Compile Data Set for Download or QSAR

Found 240 hits with Last Name = 'stack' and Initial = 'gp'   

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
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50295066 ((2S)-8-Methyl-2-{[4-(6-nitroquinolin-2-yl)piperazi...) Show SMILES Cc1ccc2c3O[C@@H](CN4CCN(CC4)c4ccc5cc(ccc5n4)[N+]([O-])=O)COc3ccc2n1 |r| Show InChI InChI=1S/C26H25N5O4/c1-17-2-5-21-23(27-17)7-8-24-26(21)35-20(16-34-24)15-29-10-12-30(13-11-29)25-9-3-18-14-19(31(32)33)4-6-22(18)28-25/h2-9,14,20H,10-13,15-16H2,1H3/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.25	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]paroxetine from 5HT transporter in rat cortical membrane				J Med Chem 52: 4955-9 (2009) Article DOI: 10.1021/jm900374r BindingDB Entry DOI: 10.7270/Q2CZ376D
					More data for this Ligand-Target Pair
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 (Rattus norvegicus (rat))	BDBM50295064 ((2S)-2-{[4-(6-Chloroquinolin-2-yl)piperazin-1-yl]m...) Show SMILES Cc1ccc2c3O[C@@H](CN4CCN(CC4)c4ccc5cc(Cl)ccc5n4)COc3ccc2n1 |r| Show InChI InChI=1S/C26H25ClN4O2/c1-17-2-5-21-23(28-17)7-8-24-26(21)33-20(16-32-24)15-30-10-12-31(13-11-30)25-9-3-18-14-19(27)4-6-22(18)29-25/h2-9,14,20H,10-13,15-16H2,1H3/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.880	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]paroxetine from 5HT transporter in rat cortical membrane				J Med Chem 52: 4955-9 (2009) Article DOI: 10.1021/jm900374r BindingDB Entry DOI: 10.7270/Q2CZ376D
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM86708 (CAS_146714-97-8 | CHEMBL31354 | CHEMBL514874 | CHE...) Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1 Show InChI InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells				J Med Chem 52: 4955-9 (2009) Article DOI: 10.1021/jm900374r BindingDB Entry DOI: 10.7270/Q2CZ376D
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50295055 (2-(4-{[(2S)-8-Methyl-2,3-dihydro[1,4]dioxino[2,3-f...) Show SMILES Cc1ccc2c3O[C@@H](CN4CCCN(CC4)c4ccc5cc(ccc5n4)C#N)COc3ccc2n1 |r| Show InChI InChI=1S/C28H27N5O2/c1-19-3-6-23-25(30-19)8-9-26-28(23)35-22(18-34-26)17-32-11-2-12-33(14-13-32)27-10-5-21-15-20(16-29)4-7-24(21)31-27/h3-10,15,22H,2,11-14,17-18H2,1H3/t22-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from 5HT transporter in rat cortical membrane				J Med Chem 52: 4955-9 (2009) Article DOI: 10.1021/jm900374r BindingDB Entry DOI: 10.7270/Q2CZ376D
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50209674 (CHEMBL391531 | N-(3-(5-fluoro-1H-indol-3-yl)propyl...) Show SMILES Fc1ccc2[nH]cc(CCCNC3COc4c(C3)ccc3ncccc43)c2c1 |w:12.11| Show InChI InChI=1S/C23H22FN3O/c24-17-6-8-22-20(12-17)16(13-27-22)3-1-9-25-18-11-15-5-7-21-19(4-2-10-26-21)23(15)28-14-18/h2,4-8,10,12-13,18,25,27H,1,3,9,11,14H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from 5HT reuptake site of rat cortical 5HTT				Bioorg Med Chem Lett 17: 3117-21 (2007) Article DOI: 10.1016/j.bmcl.2007.03.049 BindingDB Entry DOI: 10.7270/Q2125SBH
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50209674 (CHEMBL391531 | N-(3-(5-fluoro-1H-indol-3-yl)propyl...) Show SMILES Fc1ccc2[nH]cc(CCCNC3COc4c(C3)ccc3ncccc43)c2c1 |w:12.11| Show InChI InChI=1S/C23H22FN3O/c24-17-6-8-22-20(12-17)16(13-27-22)3-1-9-25-18-11-15-5-7-21-19(4-2-10-26-21)23(15)28-14-18/h2,4-8,10,12-13,18,25,27H,1,3,9,11,14H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from 5HT reuptake site of rat cortical 5HTT				Bioorg Med Chem Lett 17: 3117-21 (2007) Article DOI: 10.1016/j.bmcl.2007.03.049 BindingDB Entry DOI: 10.7270/Q2125SBH
