: 10.7270/Q247499J
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50138473 ((1R,3R,5S)-8-((S)-8-Ethoxy-2,3-dihydro-benzo[1,4]d...) Show SMILES CCOc1cccc2OC[C@H](CN3[C@H]4CC[C@@H]3C[C@](O)(C4)c3ccc4ccccc4c3)Oc12 |THB:11:12:18.20.17:14.15| Show InChI InChI=1S/C28H31NO4/c1-2-31-25-8-5-9-26-27(25)33-24(18-32-26)17-29-22-12-13-23(29)16-28(30,15-22)21-11-10-19-6-3-4-7-20(19)14-21/h3-11,14,22-24,30H,2,12-13,15-18H2,1H3/t22-,23+,24-,28+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.90	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]-8-OH-DPAT from human 5-hydroxytryptamine 1A receptor expressed in CHO cells				Bioorg Med Chem Lett 14: 515-8 (2003) BindingDB Entry DOI: 10.7270/Q247499J
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50138476 (5-Fluoro-1-[8-((S)-8-methoxy-2,3-dihydro-benzo[1,4...) Show SMILES COc1cccc2OC[C@H](CN3C4CCC3C=C(C4)n3ccc4cc(F)ccc34)Oc12 |c:17| Show InChI InChI=1S/C25H25FN2O3/c1-29-23-3-2-4-24-25(23)31-21(15-30-24)14-28-18-6-7-19(28)13-20(12-18)27-10-9-16-11-17(26)5-8-22(16)27/h2-5,8-12,18-19,21H,6-7,13-15H2,1H3/t18?,19?,21-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	8.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory activity of compound against serotonin transport by RB5-5-HT transporter				Bioorg Med Chem Lett 14: 515-8 (2003) BindingDB Entry DOI: 10.7270/Q247499J
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50138479 ((1R,3R,5S)-8-((S)-8-Methoxy-2,3-dihydro-benzo[1,4]...) Show SMILES COc1cccc2OC[C@H](CN3[C@H]4CC[C@@H]3C[C@](O)(C4)c3cccc(c3)C(F)(F)F)Oc12 |THB:10:11:17.16.19:14.13| Show InChI InChI=1S/C24H26F3NO4/c1-30-20-6-3-7-21-22(20)32-19(14-31-21)13-28-17-8-9-18(28)12-23(29,11-17)15-4-2-5-16(10-15)24(25,26)27/h2-7,10,17-19,29H,8-9,11-14H2,1H3/t17-,18+,19-,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.90	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]prazosin from alpha-1 adrenergic receptor				Bioorg Med Chem Lett 14: 515-8 (2003) BindingDB Entry DOI: 10.7270/Q247499J
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50138485 ((1R,3R,5S)-8-((S)-8-Ethoxy-2,3-dihydro-benzo[1,4]d...) Show SMILES CCOc1cccc2OC[C@H](CN3[C@H]4CC[C@@H]3C[C@](O)(C4)c3cccc(c3)C(F)(F)F)Oc12 |THB:11:12:18.17.20:15.14| Show InChI InChI=1S/C25H28F3NO4/c1-2-31-21-7-4-8-22-23(21)33-20(15-32-22)14-29-18-9-10-19(29)13-24(30,12-18)16-5-3-6-17(11-16)25(26,27)28/h3-8,11,18-20,30H,2,9-10,12-15H2,1H3/t18-,19+,20-,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	13	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]prazosin from alpha-1 adrenergic receptor				Bioorg Med Chem Lett 14: 515-8 (2003) BindingDB Entry DOI: 10.7270/Q247499J
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50138472 ((1R,3R,5S)-3-Benzo[b]thiophen-3-yl-8-((S)-8-ethoxy...) Show SMILES CCOc1cccc2OC[C@H](CN3[C@H]4CC[C@@H]3C[C@](O)(C4)c3csc4ccccc34)Oc12 |THB:11:12:18.17.20:14.15| Show InChI InChI=1S/C26H29NO4S/c1-2-29-22-7-5-8-23-25(22)31-19(15-30-23)14-27-17-10-11-18(27)13-26(28,12-17)21-16-32-24-9-4-3-6-20(21)24/h3-9,16-19,28H,2,10-15H2,1H3/t17-,18+,19-,26+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	17	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]-8-OH-DPAT from human 5-hydroxytryptamine 1A receptor expressed in CHO cells				Bioorg Med Chem Lett 14: 515-8 (2003) BindingDB Entry DOI: 10.7270/Q247499J
