Compile Data Set for Download or QSAR

Found 264 hits with Last Name = 'sylte' and Initial = 'i'   

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 (Homo sapiens (Human))	BDBM50063266 (6-Nitro-2-piperazin-1-yl-quinoline | 6-nitroquipaz...) Show SMILES [O-][N+](=O)c1ccc2nc(ccc2c1)N1CCNCC1 Show InChI InChI=1S/C13H14N4O2/c18-17(19)11-2-3-12-10(9-11)1-4-13(15-12)16-7-5-14-6-8-16/h1-4,9,14H,5-8H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Medicines Institute Curated by ChEMBL					Assay Description Displacement of [3H]-5HT from human SERT				Eur J Med Chem 49: 200-10 (2012) Article DOI: 10.1016/j.ejmech.2012.01.012 BindingDB Entry DOI: 10.7270/Q2K35V4Z
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM105212 (2-(4-Nonyl-piperazin-1-yl)-6-nitroquinoline (9)) Show SMILES CCCCCCCCCN1CCN(CC1)c1ccc2cc(ccc2n1)[N+]([O-])=O Show InChI InChI=1S/C22H32N4O2/c1-2-3-4-5-6-7-8-13-24-14-16-25(17-15-24)22-12-9-19-18-20(26(27)28)10-11-21(19)23-22/h9-12,18H,2-8,13-17H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.80	-49.9	n/a	n/a	n/a	n/a	n/a	7.7	25
University of Troms£					Assay Description The assay was performed in accordance with the method described by Owens et al. with slight modifications. Rat cerebral cortex was homogenized in 30...				Chem Biol Drug Des 81: 695-706 (2013) Article DOI: 10.1111/cbdd.12116 BindingDB Entry DOI: 10.7270/Q2542M7W
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM105213 (2-(4-Decyl-piperazin-1-yl)-6-nitroquinoline (10)) Show SMILES CCCCCCCCCCN1CCN(CC1)c1ccc2cc(ccc2n1)[N+]([O-])=O Show InChI InChI=1S/C23H34N4O2/c1-2-3-4-5-6-7-8-9-14-25-15-17-26(18-16-25)23-13-10-20-19-21(27(28)29)11-12-22(20)24-23/h10-13,19H,2-9,14-18H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.5	-47.6	n/a	n/a	n/a	n/a	n/a	7.7	25
University of Troms£					Assay Description The assay was performed in accordance with the method described by Owens et al. with slight modifications. Rat cerebral cortex was homogenized in 30...				Chem Biol Drug Des 81: 695-706 (2013) Article DOI: 10.1111/cbdd.12116 BindingDB Entry DOI: 10.7270/Q2542M7W
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50315962 (1-((2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methylamin...) Show SMILES OC(CNCC1COc2ccccc2O1)COc1ccccc1F Show InChI InChI=1S/C18H20FNO4/c19-15-5-1-2-6-16(15)22-11-13(21)9-20-10-14-12-23-17-7-3-4-8-18(17)24-14/h1-8,13-14,20-21H,9-12H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Polish Academy of Sciences Curated by ChEMBL					Assay Description Binding affinity at 5HT1A receptor				Bioorg Med Chem Lett 20: 2465-8 (2010) Article DOI: 10.1016/j.bmcl.2010.03.012 BindingDB Entry DOI: 10.7270/Q2736R3J
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50301431 (2-{4-[4-(5-Methoxy-1H-indol-3-yl)-piperidin-1-yl]-...) Show SMILES COc1ccc(cc1)-c1c2CCCCn2c(=O)n(CCCCN2CCC(CC2)c2c[nH]c3ccc(OC)cc23)c1=O Show InChI InChI=1S/C33H40N4O4/c1-40-25-10-8-24(9-11-25)31-30-7-3-4-17-36(30)33(39)37(32(31)38)18-6-5-16-35-19-14-23(15-20-35)28-22-34-29-13-12-26(41-2)21-27(28)29/h8-13,21-23,34H,3-7,14-20H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5-HT1A receptor in rat hippocampus				Eur J Med Chem 44: 4702-15 (2009) Article DOI: 10.1016/j.ejmech.2009.07.007 BindingDB Entry DOI: 10.7270/Q28C9W93
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM25876 (4,4-dimethyl-1-{4-[4-(quinolin-2-yl)piperazin-1-yl...) Show SMILES CC1(C)CC(=O)N(CCCCN2CCN(CC2)c2ccc3ccccc3n2)C(=O)C1 Show InChI InChI=1S/C24H32N4O2/c1-24(2)17-22(29)28(23(30)18-24)12-6-5-11-26-13-15-27(16-14-26)21-10-9-19-7-3-4-8-20(19)25-21/h3-4,7-10H,5-6,11-18H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Medicines Institute Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5HT1A receptor in cerebral cortex homogenates after 15 mins				Eur J Med Chem 49: 200-10 (2012) Article DOI: 10.1016/j.ejmech.2012.01.012 BindingDB Entry DOI: 10.7270/Q2K35V4Z
					More data for this Ligand-Target Pair
Thermolysin (Bacillus thermoproteolyticus)	BDBM50321113 (3-Phenyl-2-(trifluoromethyl)quinazolin-4(3H)-one |...) Show SMILES FC(F)(F)c1nc2ccccc2c(=O)n1-c1ccccc1 Show InChI InChI=1S/C15H9F3N2O/c16-15(17,18)14-19-12-9-5-4-8-11(12)13(21)20(14)10-6-2-1-3-7-10/h1-9H	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Troms£ Curated by ChEMBL					Assay Description Inhibition of Bacillus thermoproteolyticus thermolysin after 15 mins by microplate fluorescence analysis in presence of 0.5 to 2 mM substrate FaGLa				Bioorg Med Chem 18: 4317-27 (2010) Article DOI: 10.1016/j.bmc.2010.04.083 BindingDB Entry DOI: 10.7270/Q2QV3MP9