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50209679 (CHEMBL234853 | N-(3-(5-fluoro-1H-indol-3-yl)propyl...) Show SMILES Fc1ccc2[nH]cc(CCCNC3COc4ccc5ncccc5c4C3)c2c1 |w:12.11| Show InChI InChI=1S/C23H22FN3O/c24-16-5-6-22-19(11-16)15(13-27-22)3-1-9-25-17-12-20-18-4-2-10-26-21(18)7-8-23(20)28-14-17/h2,4-8,10-11,13,17,25,27H,1,3,9,12,14H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	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]paroxetine from 5HT reuptake site of rat cortical 5HTT				Bioorg Med Chem Lett 17: 3117-21 (2007) Article DOI: 10.1016/j.bmcl.2007.03.049 BindingDB Entry DOI: 10.7270/Q2125SBH
					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))	BDBM50295054 ((2S)-2-{[4-(6-Fluoroquinolin-2-yl)-1,4-diazepan-1-...) Show SMILES Cc1ccc2c3O[C@@H](CN4CCCN(CC4)c4ccc5cc(F)ccc5n4)COc3ccc2n1 |r| Show InChI InChI=1S/C27H27FN4O2/c1-18-3-6-22-24(29-18)8-9-25-27(22)34-21(17-33-25)16-31-11-2-12-32(14-13-31)26-10-4-19-15-20(28)5-7-23(19)30-26/h3-10,15,21H,2,11-14,16-17H2,1H3/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article 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 5HT1A receptor expressed in CHO cells				J Med Chem 52: 4955-9 (2009) Article DOI: 10.1021/jm900374r BindingDB Entry DOI: 10.7270/Q2CZ376D
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50209682 (CHEMBL233624 | N-(4-(5-fluoro-1H-indol-3-yl)butyl)...) Show SMILES Fc1ccc2[nH]cc(CCCCNC3COc4c(C3)ccc3ncccc43)c2c1 |w:13.12| Show InChI InChI=1S/C24H24FN3O/c25-18-7-9-23-21(13-18)17(14-28-23)4-1-2-10-26-19-12-16-6-8-22-20(5-3-11-27-22)24(16)29-15-19/h3,5-9,11,13-14,19,26,28H,1-2,4,10,12,15H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from 5HT reuptake site of rat cortical 5HTT				Bioorg Med Chem Lett 17: 3117-21 (2007) Article DOI: 10.1016/j.bmcl.2007.03.049 BindingDB Entry DOI: 10.7270/Q2125SBH
					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))	BDBM50295055 (2-(4-{[(2S)-8-Methyl-2,3-dihydro[1,4]dioxino[2,3-f...) Show SMILES Cc1ccc2c3O[C@@H](CN4CCCN(CC4)c4ccc5cc(ccc5n4)C#N)COc3ccc2n1 |r| Show InChI InChI=1S/C28H27N5O2/c1-19-3-6-23-25(30-19)8-9-26-28(23)35-22(18-34-26)17-32-11-2-12-33(14-13-32)27-10-5-21-15-20(16-29)4-7-24(21)31-27/h3-10,15,22H,2,11-14,17-18H2,1H3/t22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2	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 5HT1A receptor expressed in CHO cells				J Med Chem 52: 4955-9 (2009) Article DOI: 10.1021/jm900374r BindingDB Entry DOI: 10.7270/Q2CZ376D
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM35229 (3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-met...) Show SMILES CNCCCN1c2ccccc2CCc2ccccc12 Show InChI InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	2.10	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]nisoxetine from human norepinephrine transporter expressed in MDCK-Net6 cells				J Med Chem 51: 4038-49 (2008) Article DOI: 10.1021/jm8002262 BindingDB Entry DOI: 10.7270/Q2TB16PB