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50138475 (8-((S)-8-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2-yl...) Show SMILES COc1cccc2OC[C@H](CN3C4CCC3C=C(C4)c3cccc4ccccc34)Oc12 |c:17| Show InChI InChI=1S/C27H27NO3/c1-29-25-10-5-11-26-27(25)31-22(17-30-26)16-28-20-12-13-21(28)15-19(14-20)24-9-4-7-18-6-2-3-8-23(18)24/h2-11,14,20-22H,12-13,15-17H2,1H3/t20?,21?,22-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory activity of compound against serotonin transport by RB5-5-HT transporter				Bioorg Med Chem Lett 14: 515-8 (2003) BindingDB Entry DOI: 10.7270/Q247499J
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50138470 ((1R,3R,5S)-8-((S)-8-Ethoxy-2,3-dihydro-benzo[1,4]d...) Show SMILES CCOc1cccc2OC[C@H](CN3[C@H]4CC[C@@H]3C[C@](O)(C4)c3ccccc3)Oc12 |THB:11:12:18.20.17:14.15| Show InChI InChI=1S/C24H29NO4/c1-2-27-21-9-6-10-22-23(21)29-20(16-28-22)15-25-18-11-12-19(25)14-24(26,13-18)17-7-4-3-5-8-17/h3-10,18-20,26H,2,11-16H2,1H3/t18-,19+,20-,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory activity of compound against serotonin transport by HC5-5-HT transporter				Bioorg Med Chem Lett 14: 515-8 (2003) BindingDB Entry DOI: 10.7270/Q247499J
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50138477 (8-[8-((S)-8-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2...) Show SMILES COc1cccc2OC[C@H](CN3C4CCC3C=C(C4)c3cccc4cccnc34)Oc12 |c:17| Show InChI InChI=1S/C26H26N2O3/c1-29-23-8-3-9-24-26(23)31-21(16-30-24)15-28-19-10-11-20(28)14-18(13-19)22-7-2-5-17-6-4-12-27-25(17)22/h2-9,12-13,19-21H,10-11,14-16H2,1H3/t19?,20?,21-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory activity of compound against serotonin transport by RB5-5-HT transporter				Bioorg Med Chem Lett 14: 515-8 (2003) BindingDB Entry DOI: 10.7270/Q247499J
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50138484 ((1R,3R,5S)-8-((S)-8-Methoxy-2,3-dihydro-benzo[1,4]...) Show SMILES COc1cccc2OC[C@H](CN3[C@H]4CC[C@@H]3C[C@](O)(C4)c3ccccc3OC)Oc12 |THB:10:11:17.19.16:14.13| Show InChI InChI=1S/C24H29NO5/c1-27-20-7-4-3-6-19(20)24(26)12-16-10-11-17(13-24)25(16)14-18-15-29-22-9-5-8-21(28-2)23(22)30-18/h3-9,16-18,26H,10-15H2,1-2H3/t16-,17+,18-,24+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	39	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]-8-OH-DPAT from human 5-hydroxytryptamine 1A receptor expressed in CHO cells				Bioorg Med Chem Lett 14: 515-8 (2003) BindingDB Entry DOI: 10.7270/Q247499J
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50138478 ((1R,3R,5S)-8-((S)-8-Methoxy-2,3-dihydro-benzo[1,4]...) Show SMILES COc1cccc2OC[C@H](CN3[C@H]4CC[C@@H]3C[C@](O)(C4)c3ccc4ccccc4c3)Oc12 |THB:10:11:17.19.16:13.14| Show InChI InChI=1S/C27H29NO4/c1-30-24-7-4-8-25-26(24)32-23(17-31-25)16-28-21-11-12-22(28)15-27(29,14-21)20-10-9-18-5-2-3-6-19(18)13-20/h2-10,13,21-23,29H,11-12,14-17H2,1H3/t21-,22+,23-,27+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory activity of compound against serotonin transport by RB5-5-HT transporter				Bioorg Med Chem Lett 14: 515-8 (2003) BindingDB Entry DOI: 10.7270/Q247499J