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM105214 (2-(4-Undecyl-piperazin-1-yl)-6-nitroquinoline (11)) Show SMILES CCCCCCCCCCCN1CCN(CC1)c1ccc2cc(ccc2n1)[N+]([O-])=O Show InChI InChI=1S/C24H36N4O2/c1-2-3-4-5-6-7-8-9-10-15-26-16-18-27(19-17-26)24-14-11-21-20-22(28(29)30)12-13-23(21)25-24/h11-14,20H,2-10,15-19H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	12.6	-45.1	n/a	n/a	n/a	n/a	n/a	7.7	25
University of Troms£					Assay Description The assay was performed in accordance with the method described by Owens et al. with slight modifications. Rat cerebral cortex was homogenized in 30...				Chem Biol Drug Des 81: 695-706 (2013) Article DOI: 10.1111/cbdd.12116 BindingDB Entry DOI: 10.7270/Q2542M7W
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM25869 (2-{4-[2-methyl-4-(quinolin-2-yl)piperazin-1-yl]but...) Show SMILES CC1CN(CCN1CCCCN1C(=O)c2ccccc2C1=O)c1ccc2ccccc2n1 Show InChI InChI=1S/C26H28N4O2/c1-19-18-29(24-13-12-20-8-2-5-11-23(20)27-24)17-16-28(19)14-6-7-15-30-25(31)21-9-3-4-10-22(21)26(30)32/h2-5,8-13,19H,6-7,14-18H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Medicines Institute Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5HT1A receptor in cerebral cortex homogenates after 15 mins				Eur J Med Chem 49: 200-10 (2012) Article DOI: 10.1016/j.ejmech.2012.01.012 BindingDB Entry DOI: 10.7270/Q2K35V4Z
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50301442 (4-(4-Fluoro-phenyl)-2-{4-[4-(5-methoxy-1H-indol-3-...) Show SMILES COc1ccc2[nH]cc(C3CCN(CCCCn4c(=O)c(-c5ccc(F)cc5)c5CCCCn5c4=O)CC3)c2c1 Show InChI InChI=1S/C32H37FN4O3/c1-40-25-11-12-28-26(20-25)27(21-34-28)22-13-18-35(19-14-22)15-4-5-17-37-31(38)30(23-7-9-24(33)10-8-23)29-6-2-3-16-36(29)32(37)39/h7-12,20-22,34H,2-6,13-19H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5-HT1A receptor in rat hippocampus				Eur J Med Chem 44: 4702-15 (2009) Article DOI: 10.1016/j.ejmech.2009.07.007 BindingDB Entry DOI: 10.7270/Q28C9W93
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50301429 (4-(4-Chloro-phenyl)-2-{4-[4-(5-methoxy-1H-indol-3-...) Show SMILES COc1ccc2[nH]cc(C3CCN(CCCCn4c(=O)c(-c5ccc(Cl)cc5)c5CCCCn5c4=O)CC3)c2c1 Show InChI InChI=1S/C32H37ClN4O3/c1-40-25-11-12-28-26(20-25)27(21-34-28)22-13-18-35(19-14-22)15-4-5-17-37-31(38)30(23-7-9-24(33)10-8-23)29-6-2-3-16-36(29)32(37)39/h7-12,20-22,34H,2-6,13-19H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5-HT1A receptor in rat hippocampus				Eur J Med Chem 44: 4702-15 (2009) Article DOI: 10.1016/j.ejmech.2009.07.007 BindingDB Entry DOI: 10.7270/Q28C9W93
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50363815 (CHEMBL1945686) Show SMILES CC1CN(CCN1CCCCN1C(=O)CC(C)(C)CC1=O)c1ccc2ccccc2n1 Show InChI InChI=1S/C25H34N4O2/c1-19-18-28(22-11-10-20-8-4-5-9-21(20)26-22)15-14-27(19)12-6-7-13-29-23(30)16-25(2,3)17-24(29)31/h4-5,8-11,19H,6-7,12-18H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Medicines Institute Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5HT1A receptor in cerebral cortex homogenates after 15 mins				Eur J Med Chem 49: 200-10 (2012) Article DOI: 10.1016/j.ejmech.2012.01.012 BindingDB Entry DOI: 10.7270/Q2K35V4Z
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM105215 (2-(4-Dodecyl-piperazin-1-yl)-6-nitroquinoline (12)) Show SMILES CCCCCCCCCCCCN1CCN(CC1)c1ccc2cc(ccc2n1)[N+]([O-])=O Show InChI InChI=1S/C25H38N4O2/c1-2-3-4-5-6-7-8-9-10-11-16-27-17-19-28(20-18-27)25-15-12-22-21-23(29(30)31)13-14-24(22)26-25/h12-15,21H,2-11,16-20H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	16.1	-44.5	n/a	n/a	n/a	n/a	n/a	7.7	25
University of Troms£					Assay Description The assay was performed in accordance with the method described by Owens et al. with slight modifications. Rat cerebral cortex was homogenized in 30...				Chem Biol Drug Des 81: 695-706 (2013) Article DOI: 10.1111/cbdd.12116 BindingDB Entry DOI: 10.7270/Q2542M7W
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50301432 (2-{4-[4-(1H-Indol-3-yl)-piperidin-1-yl]-butyl}-4-(...) Show SMILES COc1ccc(cc1)-c1c2CCCCn2c(=O)n(CCCCN2CCC(CC2)c2c[nH]c3ccccc23)c1=O Show InChI InChI=1S/C32H38N4O3/c1-39-25-13-11-24(12-14-25)30-29-10-4-5-18-35(29)32(38)36(31(30)37)19-7-6-17-34-20-15-23(16-21-34)27-22-33-28-9-3-2-8-26(27)28/h2-3,8-9,11-14,22-23,33H,4-7,10,15-21H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5-HT1A receptor in rat hippocampus				Eur J Med Chem 44: 4702-15 (2009) Article DOI: 10.1016/j.ejmech.2009.07.007 BindingDB Entry DOI: 10.7270/Q28C9W93
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM105211 (2-(4-Octyl-piperazin-1-yl)-6-nitroquinoline (8)) Show SMILES CCCCCCCCN1CCN(CC1)c1ccc2cc(ccc2n1)[N+]([O-])=O Show InChI InChI=1S/C21H30N4O2/c1-2-3-4-5-6-7-12-23-13-15-24(16-14-23)21-11-8-18-17-19(25(26)27)9-10-20(18)22-21/h8-11,17H,2-7,12-16H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	20.8	-43.8	n/a	n/a	n/a	n/a	n/a	7.7	25