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50295053 ((S)-2-((4-(1H-Indol-3-yl)-5,6-dihydropyridin-1(2H)...) Show SMILES Cc1ccc2c3O[C@@H](CN4CCC(=CC4)c4c[nH]c5ccccc45)COc3ccc2n1 |r,c:12| Show InChI InChI=1S/C26H25N3O2/c1-17-6-7-21-24(28-17)8-9-25-26(21)31-19(16-30-25)15-29-12-10-18(11-13-29)22-14-27-23-5-3-2-4-20(22)23/h2-10,14,19,27H,11-13,15-16H2,1H3/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	2.34	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]paroxetine from 5HT transporter in rat cortical membrane				J Med Chem 52: 4955-9 (2009) Article DOI: 10.1021/jm900374r BindingDB Entry DOI: 10.7270/Q2CZ376D
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM30130 (CHEMBL1201082 | CHEMBL41 | Fluoxetin | Fluoxetine ...) Show SMILES CNCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1 Show InChI InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.70	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]paroxetine from 5HT transporter in rat cortical membrane				J Med Chem 52: 4955-9 (2009) Article DOI: 10.1021/jm900374r BindingDB Entry DOI: 10.7270/Q2CZ376D
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50295057 (2-((3R)-3-Methyl-4-{[(2S)-8-methyl-2,3-dihydro[1,4...) Show SMILES C[C@@H]1CN(CCN1C[C@H]1COc2ccc3nc(C)ccc3c2O1)c1ccc2cc(ccc2n1)C#N |r| Show InChI InChI=1S/C28H27N5O2/c1-18-3-6-23-25(30-18)8-9-26-28(23)35-22(17-34-26)16-32-11-12-33(15-19(32)2)27-10-5-21-13-20(14-29)4-7-24(21)31-27/h3-10,13,19,22H,11-12,15-17H2,1-2H3/t19-,22+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80	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 5HT1A receptor expressed in CHO cells				J Med Chem 52: 4955-9 (2009) Article DOI: 10.1021/jm900374r BindingDB Entry DOI: 10.7270/Q2CZ376D
					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
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50209674 (CHEMBL391531 | N-(3-(5-fluoro-1H-indol-3-yl)propyl...) Show SMILES Fc1ccc2[nH]cc(CCCNC3COc4c(C3)ccc3ncccc43)c2c1 |w:12.11| Show InChI InChI=1S/C23H22FN3O/c24-17-6-8-22-20(12-17)16(13-27-22)3-1-9-25-18-11-15-5-7-21-19(4-2-10-26-21)23(15)28-14-18/h2,4-8,10,12-13,18,25,27H,1,3,9,11,14H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	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]paroxetine from 5HT reuptake site of rat cortical 5HTT				Bioorg Med Chem Lett 17: 3117-21 (2007) Article DOI: 10.1016/j.bmcl.2007.03.049 BindingDB Entry DOI: 10.7270/Q2125SBH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50295053 ((S)-2-((4-(1H-Indol-3-yl)-5,6-dihydropyridin-1(2H)...) Show SMILES Cc1ccc2c3O[C@@H](CN4CCC(=CC4)c4c[nH]c5ccccc45)COc3ccc2n1 |r,c:12| Show InChI InChI=1S/C26H25N3O2/c1-17-6-7-21-24(28-17)8-9-25-26(21)31-19(16-30-25)15-29-12-10-18(11-13-29)22-14-27-23-5-3-2-4-20(22)23/h2-10,14,19,27H,11-13,15-16H2,1H3/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	3.02	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 5HT1A receptor expressed in CHO cells				J Med Chem 52: 4955-9 (2009) Article DOI: 10.1021/jm900374r BindingDB Entry DOI: 10.7270/Q2CZ376D
					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
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50295052 (2-(4-{[(2S)-8-Methyl-2,3-dihydro[1,4]dioxino[2,3-f...) Show SMILES Cc1ccc2c3O[C@@H](CN4CCN(CC4)c4ccc5cc(ccc5n4)C#N)COc3ccc2n1 |r| Show InChI InChI=1S/C27H25N5O2/c1-18-2-5-22-24(29-18)7-8-25-27(22)34-21(17-33-25)16-31-10-12-32(13-11-31)26-9-4-20-14-19(15-28)3-6-23(20)30-26/h2-9,14,21H,10-13,16-17H2,1H3/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.70	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 5HT1A receptor expressed in CHO cells				J Med Chem 52: 4955-9 (2009) Article DOI: 10.1021/jm900374r BindingDB Entry DOI: 10.7270/Q2CZ376D