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50138481 ((1R,3R,5S)-8-((S)-8-Methoxy-2,3-dihydro-benzo[1,4]...) Show SMILES COc1cccc2OC[C@H](CN3[C@H]4CC[C@@H]3C[C@](O)(C4)c3ccccn3)Oc12 |THB:10:11:17.19.16:14.13| Show InChI InChI=1S/C22H26N2O4/c1-26-18-5-4-6-19-21(18)28-17(14-27-19)13-24-15-8-9-16(24)12-22(25,11-15)20-7-2-3-10-23-20/h2-7,10,15-17,25H,8-9,11-14H2,1H3/t15-,16+,17-,22+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	46	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]-8-OH-DPAT from human 5-hydroxytryptamine 1A receptor expressed in CHO cells				Bioorg Med Chem Lett 14: 515-8 (2003) BindingDB Entry DOI: 10.7270/Q247499J
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50138477 (8-[8-((S)-8-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2...) Show SMILES COc1cccc2OC[C@H](CN3C4CCC3C=C(C4)c3cccc4cccnc34)Oc12 |c:17| Show InChI InChI=1S/C26H26N2O3/c1-29-23-8-3-9-24-26(23)31-21(16-30-24)15-28-19-10-11-20(28)14-18(13-19)22-7-2-5-17-6-4-12-27-25(17)22/h2-9,12-13,19-21H,10-11,14-16H2,1H3/t19?,20?,21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	46	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]prazosin from alpha-1 adrenergic receptor				Bioorg Med Chem Lett 14: 515-8 (2003) BindingDB Entry DOI: 10.7270/Q247499J
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50138482 ((1R,3R,5S)-8-((S)-8-Ethoxy-2,3-dihydro-benzo[1,4]d...) Show SMILES CCOc1cccc2OC[C@H](CN3[C@H]4CC[C@@H]3C[C@](O)(C4)c3ccccn3)Oc12 |THB:11:12:18.20.17:15.14| Show InChI InChI=1S/C23H28N2O4/c1-2-27-19-6-5-7-20-22(19)29-18(15-28-20)14-25-16-9-10-17(25)13-23(26,12-16)21-8-3-4-11-24-21/h3-8,11,16-18,26H,2,9-10,12-15H2,1H3/t16-,17+,18-,23+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	62	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]-8-OH-DPAT from human 5-hydroxytryptamine 1A receptor expressed in CHO cells				Bioorg Med Chem Lett 14: 515-8 (2003) BindingDB Entry DOI: 10.7270/Q247499J
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50138476 (5-Fluoro-1-[8-((S)-8-methoxy-2,3-dihydro-benzo[1,4...) Show SMILES COc1cccc2OC[C@H](CN3C4CCC3C=C(C4)n3ccc4cc(F)ccc34)Oc12 |c:17| Show InChI InChI=1S/C25H25FN2O3/c1-29-23-3-2-4-24-25(23)31-21(15-30-24)14-28-18-6-7-19(28)13-20(12-18)27-10-9-16-11-17(26)5-8-22(16)27/h2-5,8-12,18-19,21H,6-7,13-15H2,1H3/t18?,19?,21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	71	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Agonsitic activity of compound towards 5-hydroxytryptamine 1A receptor was evaluated by [35S]-GTP-gammaS, stimulated cAMP assay				Bioorg Med Chem Lett 14: 515-8 (2003) BindingDB Entry DOI: 10.7270/Q247499J
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50138473 ((1R,3R,5S)-8-((S)-8-Ethoxy-2,3-dihydro-benzo[1,4]d...) Show SMILES CCOc1cccc2OC[C@H](CN3[C@H]4CC[C@@H]3C[C@](O)(C4)c3ccc4ccccc4c3)Oc12 |THB:11:12:18.20.17:14.15| Show InChI InChI=1S/C28H31NO4/c1-2-31-25-8-5-9-26-27(25)33-24(18-32-26)17-29-22-12-13-23(29)16-28(30,15-22)21-11-10-19-6-3-4-7-20(19)14-21/h3-11,14,22-24,30H,2,12-13,15-18H2,1H3/t22-,23+,24-,28+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	104	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]prazosin from alpha-1 adrenergic receptor				Bioorg Med Chem Lett 14: 515-8 (2003) BindingDB Entry DOI: 10.7270/Q247499J