University of Troms£					Assay Description The assay was performed in accordance with the method described by Owens et al. with slight modifications. Rat cerebral cortex was homogenized in 30...				Chem Biol Drug Des 81: 695-706 (2013) Article DOI: 10.1111/cbdd.12116 BindingDB Entry DOI: 10.7270/Q2542M7W
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50301446 (2-{4-[4-(5-Methoxy-1H-indol-3-yl)-piperidin-1-yl]-...) Show SMILES COc1ccc2[nH]cc(C3CCN(CCCCn4c(=O)c(-c5ccc(C)cc5)c5CCCCn5c4=O)CC3)c2c1 Show InChI InChI=1S/C33H40N4O3/c1-23-8-10-25(11-9-23)31-30-7-3-4-17-36(30)33(39)37(32(31)38)18-6-5-16-35-19-14-24(15-20-35)28-22-34-29-13-12-26(40-2)21-27(28)29/h8-13,21-22,24,34H,3-7,14-20H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5-HT1A receptor in rat hippocampus				Eur J Med Chem 44: 4702-15 (2009) Article DOI: 10.1016/j.ejmech.2009.07.007 BindingDB Entry DOI: 10.7270/Q28C9W93
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM105207 (2-(4-Butyl-piperazin-1-yl)-6-nitroquinoline (4)) Show SMILES CCCCN1CCN(CC1)c1ccc2cc(ccc2n1)[N+]([O-])=O Show InChI InChI=1S/C17H22N4O2/c1-2-3-8-19-9-11-20(12-10-19)17-7-4-14-13-15(21(22)23)5-6-16(14)18-17/h4-7,13H,2-3,8-12H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	24	-43.5	n/a	n/a	n/a	n/a	n/a	7.7	25
University of Troms£					Assay Description The assay was performed in accordance with the method described by Owens et al. with slight modifications. Rat cerebral cortex was homogenized in 30...				Chem Biol Drug Des 81: 695-706 (2013) Article DOI: 10.1111/cbdd.12116 BindingDB Entry DOI: 10.7270/Q2542M7W
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM25873 (8-{4-[2-methyl-4-(quinolin-2-yl)piperazin-1-yl]but...) Show SMILES CC1CN(CCN1CCCCN1C(=O)CC2(CCCC2)CC1=O)c1ccc2ccccc2n1 Show InChI InChI=1S/C27H36N4O2/c1-21-20-30(24-11-10-22-8-2-3-9-23(22)28-24)17-16-29(21)14-6-7-15-31-25(32)18-27(19-26(31)33)12-4-5-13-27/h2-3,8-11,21H,4-7,12-20H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Medicines Institute Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5HT1A receptor in cerebral cortex homogenates after 15 mins				Eur J Med Chem 49: 200-10 (2012) Article DOI: 10.1016/j.ejmech.2012.01.012 BindingDB Entry DOI: 10.7270/Q2K35V4Z
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50301445 (4-(2-Fluoro-phenyl)-2-{4-[4-(1H-indol-3-yl)-piperi...) Show SMILES Fc1ccccc1-c1c2CCCCn2c(=O)n(CCCCN2CCC(CC2)c2c[nH]c3ccccc23)c1=O |(-1.48,-44.82,;-2.82,-44.05,;-2.82,-42.5,;-4.16,-41.74,;-5.49,-42.51,;-5.49,-44.05,;-4.16,-44.82,;-4.16,-46.36,;-5.49,-47.13,;-6.81,-46.36,;-8.14,-47.12,;-8.15,-48.65,;-6.82,-49.43,;-5.5,-48.66,;-4.17,-49.44,;-4.18,-50.98,;-2.83,-48.68,;-1.5,-49.45,;-.16,-48.69,;1.17,-49.47,;2.5,-48.7,;3.83,-49.48,;3.81,-51.01,;5.14,-51.79,;6.48,-51.03,;6.49,-49.49,;5.16,-48.71,;7.8,-51.82,;7.96,-53.35,;9.46,-53.68,;10.24,-52.36,;11.74,-52.06,;12.24,-50.6,;11.21,-49.44,;9.71,-49.75,;9.22,-51.2,;-2.82,-47.13,;-1.49,-46.36,)| Show InChI InChI=1S/C31H35FN4O2/c32-26-11-3-1-10-24(26)29-28-13-5-6-17-35(28)31(38)36(30(29)37)18-8-7-16-34-19-14-22(15-20-34)25-21-33-27-12-4-2-9-23(25)27/h1-4,9-12,21-22,33H,5-8,13-20H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5-HT1A receptor in rat hippocampus				Eur J Med Chem 44: 4702-15 (2009) Article DOI: 10.1016/j.ejmech.2009.07.007 BindingDB Entry DOI: 10.7270/Q28C9W93
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50014407 (2-(piperazin-1-yl)quinoline | 2-Piperazin-1-yl-qui...) Show SMILES C1CN(CCN1)c1ccc2ccccc2n1 Show InChI InChI=1S/C13H15N3/c1-2-4-12-11(3-1)5-6-13(15-12)16-9-7-14-8-10-16/h1-6,14H,7-10H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Medicines Institute Curated by ChEMBL					Assay Description Displacement of [3H]-5HT from human SERT				Eur J Med Chem 49: 200-10 (2012) Article DOI: 10.1016/j.ejmech.2012.01.012 BindingDB Entry DOI: 10.7270/Q2K35V4Z
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50315963 (1-(2-chlorobenzyloxy)-3-((2,3-dihydrobenzo[b][1,4]...) Show SMILES OC(CNCC1COc2ccccc2O1)COCc1ccccc1Cl Show InChI InChI=1S/C19H22ClNO4/c20-17-6-2-1-5-14(17)11-23-12-15(22)9-21-10-16-13-24-18-7-3-4-8-19(18)25-16/h1-8,15-16,21-22H,9-13H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Polish Academy of Sciences Curated by ChEMBL					Assay Description Binding affinity at 5HT1A receptor				Bioorg Med Chem Lett 20: 2465-8 (2010) Article DOI: 10.1016/j.bmcl.2010.03.012 BindingDB Entry DOI: 10.7270/Q2736R3J