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50295054 ((2S)-2-{[4-(6-Fluoroquinolin-2-yl)-1,4-diazepan-1-...) Show SMILES Cc1ccc2c3O[C@@H](CN4CCCN(CC4)c4ccc5cc(F)ccc5n4)COc3ccc2n1 |r| Show InChI InChI=1S/C27H27FN4O2/c1-18-3-6-22-24(29-18)8-9-25-27(22)34-21(17-33-25)16-31-11-2-12-32(14-13-31)26-10-4-19-15-20(28)5-7-23(19)30-26/h3-10,15,21H,2,11-14,16-17H2,1H3/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.90	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]paroxetine from 5HT transporter in rat cortical membrane				J Med Chem 52: 4955-9 (2009) Article DOI: 10.1021/jm900374r BindingDB Entry DOI: 10.7270/Q2CZ376D
					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
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50209679 (CHEMBL234853 | N-(3-(5-fluoro-1H-indol-3-yl)propyl...) Show SMILES Fc1ccc2[nH]cc(CCCNC3COc4ccc5ncccc5c4C3)c2c1 |w:12.11| Show InChI InChI=1S/C23H22FN3O/c24-16-5-6-22-19(11-16)15(13-27-22)3-1-9-25-17-12-20-18-4-2-10-26-21(18)7-8-23(20)28-14-17/h2,4-8,10-11,13,17,25,27H,1,3,9,12,14H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.10	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]paroxetine from 5HT reuptake site of rat cortical 5HTT				Bioorg Med Chem Lett 17: 3117-21 (2007) Article DOI: 10.1016/j.bmcl.2007.03.049 BindingDB Entry DOI: 10.7270/Q2125SBH
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50209679 (CHEMBL234853 | N-(3-(5-fluoro-1H-indol-3-yl)propyl...) Show SMILES Fc1ccc2[nH]cc(CCCNC3COc4ccc5ncccc5c4C3)c2c1 |w:12.11| Show InChI InChI=1S/C23H22FN3O/c24-16-5-6-22-19(11-16)15(13-27-22)3-1-9-25-17-12-20-18-4-2-10-26-21(18)7-8-23(20)28-14-17/h2,4-8,10-11,13,17,25,27H,1,3,9,12,14H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.10	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]paroxetine from 5HT reuptake site of rat cortical 5HTT				Bioorg Med Chem Lett 17: 3117-21 (2007) Article DOI: 10.1016/j.bmcl.2007.03.049 BindingDB Entry DOI: 10.7270/Q2125SBH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50295058 ((2S)-8-Methyl-2-{[(2R)-2-methyl-4-quinolin-2-ylpip...) Show SMILES C[C@@H]1CN(CCN1C[C@H]1COc2ccc3nc(C)ccc3c2O1)c1ccc2ccccc2n1 |r| Show InChI InChI=1S/C27H28N4O2/c1-18-7-9-22-24(28-18)10-11-25-27(22)33-21(17-32-25)16-30-13-14-31(15-19(30)2)26-12-8-20-5-3-4-6-23(20)29-26/h3-12,19,21H,13-17H2,1-2H3/t19-,21+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.5	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 5HT1A receptor expressed in CHO cells				J Med Chem 52: 4955-9 (2009) Article DOI: 10.1021/jm900374r BindingDB Entry DOI: 10.7270/Q2CZ376D
					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
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50295056 ((2S)-8-Methyl-2-[(4-quinolin-2-yl-1,4-diazepan-1-y...) Show SMILES Cc1ccc2c3O[C@@H](CN4CCCN(CC4)c4ccc5ccccc5n4)COc3ccc2n1 |r| Show InChI InChI=1S/C27H28N4O2/c1-19-7-9-22-24(28-19)10-11-25-27(22)33-21(18-32-25)17-30-13-4-14-31(16-15-30)26-12-8-20-5-2-3-6-23(20)29-26/h2-3,5-12,21H,4,13-18H2,1H3/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.80	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 5HT1A receptor expressed in CHO cells				J Med Chem 52: 4955-9 (2009) Article DOI: 10.1021/jm900374r BindingDB Entry DOI: 10.7270/Q2CZ376D