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50138474 ((1R,3R,5S)-3-Benzo[b]thiophen-3-yl-8-((S)-8-methox...) Show SMILES COc1cccc2OC[C@H](CN3[C@H]4CC[C@@H]3C[C@](O)(C4)c3csc4ccccc34)Oc12 |THB:10:11:17.16.19:13.14| Show InChI InChI=1S/C25H27NO4S/c1-28-21-6-4-7-22-24(21)30-18(14-29-22)13-26-16-9-10-17(26)12-25(27,11-16)20-15-31-23-8-3-2-5-19(20)23/h2-8,15-18,27H,9-14H2,1H3/t16-,17+,18-,25+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	106	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Agonsitic activity of compound towards 5-hydroxytryptamine 1A receptor was evaluated by [35S]-GTP-gammaS, stimulated cAMP assay				Bioorg Med Chem Lett 14: 515-8 (2003) BindingDB Entry DOI: 10.7270/Q247499J
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50138472 ((1R,3R,5S)-3-Benzo[b]thiophen-3-yl-8-((S)-8-ethoxy...) Show SMILES CCOc1cccc2OC[C@H](CN3[C@H]4CC[C@@H]3C[C@](O)(C4)c3csc4ccccc34)Oc12 |THB:11:12:18.17.20:14.15| Show InChI InChI=1S/C26H29NO4S/c1-2-29-22-7-5-8-23-25(22)31-19(15-30-23)14-27-17-10-11-18(27)13-26(28,12-17)21-16-32-24-9-4-3-6-20(21)24/h3-9,16-19,28H,2,10-15H2,1H3/t17-,18+,19-,26+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	124	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Agonsitic activity of compound towards 5-hydroxytryptamine 1A receptor was evaluated by [35S]-GTP-gammaS, stimulated cAMP assay				Bioorg Med Chem Lett 14: 515-8 (2003) BindingDB Entry DOI: 10.7270/Q247499J
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50138476 (5-Fluoro-1-[8-((S)-8-methoxy-2,3-dihydro-benzo[1,4...) Show SMILES COc1cccc2OC[C@H](CN3C4CCC3C=C(C4)n3ccc4cc(F)ccc34)Oc12 |c:17| Show InChI InChI=1S/C25H25FN2O3/c1-29-23-3-2-4-24-25(23)31-21(15-30-24)14-28-18-6-7-19(28)13-20(12-18)27-10-9-16-11-17(26)5-8-22(16)27/h2-5,8-12,18-19,21H,6-7,13-15H2,1H3/t18?,19?,21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	128	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]-8-OH-DPAT from human 5-hydroxytryptamine 1A receptor expressed in CHO cells				Bioorg Med Chem Lett 14: 515-8 (2003) BindingDB Entry DOI: 10.7270/Q247499J
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50138482 ((1R,3R,5S)-8-((S)-8-Ethoxy-2,3-dihydro-benzo[1,4]d...) Show SMILES CCOc1cccc2OC[C@H](CN3[C@H]4CC[C@@H]3C[C@](O)(C4)c3ccccn3)Oc12 |THB:11:12:18.20.17:15.14| Show InChI InChI=1S/C23H28N2O4/c1-2-27-19-6-5-7-20-22(19)29-18(15-28-20)14-25-16-9-10-17(25)13-23(26,12-16)21-8-3-4-11-24-21/h3-8,11,16-18,26H,2,9-10,12-15H2,1H3/t16-,17+,18-,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	147	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]prazosin from alpha-1 adrenergic receptor				Bioorg Med Chem Lett 14: 515-8 (2003) BindingDB Entry DOI: 10.7270/Q247499J
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50138483 (8-((S)-8-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2-yl...) Show SMILES COc1cccc2OC[C@H](CN3C4CCC3C=C(C4)c3ccc4ccccc4c3)Oc12 |c:17| Show InChI InChI=1S/C27H27NO3/c1-29-25-7-4-8-26-27(25)31-24(17-30-26)16-28-22-11-12-23(28)15-21(14-22)20-10-9-18-5-2-3-6-19(18)13-20/h2-10,13-14,22-24H,11-12,15-17H2,1H3/t22?,23?,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	229	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]prazosin from alpha-1 adrenergic receptor				Bioorg Med Chem Lett 14: 515-8 (2003) BindingDB Entry DOI: 10.7270/Q247499J