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50301441 (4-(2-Chloro-phenyl)-2-{4-[4-(1H-indol-3-yl)-piperi...) Show SMILES Clc1ccccc1-c1c2CCCCn2c(=O)n(CCCCN2CCC(CC2)c2c[nH]c3ccccc23)c1=O |(-4.37,-5.8,;-5.71,-5.03,;-5.71,-3.48,;-7.05,-2.72,;-8.38,-3.49,;-8.38,-5.04,;-7.05,-5.81,;-7.05,-7.35,;-8.39,-8.11,;-9.7,-7.35,;-11.03,-8.1,;-11.04,-9.64,;-9.71,-10.41,;-8.39,-9.65,;-7.06,-10.42,;-7.07,-11.96,;-5.72,-9.66,;-4.39,-10.44,;-3.06,-9.67,;-1.73,-10.45,;-.39,-9.69,;.94,-10.46,;.92,-12,;2.24,-12.77,;3.59,-12.02,;3.6,-10.48,;2.27,-9.69,;4.91,-12.8,;5.07,-14.33,;6.57,-14.66,;7.35,-13.34,;8.85,-13.04,;9.35,-11.58,;8.32,-10.43,;6.82,-10.73,;6.33,-12.18,;-5.71,-8.11,;-4.38,-7.35,)| Show InChI InChI=1S/C31H35ClN4O2/c32-26-11-3-1-10-24(26)29-28-13-5-6-17-35(28)31(38)36(30(29)37)18-8-7-16-34-19-14-22(15-20-34)25-21-33-27-12-4-2-9-23(25)27/h1-4,9-12,21-22,33H,5-8,13-20H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	36.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5-HT1A receptor in rat hippocampus				Eur J Med Chem 44: 4702-15 (2009) Article DOI: 10.1016/j.ejmech.2009.07.007 BindingDB Entry DOI: 10.7270/Q28C9W93
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM25871 (1-{4-[2-methyl-4-(quinolin-2-yl)piperazin-1-yl]but...) Show SMILES CC1CN(CCN1CCCCN1C(=O)CCCC1=O)c1ccc2ccccc2n1 Show InChI InChI=1S/C23H30N4O2/c1-18-17-26(21-12-11-19-7-2-3-8-20(19)24-21)16-15-25(18)13-4-5-14-27-22(28)9-6-10-23(27)29/h2-3,7-8,11-12,18H,4-6,9-10,13-17H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Medicines Institute Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5HT1A receptor in cerebral cortex homogenates after 15 mins				Eur J Med Chem 49: 200-10 (2012) Article DOI: 10.1016/j.ejmech.2012.01.012 BindingDB Entry DOI: 10.7270/Q2K35V4Z
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM25875 (8-{4-[4-(quinolin-2-yl)piperazin-1-yl]butyl}-8-aza...) Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ccc2ccccc2n1 Show InChI InChI=1S/C26H34N4O2/c31-24-19-26(11-3-4-12-26)20-25(32)30(24)14-6-5-13-28-15-17-29(18-16-28)23-10-9-21-7-1-2-8-22(21)27-23/h1-2,7-10H,3-6,11-20H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Medicines Institute Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5HT1A receptor in cerebral cortex homogenates after 15 mins				Eur J Med Chem 49: 200-10 (2012) Article DOI: 10.1016/j.ejmech.2012.01.012 BindingDB Entry DOI: 10.7270/Q2K35V4Z
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM25874 (2-{4-[4-(quinolin-2-yl)piperazin-1-yl]butyl}-2,3-d...) Show SMILES O=C1N(CCCCN2CCN(CC2)c2ccc3ccccc3n2)C(=O)c2ccccc12 Show InChI InChI=1S/C25H26N4O2/c30-24-20-8-2-3-9-21(20)25(31)29(24)14-6-5-13-27-15-17-28(18-16-27)23-12-11-19-7-1-4-10-22(19)26-23/h1-4,7-12H,5-6,13-18H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Medicines Institute Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5HT1A receptor in cerebral cortex homogenates after 15 mins				Eur J Med Chem 49: 200-10 (2012) Article DOI: 10.1016/j.ejmech.2012.01.012 BindingDB Entry DOI: 10.7270/Q2K35V4Z
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50301430 (4-(2-Fluoro-phenyl)-2-{4-[4-(5-methoxy-1H-indol-3-...) Show SMILES COc1ccc2[nH]cc(C3CCN(CCCCn4c(=O)c(c5CCCCn5c4=O)-c4ccccc4F)CC3)c2c1 |(34.52,-24.97,;33.01,-25.27,;32.53,-26.73,;33.55,-27.89,;33.06,-29.35,;31.55,-29.65,;30.77,-30.97,;29.27,-30.64,;29.12,-29.11,;27.79,-28.32,;26.45,-29.08,;25.13,-28.3,;25.14,-26.77,;23.82,-25.99,;22.48,-26.76,;21.15,-25.98,;19.81,-26.74,;18.48,-25.97,;18.49,-24.42,;19.83,-23.65,;17.16,-23.65,;15.82,-24.42,;14.5,-23.65,;13.17,-24.41,;13.17,-25.94,;14.49,-26.72,;15.81,-25.95,;17.14,-26.73,;17.13,-28.27,;17.15,-22.11,;15.82,-21.34,;15.83,-19.8,;17.15,-19.03,;18.49,-19.79,;18.5,-21.34,;19.83,-22.11,;26.47,-26,;27.8,-26.78,;30.54,-28.49,;31.02,-27.04,)| Show InChI InChI=1S/C32H37FN4O3/c1-40-23-11-12-28-25(20-23)26(21-34-28)22-13-18-35(19-14-22)15-6-7-17-37-31(38)30(24-8-2-3-9-27(24)33)29-10-4-5-16-36(29)32(37)39/h2-3,8-9,11-12,20-22,34H,4-7,10,13-19H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	45.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5-HT1A receptor in rat hippocampus				Eur J Med Chem 44: 4702-15 (2009) Article DOI: 10.1016/j.ejmech.2009.07.007 BindingDB Entry DOI: 10.7270/Q28C9W93
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50301428 (2-{4-[4-(1H-Indol-3-yl)-piperidin-1-yl]-butyl}-4-p...) Show SMILES Cc1ccc(cc1)-c1c2CCCCn2c(=O)n(CCCCN2CCC(CC2)c2c[nH]c3ccccc23)c1=O Show InChI InChI=1S/C32H38N4O2/c1-23-11-13-25(14-12-23)30-29-10-4-5-18-35(29)32(38)36(31(30)37)19-7-6-17-34-20-15-24(16-21-34)27-22-33-28-9-3-2-8-26(27)28/h2-3,8-9,11-14,22,24,33H,4-7,10,15-21H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	48.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5-HT1A receptor in rat hippocampus				Eur J Med Chem 44: 4702-15 (2009) Article DOI: 10.1016/j.ejmech.2009.07.007 BindingDB Entry DOI: 10.7270/Q28C9W93