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50295062 (2-(4-{[(2S)-8-Methyl-2,3-dihydro[1,4]dioxino[2,3-f...) Show SMILES Cc1ccc2c3O[C@@H](CN4CCN(CC4)c4ccc5cc(ccc5n4)C(N)=O)COc3ccc2n1 |r| Show InChI InChI=1S/C27H27N5O3/c1-17-2-5-21-23(29-17)7-8-24-26(21)35-20(16-34-24)15-31-10-12-32(13-11-31)25-9-4-18-14-19(27(28)33)3-6-22(18)30-25/h2-9,14,20H,10-13,15-16H2,1H3,(H2,28,33)/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.20	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 5HT1A receptor expressed in CHO cells				J Med Chem 52: 4955-9 (2009) Article DOI: 10.1021/jm900374r BindingDB Entry DOI: 10.7270/Q2CZ376D
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50295056 ((2S)-8-Methyl-2-[(4-quinolin-2-yl-1,4-diazepan-1-y...) Show SMILES Cc1ccc2c3O[C@@H](CN4CCCN(CC4)c4ccc5ccccc5n4)COc3ccc2n1 |r| Show InChI InChI=1S/C27H28N4O2/c1-19-7-9-22-24(28-19)10-11-25-27(22)33-21(18-32-25)17-30-13-4-14-31(16-15-30)26-12-8-20-5-2-3-6-23(20)29-26/h2-3,5-12,21H,4,13-18H2,1H3/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7.40	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]paroxetine from 5HT transporter in rat cortical membrane				J Med Chem 52: 4955-9 (2009) Article DOI: 10.1021/jm900374r BindingDB Entry DOI: 10.7270/Q2CZ376D
					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
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50209677 (CHEMBL233591 | N-(3-(5-fluoro-1H-indol-3-yl)propyl...) Show SMILES CCCN(CCCc1c[nH]c2ccc(F)cc12)C1COc2ccc3ncccc3c2C1 |w:17.18| Show InChI InChI=1S/C26H28FN3O/c1-2-12-30(13-4-5-18-16-29-25-8-7-19(27)14-22(18)25)20-15-23-21-6-3-11-28-24(21)9-10-26(23)31-17-20/h3,6-11,14,16,20,29H,2,4-5,12-13,15,17H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.80	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]paroxetine from 5HT reuptake site of rat cortical 5HTT				Bioorg Med Chem Lett 17: 3117-21 (2007) Article DOI: 10.1016/j.bmcl.2007.03.049 BindingDB Entry DOI: 10.7270/Q2125SBH
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50191639 (CHEMBL378073 | N-(3-(5-fluoro-1H-indol-3-yl)propyl...) Show SMILES CCCN(CCCc1c[nH]c2ccc(F)cc12)C1COc2cccc(OC)c2C1 Show InChI InChI=1S/C24H29FN2O2/c1-3-11-27(19-14-21-23(28-2)7-4-8-24(21)29-16-19)12-5-6-17-15-26-22-10-9-18(25)13-20(17)22/h4,7-10,13,15,19,26H,3,5-6,11-12,14,16H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	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]paroxetine from 5HT reuptake site of rat cortical 5HTT				Bioorg Med Chem Lett 17: 3117-21 (2007) Article DOI: 10.1016/j.bmcl.2007.03.049 BindingDB Entry DOI: 10.7270/Q2125SBH
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50209681 (CHEMBL395586 | N-(3-(5-fluoro-1H-indol-3-yl)propyl...) Show SMILES COc1cccc2OCC(Cc12)NCCCc1c[nH]c2ccc(F)cc12 |w:9.13| Show InChI InChI=1S/C21H23FN2O2/c1-25-20-5-2-6-21-18(20)11-16(13-26-21)23-9-3-4-14-12-24-19-8-7-15(22)10-17(14)19/h2,5-8,10,12,16,23-24H,3-4,9,11,13H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.20	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]paroxetine from 5HT reuptake site of rat cortical 5HTT				Bioorg Med Chem Lett 17: 3117-21 (2007) Article DOI: 10.1016/j.bmcl.2007.03.049 BindingDB Entry DOI: 10.7270/Q2125SBH