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50138477 (8-[8-((S)-8-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2...) Show SMILES COc1cccc2OC[C@H](CN3C4CCC3C=C(C4)c3cccc4cccnc34)Oc12 |c:17| Show InChI InChI=1S/C26H26N2O3/c1-29-23-8-3-9-24-26(23)31-21(16-30-24)15-28-19-10-11-20(28)14-18(13-19)22-7-2-5-17-6-4-12-27-25(17)22/h2-9,12-13,19-21H,10-11,14-16H2,1H3/t19?,20?,21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	307	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]-8-OH-DPAT from human 5-hydroxytryptamine 1A receptor expressed in CHO cells				Bioorg Med Chem Lett 14: 515-8 (2003) BindingDB Entry DOI: 10.7270/Q247499J
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50138475 (8-((S)-8-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2-yl...) Show SMILES COc1cccc2OC[C@H](CN3C4CCC3C=C(C4)c3cccc4ccccc34)Oc12 |c:17| Show InChI InChI=1S/C27H27NO3/c1-29-25-10-5-11-26-27(25)31-22(17-30-26)16-28-20-12-13-21(28)15-19(14-20)24-9-4-7-18-6-2-3-8-23(18)24/h2-11,14,20-22H,12-13,15-17H2,1H3/t20?,21?,22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	357	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]-8-OH-DPAT from human 5-hydroxytryptamine 1A receptor expressed in CHO cells				Bioorg Med Chem Lett 14: 515-8 (2003) BindingDB Entry DOI: 10.7270/Q247499J
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50138471 (3-(3,4-Dichloro-phenyl)-8-((S)-8-methoxy-2,3-dihyd...) Show SMILES COc1cccc2OC[C@H](CN3C4CCC3C=C(C4)c3ccc(Cl)c(Cl)c3)Oc12 |c:17| Show InChI InChI=1S/C23H23Cl2NO3/c1-27-21-3-2-4-22-23(21)29-18(13-28-22)12-26-16-6-7-17(26)10-15(9-16)14-5-8-19(24)20(25)11-14/h2-5,8-9,11,16-18H,6-7,10,12-13H2,1H3/t16?,17?,18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory activity of compound against serotonin transport by HC5-5-HT transporter				Bioorg Med Chem Lett 14: 515-8 (2003) BindingDB Entry DOI: 10.7270/Q247499J
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50138478 ((1R,3R,5S)-8-((S)-8-Methoxy-2,3-dihydro-benzo[1,4]...) Show SMILES COc1cccc2OC[C@H](CN3[C@H]4CC[C@@H]3C[C@](O)(C4)c3ccc4ccccc4c3)Oc12 |THB:10:11:17.19.16:13.14| Show InChI InChI=1S/C27H29NO4/c1-30-24-7-4-8-25-26(24)32-23(17-31-25)16-28-21-11-12-22(28)15-27(29,14-21)20-10-9-18-5-2-3-6-19(18)13-20/h2-10,13,21-23,29H,11-12,14-17H2,1H3/t21-,22+,23-,27+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.90	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Agonsitic activity of compound towards 5-hydroxytryptamine 1A receptor was evaluated by forskloin stimulated cAMP assay				Bioorg Med Chem Lett 14: 515-8 (2003) BindingDB Entry DOI: 10.7270/Q247499J
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50138480 ((1R,3R,5S)-8-((S)-8-Methoxy-2,3-dihydro-benzo[1,4]...) Show SMILES COc1cccc2OC[C@H](CN3[C@H]4CC[C@@H]3C[C@](O)(C4)c3ccccc3)Oc12 |THB:10:11:17.19.16:13.14| Show InChI InChI=1S/C23H27NO4/c1-26-20-8-5-9-21-22(20)28-19(15-27-21)14-24-17-10-11-18(24)13-23(25,12-17)16-6-3-2-4-7-16/h2-9,17-19,25H,10-15H2,1H3/t17-,18+,19-,23+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory activity of compound against serotonin transport by HC5-5-HT transporter				Bioorg Med Chem Lett 14: 515-8 (2003) BindingDB Entry DOI: 10.7270/Q247499J