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50301443 (2-{4-[4-(5-Methoxy-1H-indol-3-yl)-piperidin-1-yl]-...) Show SMILES COc1ccc2[nH]cc(C3CCN(CCCCn4c(=O)c(c5CCCCn5c4=O)-c4ccccc4C)CC3)c2c1 |(9.86,1.66,;8.35,1.35,;7.86,-.11,;8.88,-1.26,;8.39,-2.72,;6.88,-3.02,;6.11,-4.34,;4.61,-4.01,;4.45,-2.48,;3.12,-1.7,;1.78,-2.46,;.46,-1.68,;.48,-.14,;-.85,.63,;-2.19,-.13,;-3.52,.65,;-4.86,-.12,;-6.19,.66,;-6.18,2.2,;-4.84,2.97,;-7.51,2.97,;-8.85,2.21,;-10.16,2.97,;-11.5,2.22,;-11.5,.68,;-10.18,-.09,;-8.85,.67,;-7.52,-.11,;-7.53,-1.65,;-7.51,4.51,;-8.84,5.28,;-8.84,6.83,;-7.52,7.6,;-6.18,6.83,;-6.17,5.28,;-4.84,4.51,;1.8,.63,;3.13,-.16,;5.87,-1.86,;6.36,-.41,)| Show InChI InChI=1S/C33H40N4O3/c1-23-9-3-4-10-26(23)31-30-11-5-6-17-36(30)33(39)37(32(31)38)18-8-7-16-35-19-14-24(15-20-35)28-22-34-29-13-12-25(40-2)21-27(28)29/h3-4,9-10,12-13,21-22,24,34H,5-8,11,14-20H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	51.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5-HT1A receptor in rat hippocampus				Eur J Med Chem 44: 4702-15 (2009) Article DOI: 10.1016/j.ejmech.2009.07.007 BindingDB Entry DOI: 10.7270/Q28C9W93
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50301444 (2-{4-[4-(1H-Indol-3-yl)-piperidin-1-yl]-butyl}-4-o...) Show SMILES Cc1ccccc1-c1c2CCCCn2c(=O)n(CCCCN2CCC(CC2)c2c[nH]c3ccccc23)c1=O |(21.59,-46.69,;20.25,-45.92,;20.25,-44.37,;18.9,-43.61,;17.58,-44.38,;17.58,-45.93,;18.91,-46.7,;18.91,-48.24,;17.57,-49,;16.26,-48.24,;14.93,-48.99,;14.92,-50.53,;16.25,-51.3,;17.57,-50.54,;18.9,-51.32,;18.89,-52.86,;20.24,-50.55,;21.57,-51.33,;22.9,-50.56,;24.23,-51.34,;25.57,-50.58,;26.9,-51.35,;26.88,-52.89,;28.2,-53.66,;29.55,-52.91,;29.56,-51.37,;28.23,-50.58,;30.87,-53.69,;31.03,-55.22,;32.53,-55.55,;33.31,-54.23,;34.81,-53.93,;35.31,-52.47,;34.28,-51.32,;32.78,-51.62,;32.29,-53.07,;20.24,-49,;21.58,-48.24,)| Show InChI InChI=1S/C32H38N4O2/c1-23-10-2-3-11-25(23)30-29-14-6-7-18-35(29)32(38)36(31(30)37)19-9-8-17-34-20-15-24(16-21-34)27-22-33-28-13-5-4-12-26(27)28/h2-5,10-13,22,24,33H,6-9,14-21H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	53.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5-HT1A receptor in rat hippocampus				Eur J Med Chem 44: 4702-15 (2009) Article DOI: 10.1016/j.ejmech.2009.07.007 BindingDB Entry DOI: 10.7270/Q28C9W93
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM105210 (2-(4-Heptyl-piperazin-1-yl)-6-nitroquinoline (7)) Show SMILES CCCCCCCN1CCN(CC1)c1ccc2cc(ccc2n1)[N+]([O-])=O Show InChI InChI=1S/C20H28N4O2/c1-2-3-4-5-6-11-22-12-14-23(15-13-22)20-10-7-17-16-18(24(25)26)8-9-19(17)21-20/h7-10,16H,2-6,11-15H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	54.1	-41.5	n/a	n/a	n/a	n/a	n/a	7.7	25
University of Troms£					Assay Description The assay was performed in accordance with the method described by Owens et al. with slight modifications. Rat cerebral cortex was homogenized in 30...				Chem Biol Drug Des 81: 695-706 (2013) Article DOI: 10.1111/cbdd.12116 BindingDB Entry DOI: 10.7270/Q2542M7W
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50301432 (2-{4-[4-(1H-Indol-3-yl)-piperidin-1-yl]-butyl}-4-(...) Show SMILES COc1ccc(cc1)-c1c2CCCCn2c(=O)n(CCCCN2CCC(CC2)c2c[nH]c3ccccc23)c1=O Show InChI InChI=1S/C32H38N4O3/c1-39-25-13-11-24(12-14-25)30-29-10-4-5-18-35(29)32(38)36(31(30)37)19-7-6-17-34-20-15-23(16-21-34)27-22-33-28-9-3-2-8-26(27)28/h2-3,8-9,11-14,22-23,33H,4-7,10,15-21H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	71.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT in rat cerebral cortex by liquid scintillation counting				Eur J Med Chem 44: 4702-15 (2009) Article DOI: 10.1016/j.ejmech.2009.07.007 BindingDB Entry DOI: 10.7270/Q28C9W93
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM105209 (2-(4-Hexyl-piperazin-1-yl)-6-nitroquinoline (6)) Show SMILES CCCCCCN1CCN(CC1)c1ccc2cc(ccc2n1)[N+]([O-])=O Show InChI InChI=1S/C19H26N4O2/c1-2-3-4-5-10-21-11-13-22(14-12-21)19-9-6-16-15-17(23(24)25)7-8-18(16)20-19/h6-9,15H,2-5,10-14H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	72.9	-40.7	n/a	n/a	n/a	n/a	n/a	7.7	25
University of Troms£					Assay Description The assay was performed in accordance with the method described by Owens et al. with slight modifications. Rat cerebral cortex was homogenized in 30...				Chem Biol Drug Des 81: 695-706 (2013) Article DOI: 10.1111/cbdd.12116 BindingDB Entry DOI: 10.7270/Q2542M7W