					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
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50295059 ((2S)-8-Methyl-2-{[(2S)-2-methyl-4-quinolin-2-ylpip...) Show SMILES C[C@H]1CN(CCN1C[C@H]1COc2ccc3nc(C)ccc3c2O1)c1ccc2ccccc2n1 |r| Show InChI InChI=1S/C27H28N4O2/c1-18-7-9-22-24(28-18)10-11-25-27(22)33-21(17-32-25)16-30-13-14-31(15-19(30)2)26-12-8-20-5-3-4-6-23(20)29-26/h3-12,19,21H,13-17H2,1-2H3/t19-,21-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10.3	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]paroxetine from 5HT transporter in rat cortical membrane				J Med Chem 52: 4955-9 (2009) Article DOI: 10.1021/jm900374r BindingDB Entry DOI: 10.7270/Q2CZ376D
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50209675 (CHEMBL266908 | N-(4-(5-fluoro-1H-indol-3-yl)butyl)...) Show SMILES CCCN(CCCCc1c[nH]c2ccc(F)cc12)C1COc2c(C1)ccc1ncccc21 |w:18.19| Show InChI InChI=1S/C27H30FN3O/c1-2-13-31(14-4-3-6-20-17-30-26-11-9-21(28)16-24(20)26)22-15-19-8-10-25-23(7-5-12-29-25)27(19)32-18-22/h5,7-12,16-17,22,30H,2-4,6,13-15,18H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	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]paroxetine from 5HT reuptake site of rat cortical 5HTT				Bioorg Med Chem Lett 17: 3117-21 (2007) Article DOI: 10.1016/j.bmcl.2007.03.049 BindingDB Entry DOI: 10.7270/Q2125SBH
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50209680 (CHEMBL233622 | N-(3-(5-fluoro-1H-indol-3-yl)propyl...) Show SMILES CCCN(CCCc1c[nH]c2ccc(F)cc12)C1COc2c(C1)ccc1ncccc21 |w:17.18| Show InChI InChI=1S/C26H28FN3O/c1-2-12-30(13-4-5-19-16-29-25-10-8-20(27)15-23(19)25)21-14-18-7-9-24-22(6-3-11-28-24)26(18)31-17-21/h3,6-11,15-16,21,29H,2,4-5,12-14,17H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12.4	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]paroxetine from 5HT reuptake site of rat cortical 5HTT				Bioorg Med Chem Lett 17: 3117-21 (2007) Article DOI: 10.1016/j.bmcl.2007.03.049 BindingDB Entry DOI: 10.7270/Q2125SBH
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50295063 ((2S)-2-{[4-(6-Bromoquinolin-2-yl)piperazin-1-yl]me...) Show SMILES Cc1ccc2c3O[C@@H](CN4CCN(CC4)c4ccc5cc(Br)ccc5n4)COc3ccc2n1 |r| Show InChI InChI=1S/C26H25BrN4O2/c1-17-2-5-21-23(28-17)7-8-24-26(21)33-20(16-32-24)15-30-10-12-31(13-11-30)25-9-3-18-14-19(27)4-6-22(18)29-25/h2-9,14,20H,10-13,15-16H2,1H3/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	12.7	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]paroxetine from 5HT transporter in rat cortical membrane				J Med Chem 52: 4955-9 (2009) Article DOI: 10.1021/jm900374r BindingDB Entry DOI: 10.7270/Q2CZ376D
					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
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50295052 (2-(4-{[(2S)-8-Methyl-2,3-dihydro[1,4]dioxino[2,3-f...) Show SMILES Cc1ccc2c3O[C@@H](CN4CCN(CC4)c4ccc5cc(ccc5n4)C#N)COc3ccc2n1 |r| Show InChI InChI=1S/C27H25N5O2/c1-18-2-5-22-24(29-18)7-8-25-27(22)34-21(17-33-25)16-31-10-12-32(13-11-31)26-9-4-20-14-19(15-28)3-6-23(20)30-26/h2-9,14,21H,10-13,16-17H2,1H3/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13.8	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]paroxetine from 5HT transporter in rat cortical membrane				J Med Chem 52: 4955-9 (2009) Article DOI: 10.1021/jm900374r BindingDB Entry DOI: 10.7270/Q2CZ376D