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50138478 ((1R,3R,5S)-8-((S)-8-Methoxy-2,3-dihydro-benzo[1,4]...) Show SMILES COc1cccc2OC[C@H](CN3[C@H]4CC[C@@H]3C[C@](O)(C4)c3ccc4ccccc4c3)Oc12 |THB:10:11:17.19.16:13.14| Show InChI InChI=1S/C27H29NO4/c1-30-24-7-4-8-25-26(24)32-23(17-31-25)16-28-21-11-12-22(28)15-27(29,14-21)20-10-9-18-5-2-3-6-19(18)13-20/h2-10,13,21-23,29H,11-12,14-17H2,1H3/t21-,22+,23-,27+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from human 5-hydroxytryptamine 1A receptor expressed in CHO cells				Bioorg Med Chem Lett 14: 515-8 (2003) BindingDB Entry DOI: 10.7270/Q247499J
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50138480 ((1R,3R,5S)-8-((S)-8-Methoxy-2,3-dihydro-benzo[1,4]...) Show SMILES COc1cccc2OC[C@H](CN3[C@H]4CC[C@@H]3C[C@](O)(C4)c3ccccc3)Oc12 |THB:10:11:17.19.16:13.14| Show InChI InChI=1S/C23H27NO4/c1-26-20-8-5-9-21-22(20)28-19(15-27-21)14-24-17-10-11-18(24)13-23(25,12-17)16-6-3-2-4-7-16/h2-9,17-19,25H,10-15H2,1H3/t17-,18+,19-,23+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory activity of compound against serotonin transport by HC5-5-HT transporter				Bioorg Med Chem Lett 14: 515-8 (2003) BindingDB Entry DOI: 10.7270/Q247499J
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50138474 ((1R,3R,5S)-3-Benzo[b]thiophen-3-yl-8-((S)-8-methox...) Show SMILES COc1cccc2OC[C@H](CN3[C@H]4CC[C@@H]3C[C@](O)(C4)c3csc4ccccc34)Oc12 |THB:10:11:17.16.19:13.14| Show InChI InChI=1S/C25H27NO4S/c1-28-21-6-4-7-22-24(21)30-18(14-29-22)13-26-16-9-10-17(26)12-25(27,11-16)20-15-31-23-8-3-2-5-19(20)23/h2-8,15-18,27H,9-14H2,1H3/t16-,17+,18-,25+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Agonsitic activity of compound towards 5-hydroxytryptamine 1A receptor was evaluated by [35S]-GTP-gammaS, stimulated cAMP assay				Bioorg Med Chem Lett 14: 515-8 (2003) BindingDB Entry DOI: 10.7270/Q247499J
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50138477 (8-[8-((S)-8-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2...) Show SMILES COc1cccc2OC[C@H](CN3C4CCC3C=C(C4)c3cccc4cccnc34)Oc12 |c:17| Show InChI InChI=1S/C26H26N2O3/c1-29-23-8-3-9-24-26(23)31-21(16-30-24)15-28-19-10-11-20(28)14-18(13-19)22-7-2-5-17-6-4-12-27-25(17)22/h2-9,12-13,19-21H,10-11,14-16H2,1H3/t19?,20?,21-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	109	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory activity of compound against serotonin transport by HC5-5-HT transporter				Bioorg Med Chem Lett 14: 515-8 (2003) BindingDB Entry DOI: 10.7270/Q247499J
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50138474 ((1R,3R,5S)-3-Benzo[b]thiophen-3-yl-8-((S)-8-methox...) Show SMILES COc1cccc2OC[C@H](CN3[C@H]4CC[C@@H]3C[C@](O)(C4)c3csc4ccccc34)Oc12 |THB:10:11:17.16.19:13.14| Show InChI InChI=1S/C25H27NO4S/c1-28-21-6-4-7-22-24(21)30-18(14-29-22)13-26-16-9-10-17(26)12-25(27,11-16)20-15-31-23-8-3-2-5-19(20)23/h2-8,15-18,27H,9-14H2,1H3/t16-,17+,18-,25+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Agonsitic activity of compound towards 5-hydroxytryptamine 1A receptor was evaluated by forskloin stimulated cAMP assay				Bioorg Med Chem Lett 14: 515-8 (2003) BindingDB Entry DOI: 10.7270/Q247499J