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50301442 (4-(4-Fluoro-phenyl)-2-{4-[4-(5-methoxy-1H-indol-3-...) Show SMILES COc1ccc2[nH]cc(C3CCN(CCCCn4c(=O)c(-c5ccc(F)cc5)c5CCCCn5c4=O)CC3)c2c1 Show InChI InChI=1S/C32H37FN4O3/c1-40-25-11-12-28-26(20-25)27(21-34-28)22-13-18-35(19-14-22)15-4-5-17-37-31(38)30(23-7-9-24(33)10-8-23)29-6-2-3-16-36(29)32(37)39/h7-12,20-22,34H,2-6,13-19H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	76.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT in rat cerebral cortex by liquid scintillation counting				Eur J Med Chem 44: 4702-15 (2009) Article DOI: 10.1016/j.ejmech.2009.07.007 BindingDB Entry DOI: 10.7270/Q28C9W93
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50301428 (2-{4-[4-(1H-Indol-3-yl)-piperidin-1-yl]-butyl}-4-p...) Show SMILES Cc1ccc(cc1)-c1c2CCCCn2c(=O)n(CCCCN2CCC(CC2)c2c[nH]c3ccccc23)c1=O Show InChI InChI=1S/C32H38N4O2/c1-23-11-13-25(14-12-23)30-29-10-4-5-18-35(29)32(38)36(31(30)37)19-7-6-17-34-20-15-24(16-21-34)27-22-33-28-9-3-2-8-26(27)28/h2-3,8-9,11-14,22,24,33H,4-7,10,15-21H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	76.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT in rat cerebral cortex by liquid scintillation counting				Eur J Med Chem 44: 4702-15 (2009) Article DOI: 10.1016/j.ejmech.2009.07.007 BindingDB Entry DOI: 10.7270/Q28C9W93
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM105208 (2-(4-Pentyl-piperazin-1-yl)-6-nitroquinoline (5)) Show SMILES CCCCCN1CCN(CC1)c1ccc2cc(ccc2n1)[N+]([O-])=O Show InChI InChI=1S/C18H24N4O2/c1-2-3-4-9-20-10-12-21(13-11-20)18-8-5-15-14-16(22(23)24)6-7-17(15)19-18/h5-8,14H,2-4,9-13H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	80.5	-40.5	n/a	n/a	n/a	n/a	n/a	7.7	25
University of Troms£					Assay Description The assay was performed in accordance with the method described by Owens et al. with slight modifications. Rat cerebral cortex was homogenized in 30...				Chem Biol Drug Des 81: 695-706 (2013) Article DOI: 10.1111/cbdd.12116 BindingDB Entry DOI: 10.7270/Q2542M7W
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50301431 (2-{4-[4-(5-Methoxy-1H-indol-3-yl)-piperidin-1-yl]-...) Show SMILES COc1ccc(cc1)-c1c2CCCCn2c(=O)n(CCCCN2CCC(CC2)c2c[nH]c3ccc(OC)cc23)c1=O Show InChI InChI=1S/C33H40N4O4/c1-40-25-10-8-24(9-11-25)31-30-7-3-4-17-36(30)33(39)37(32(31)38)18-6-5-16-35-19-14-23(15-20-35)28-22-34-29-13-12-26(41-2)21-27(28)29/h8-13,21-23,34H,3-7,14-20H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	83.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT in rat cerebral cortex by liquid scintillation counting				Eur J Med Chem 44: 4702-15 (2009) Article DOI: 10.1016/j.ejmech.2009.07.007 BindingDB Entry DOI: 10.7270/Q28C9W93
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM105205 (2-(4-Ethyl-piperazin-1-yl)-6-nitroquinoline (2)) Show SMILES CCN1CCN(CC1)c1ccc2cc(ccc2n1)[N+]([O-])=O Show InChI InChI=1S/C15H18N4O2/c1-2-17-7-9-18(10-8-17)15-6-3-12-11-13(19(20)21)4-5-14(12)16-15/h3-6,11H,2,7-10H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	86.1	-40.3	n/a	n/a	n/a	n/a	n/a	7.7	25
University of Troms£					Assay Description The assay was performed in accordance with the method described by Owens et al. with slight modifications. Rat cerebral cortex was homogenized in 30...				Chem Biol Drug Des 81: 695-706 (2013) Article DOI: 10.1111/cbdd.12116 BindingDB Entry DOI: 10.7270/Q2542M7W
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50301441 (4-(2-Chloro-phenyl)-2-{4-[4-(1H-indol-3-yl)-piperi...) Show SMILES Clc1ccccc1-c1c2CCCCn2c(=O)n(CCCCN2CCC(CC2)c2c[nH]c3ccccc23)c1=O |(-4.37,-5.8,;-5.71,-5.03,;-5.71,-3.48,;-7.05,-2.72,;-8.38,-3.49,;-8.38,-5.04,;-7.05,-5.81,;-7.05,-7.35,;-8.39,-8.11,;-9.7,-7.35,;-11.03,-8.1,;-11.04,-9.64,;-9.71,-10.41,;-8.39,-9.65,;-7.06,-10.42,;-7.07,-11.96,;-5.72,-9.66,;-4.39,-10.44,;-3.06,-9.67,;-1.73,-10.45,;-.39,-9.69,;.94,-10.46,;.92,-12,;2.24,-12.77,;3.59,-12.02,;3.6,-10.48,;2.27,-9.69,;4.91,-12.8,;5.07,-14.33,;6.57,-14.66,;7.35,-13.34,;8.85,-13.04,;9.35,-11.58,;8.32,-10.43,;6.82,-10.73,;6.33,-12.18,;-5.71,-8.11,;-4.38,-7.35,)| Show InChI InChI=1S/C31H35ClN4O2/c32-26-11-3-1-10-24(26)29-28-13-5-6-17-35(28)31(38)36(30(29)37)18-8-7-16-34-19-14-22(15-20-34)25-21-33-27-12-4-2-9-23(25)27/h1-4,9-12,21-22,33H,5-8,13-20H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	101	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT in rat cerebral cortex by liquid scintillation counting				Eur J Med Chem 44: 4702-15 (2009) Article DOI: 10.1016/j.ejmech.2009.07.007 BindingDB Entry DOI: 10.7270/Q28C9W93