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50243500 ((-)-1-[(1S)-1-(3-Chlorophenyl)-2-(4-methylpiperazi...) Show SMILES CN1CCN(C[C@H](c2cccc(Cl)c2)C2(O)CCCCC2)CC1 |r| Show InChI InChI=1S/C19H29ClN2O/c1-21-10-12-22(13-11-21)15-18(16-6-5-7-17(20)14-16)19(23)8-3-2-4-9-19/h5-7,14,18,23H,2-4,8-13,15H2,1H3/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	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]nisoxetine from human norepinephrine transporter expressed in MDCK-Net6 cells				J Med Chem 51: 4038-49 (2008) Article DOI: 10.1021/jm8002262 BindingDB Entry DOI: 10.7270/Q2TB16PB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50191639 (CHEMBL378073 | N-(3-(5-fluoro-1H-indol-3-yl)propyl...) Show SMILES CCCN(CCCc1c[nH]c2ccc(F)cc12)C1COc2cccc(OC)c2C1 Show InChI InChI=1S/C24H29FN2O2/c1-3-11-27(19-14-21-23(28-2)7-4-8-24(21)29-16-19)12-5-6-17-15-26-22-10-9-18(25)13-20(17)22/h4,7-10,13,15,19,26H,3,5-6,11-12,14,16H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15.8	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 5HT1A receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 3117-21 (2007) Article DOI: 10.1016/j.bmcl.2007.03.049 BindingDB Entry DOI: 10.7270/Q2125SBH
					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 (Rattus norvegicus (rat))	BDBM50295062 (2-(4-{[(2S)-8-Methyl-2,3-dihydro[1,4]dioxino[2,3-f...) Show SMILES Cc1ccc2c3O[C@@H](CN4CCN(CC4)c4ccc5cc(ccc5n4)C(N)=O)COc3ccc2n1 |r| Show InChI InChI=1S/C27H27N5O3/c1-17-2-5-21-23(29-17)7-8-24-26(21)35-20(16-34-24)15-31-10-12-32(13-11-31)25-9-4-18-14-19(27(28)33)3-6-22(18)30-25/h2-9,14,20H,10-13,15-16H2,1H3,(H2,28,33)/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article 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]paroxetine from 5HT transporter in rat cortical membrane				J Med Chem 52: 4955-9 (2009) Article DOI: 10.1021/jm900374r BindingDB Entry DOI: 10.7270/Q2CZ376D
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50243503 ((+)-1-[(1S)-1-(3-Chlorophenyl)-2-piperazin-1-yleth...) Show SMILES OC1(CCCCC1)[C@H](CN1CCNCC1)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C18H27ClN2O/c19-16-6-4-5-15(13-16)17(14-21-11-9-20-10-12-21)18(22)7-2-1-3-8-18/h4-6,13,17,20,22H,1-3,7-12,14H2/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article 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]nisoxetine from human norepinephrine transporter expressed in MDCK-Net6 cells				J Med Chem 51: 4038-49 (2008) Article DOI: 10.1021/jm8002262 BindingDB Entry DOI: 10.7270/Q2TB16PB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50295063 ((2S)-2-{[4-(6-Bromoquinolin-2-yl)piperazin-1-yl]me...) Show SMILES Cc1ccc2c3O[C@@H](CN4CCN(CC4)c4ccc5cc(Br)ccc5n4)COc3ccc2n1 |r| Show InChI InChI=1S/C26H25BrN4O2/c1-17-2-5-21-23(28-17)7-8-24-26(21)33-20(16-32-24)15-30-10-12-31(13-11-30)25-9-3-18-14-19(27)4-6-22(18)29-25/h2-9,14,20H,10-13,15-16H2,1H3/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	17.2	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 5HT1A receptor expressed in CHO cells				J Med Chem 52: 4955-9 (2009) Article DOI: 10.1021/jm900374r BindingDB Entry DOI: 10.7270/Q2CZ376D
					More data for this Ligand-Target Pair

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