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50138476 (5-Fluoro-1-[8-((S)-8-methoxy-2,3-dihydro-benzo[1,4...) Show SMILES COc1cccc2OC[C@H](CN3C4CCC3C=C(C4)n3ccc4cc(F)ccc34)Oc12 |c:17| Show InChI InChI=1S/C25H25FN2O3/c1-29-23-3-2-4-24-25(23)31-21(15-30-24)14-28-18-6-7-19(28)13-20(12-18)27-10-9-16-11-17(26)5-8-22(16)27/h2-5,8-12,18-19,21H,6-7,13-15H2,1H3/t18?,19?,21-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	138	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Agonsitic activity of compound towards 5-hydroxytryptamine 1A receptor was evaluated by forskloin stimulated cAMP assay				Bioorg Med Chem Lett 14: 515-8 (2003) BindingDB Entry DOI: 10.7270/Q247499J
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50138471 (3-(3,4-Dichloro-phenyl)-8-((S)-8-methoxy-2,3-dihyd...) Show SMILES COc1cccc2OC[C@H](CN3C4CCC3C=C(C4)c3ccc(Cl)c(Cl)c3)Oc12 |c:17| Show InChI InChI=1S/C23H23Cl2NO3/c1-27-21-3-2-4-22-23(21)29-18(13-28-22)12-26-16-6-7-17(26)10-15(9-16)14-5-8-19(24)20(25)11-14/h2-5,8-9,11,16-18H,6-7,10,12-13H2,1H3/t16?,17?,18-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory activity of compound against serotonin transport by HC5-5-HT transporter				Bioorg Med Chem Lett 14: 515-8 (2003) BindingDB Entry DOI: 10.7270/Q247499J
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50138483 (8-((S)-8-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2-yl...) Show SMILES COc1cccc2OC[C@H](CN3C4CCC3C=C(C4)c3ccc4ccccc4c3)Oc12 |c:17| Show InChI InChI=1S/C27H27NO3/c1-29-25-7-4-8-26-27(25)31-24(17-30-26)16-28-22-11-12-23(28)15-21(14-22)20-10-9-18-5-2-3-6-19(18)13-20/h2-10,13-14,22-24H,11-12,15-17H2,1H3/t22?,23?,24-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	767	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Agonsitic activity of compound towards 5-hydroxytryptamine 1A receptor was evaluated by forskloin stimulated cAMP assay				Bioorg Med Chem Lett 14: 515-8 (2003) BindingDB Entry DOI: 10.7270/Q247499J
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50138475 (8-((S)-8-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2-yl...) Show SMILES COc1cccc2OC[C@H](CN3C4CCC3C=C(C4)c3cccc4ccccc34)Oc12 |c:17| Show InChI InChI=1S/C27H27NO3/c1-29-25-10-5-11-26-27(25)31-22(17-30-26)16-28-20-12-13-21(28)15-19(14-20)24-9-4-7-18-6-2-3-8-23(18)24/h2-11,14,20-22H,12-13,15-17H2,1H3/t20?,21?,22-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	951	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory activity of compound against serotonin transport by HC5-5-HT transporter				Bioorg Med Chem Lett 14: 515-8 (2003) BindingDB Entry DOI: 10.7270/Q247499J
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50138481 ((1R,3R,5S)-8-((S)-8-Methoxy-2,3-dihydro-benzo[1,4]...) Show SMILES COc1cccc2OC[C@H](CN3[C@H]4CC[C@@H]3C[C@](O)(C4)c3ccccn3)Oc12 |THB:10:11:17.19.16:14.13| Show InChI InChI=1S/C22H26N2O4/c1-26-18-5-4-6-19-21(18)28-17(14-27-19)13-24-15-8-9-16(24)12-22(25,11-15)20-7-2-3-10-23-20/h2-7,10,15-17,25H,8-9,11-14H2,1H3/t15-,16+,17-,22+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.48E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Agonsitic activity of compound towards 5-hydroxytryptamine 1A receptor was evaluated by [35S]-GTP-gammaS, stimulated cAMP assay				Bioorg Med Chem Lett 14: 515-8 (2003) BindingDB Entry DOI: 10.7270/Q247499J
					More data for this Ligand-Target Pair