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50301445 (4-(2-Fluoro-phenyl)-2-{4-[4-(1H-indol-3-yl)-piperi...) Show SMILES Fc1ccccc1-c1c2CCCCn2c(=O)n(CCCCN2CCC(CC2)c2c[nH]c3ccccc23)c1=O |(-1.48,-44.82,;-2.82,-44.05,;-2.82,-42.5,;-4.16,-41.74,;-5.49,-42.51,;-5.49,-44.05,;-4.16,-44.82,;-4.16,-46.36,;-5.49,-47.13,;-6.81,-46.36,;-8.14,-47.12,;-8.15,-48.65,;-6.82,-49.43,;-5.5,-48.66,;-4.17,-49.44,;-4.18,-50.98,;-2.83,-48.68,;-1.5,-49.45,;-.16,-48.69,;1.17,-49.47,;2.5,-48.7,;3.83,-49.48,;3.81,-51.01,;5.14,-51.79,;6.48,-51.03,;6.49,-49.49,;5.16,-48.71,;7.8,-51.82,;7.96,-53.35,;9.46,-53.68,;10.24,-52.36,;11.74,-52.06,;12.24,-50.6,;11.21,-49.44,;9.71,-49.75,;9.22,-51.2,;-2.82,-47.13,;-1.49,-46.36,)| Show InChI InChI=1S/C31H35FN4O2/c32-26-11-3-1-10-24(26)29-28-13-5-6-17-35(28)31(38)36(30(29)37)18-8-7-16-34-19-14-22(15-20-34)25-21-33-27-12-4-2-9-23(25)27/h1-4,9-12,21-22,33H,5-8,13-20H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	102	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT in rat cerebral cortex by liquid scintillation counting				Eur J Med Chem 44: 4702-15 (2009) Article DOI: 10.1016/j.ejmech.2009.07.007 BindingDB Entry DOI: 10.7270/Q28C9W93
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50301437 (2-{4-[4-(2-Methyl-1H-indol-3-yl)-piperidin-1-yl]-b...) Show SMILES Cc1[nH]c2ccccc2c1C1CCN(CCCCn2c(=O)c(-c3ccc(C)cc3)c3CCCCn3c2=O)CC1 Show InChI InChI=1S/C33H40N4O2/c1-23-12-14-25(15-13-23)31-29-11-5-6-19-36(29)33(39)37(32(31)38)20-8-7-18-35-21-16-26(17-22-35)30-24(2)34-28-10-4-3-9-27(28)30/h3-4,9-10,12-15,26,34H,5-8,11,16-22H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	115	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT in rat cerebral cortex by liquid scintillation counting				Eur J Med Chem 44: 4702-15 (2009) Article DOI: 10.1016/j.ejmech.2009.07.007 BindingDB Entry DOI: 10.7270/Q28C9W93
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50301433 (4-(4-Fluoro-phenyl)-2-{4-[4-(2-methyl-1H-indol-3-y...) Show SMILES Cc1[nH]c2ccccc2c1C1CCN(CCCCn2c(=O)c(-c3ccc(F)cc3)c3CCCCn3c2=O)CC1 Show InChI InChI=1S/C32H37FN4O2/c1-22-29(26-8-2-3-9-27(26)34-22)24-15-20-35(21-16-24)17-6-7-19-37-31(38)30(23-11-13-25(33)14-12-23)28-10-4-5-18-36(28)32(37)39/h2-3,8-9,11-14,24,34H,4-7,10,15-21H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	116	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT in rat cerebral cortex by liquid scintillation counting				Eur J Med Chem 44: 4702-15 (2009) Article DOI: 10.1016/j.ejmech.2009.07.007 BindingDB Entry DOI: 10.7270/Q28C9W93
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50301444 (2-{4-[4-(1H-Indol-3-yl)-piperidin-1-yl]-butyl}-4-o...) Show SMILES Cc1ccccc1-c1c2CCCCn2c(=O)n(CCCCN2CCC(CC2)c2c[nH]c3ccccc23)c1=O |(21.59,-46.69,;20.25,-45.92,;20.25,-44.37,;18.9,-43.61,;17.58,-44.38,;17.58,-45.93,;18.91,-46.7,;18.91,-48.24,;17.57,-49,;16.26,-48.24,;14.93,-48.99,;14.92,-50.53,;16.25,-51.3,;17.57,-50.54,;18.9,-51.32,;18.89,-52.86,;20.24,-50.55,;21.57,-51.33,;22.9,-50.56,;24.23,-51.34,;25.57,-50.58,;26.9,-51.35,;26.88,-52.89,;28.2,-53.66,;29.55,-52.91,;29.56,-51.37,;28.23,-50.58,;30.87,-53.69,;31.03,-55.22,;32.53,-55.55,;33.31,-54.23,;34.81,-53.93,;35.31,-52.47,;34.28,-51.32,;32.78,-51.62,;32.29,-53.07,;20.24,-49,;21.58,-48.24,)| Show InChI InChI=1S/C32H38N4O2/c1-23-10-2-3-11-25(23)30-29-14-6-7-18-35(29)32(38)36(31(30)37)19-9-8-17-34-20-15-24(16-21-34)27-22-33-28-13-5-4-12-26(27)28/h2-5,10-13,22,24,33H,6-9,14-21H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	124	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT in rat cerebral cortex by liquid scintillation counting				Eur J Med Chem 44: 4702-15 (2009) Article DOI: 10.1016/j.ejmech.2009.07.007 BindingDB Entry DOI: 10.7270/Q28C9W93
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50301443 (2-{4-[4-(5-Methoxy-1H-indol-3-yl)-piperidin-1-yl]-...) Show SMILES COc1ccc2[nH]cc(C3CCN(CCCCn4c(=O)c(c5CCCCn5c4=O)-c4ccccc4C)CC3)c2c1 |(9.86,1.66,;8.35,1.35,;7.86,-.11,;8.88,-1.26,;8.39,-2.72,;6.88,-3.02,;6.11,-4.34,;4.61,-4.01,;4.45,-2.48,;3.12,-1.7,;1.78,-2.46,;.46,-1.68,;.48,-.14,;-.85,.63,;-2.19,-.13,;-3.52,.65,;-4.86,-.12,;-6.19,.66,;-6.18,2.2,;-4.84,2.97,;-7.51,2.97,;-8.85,2.21,;-10.16,2.97,;-11.5,2.22,;-11.5,.68,;-10.18,-.09,;-8.85,.67,;-7.52,-.11,;-7.53,-1.65,;-7.51,4.51,;-8.84,5.28,;-8.84,6.83,;-7.52,7.6,;-6.18,6.83,;-6.17,5.28,;-4.84,4.51,;1.8,.63,;3.13,-.16,;5.87,-1.86,;6.36,-.41,)| Show InChI InChI=1S/C33H40N4O3/c1-23-9-3-4-10-26(23)31-30-11-5-6-17-36(30)33(39)37(32(31)38)18-8-7-16-35-19-14-24(15-20-35)28-22-34-29-13-12-25(40-2)21-27(28)29/h3-4,9-10,12-13,21-22,24,34H,5-8,11,14-20H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	124	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT in rat cerebral cortex by liquid scintillation counting				Eur J Med Chem 44: 4702-15 (2009) Article DOI: 10.1016/j.ejmech.2009.07.007 BindingDB Entry DOI: 10.7270/Q28C9W93
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50301446 (2-{4-[4-(5-Methoxy-1H-indol-3-yl)-piperidin-1-yl]-...) Show SMILES COc1ccc2[nH]cc(C3CCN(CCCCn4c(=O)c(-c5ccc(C)cc5)c5CCCCn5c4=O)CC3)c2c1 Show InChI InChI=1S/C33H40N4O3/c1-23-8-10-25(11-9-23)31-30-7-3-4-17-36(30)33(39)37(32(31)38)18-6-5-16-35-19-14-24(15-20-35)28-22-34-29-13-12-26(40-2)21-27(28)29/h8-13,21-22,24,34H,3-7,14-20H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	136	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT in rat cerebral cortex by liquid scintillation counting				Eur J Med Chem 44: 4702-15 (2009) Article DOI: 10.1016/j.ejmech.2009.07.007 BindingDB Entry DOI: 10.7270/Q28C9W93
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50301430 (4-(2-Fluoro-phenyl)-2-{4-[4-(5-methoxy-1H-indol-3-...) Show SMILES COc1ccc2[nH]cc(C3CCN(CCCCn4c(=O)c(c5CCCCn5c4=O)-c4ccccc4F)CC3)c2c1 |(34.52,-24.97,;33.01,-25.27,;32.53,-26.73,;33.55,-27.89,;33.06,-29.35,;31.55,-29.65,;30.77,-30.97,;29.27,-30.64,;29.12,-29.11,;27.79,-28.32,;26.45,-29.08,;25.13,-28.3,;25.14,-26.77,;23.82,-25.99,;22.48,-26.76,;21.15,-25.98,;19.81,-26.74,;18.48,-25.97,;18.49,-24.42,;19.83,-23.65,;17.16,-23.65,;15.82,-24.42,;14.5,-23.65,;13.17,-24.41,;13.17,-25.94,;14.49,-26.72,;15.81,-25.95,;17.14,-26.73,;17.13,-28.27,;17.15,-22.11,;15.82,-21.34,;15.83,-19.8,;17.15,-19.03,;18.49,-19.79,;18.5,-21.34,;19.83,-22.11,;26.47,-26,;27.8,-26.78,;30.54,-28.49,;31.02,-27.04,)| Show InChI InChI=1S/C32H37FN4O3/c1-40-23-11-12-28-25(20-23)26(21-34-28)22-13-18-35(19-14-22)15-6-7-17-37-31(38)30(24-8-2-3-9-27(24)33)29-10-4-5-16-36(29)32(37)39/h2-3,8-9,11-12,20-22,34H,4-7,10,13-19H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	184	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT in rat cerebral cortex by liquid scintillation counting				Eur J Med Chem 44: 4702-15 (2009) Article DOI: 10.1016/j.ejmech.2009.07.007 BindingDB Entry DOI: 10.7270/Q28C9W93
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50315962 (1-((2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methylamin...) Show SMILES OC(CNCC1COc2ccccc2O1)COc1ccccc1F Show InChI InChI=1S/C18H20FNO4/c19-15-5-1-2-6-16(15)22-11-13(21)9-20-10-14-12-23-17-7-3-4-8-18(17)24-14/h1-8,13-14,20-21H,9-12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	197	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Polish Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]5CT from 5HT7 receptor				Bioorg Med Chem Lett 20: 2465-8 (2010) Article DOI: 10.1016/j.bmcl.2010.03.012 BindingDB Entry DOI: 10.7270/Q2736R3J
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50301436 (4-(4-Methoxy-phenyl)-2-{4-[4-(2-methyl-1H-indol-3-...) Show SMILES COc1ccc(cc1)-c1c2CCCCn2c(=O)n(CCCCN2CCC(CC2)c2c(C)[nH]c3ccccc23)c1=O Show InChI InChI=1S/C33H40N4O3/c1-23-30(27-9-3-4-10-28(27)34-23)25-16-21-35(22-17-25)18-7-8-20-37-32(38)31(24-12-14-26(40-2)15-13-24)29-11-5-6-19-36(29)33(37)39/h3-4,9-10,12-15,25,34H,5-8,11,16-22H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	203	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT in rat cerebral cortex by liquid scintillation counting				Eur J Med Chem 44: 4702-15 (2009) Article DOI: 10.1016/j.ejmech.2009.07.007 BindingDB Entry DOI: 10.7270/Q28C9W93
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50363810 (CHEMBL1945681) Show SMILES CC1CN(CCN1CCCCN1C(=O)CC(C)(C)CC1=O)c1ccc2cc(ccc2n1)[N+]([O-])=O Show InChI InChI=1S/C25H33N5O4/c1-18-17-28(22-9-6-19-14-20(30(33)34)7-8-21(19)26-22)13-12-27(18)10-4-5-11-29-23(31)15-25(2,3)16-24(29)32/h6-9,14,18H,4-5,10-13,15-17H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	221	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Medicines Institute Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5HT1A receptor in cerebral cortex homogenates after 15 mins				Eur J Med Chem 49: 200-10 (2012) Article DOI: 10.1016/j.ejmech.2012.01.012 BindingDB Entry DOI: 10.7270/Q2K35V4Z
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50301429 (4-(4-Chloro-phenyl)-2-{4-[4-(5-methoxy-1H-indol-3-...) Show SMILES COc1ccc2[nH]cc(C3CCN(CCCCn4c(=O)c(-c5ccc(Cl)cc5)c5CCCCn5c4=O)CC3)c2c1 Show InChI InChI=1S/C32H37ClN4O3/c1-40-25-11-12-28-26(20-25)27(21-34-28)22-13-18-35(19-14-22)15-4-5-17-37-31(38)30(23-7-9-24(33)10-8-23)29-6-2-3-16-36(29)32(37)39/h7-12,20-22,34H,2-6,13-19H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	222	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT in rat cerebral cortex by liquid scintillation counting				Eur J Med Chem 44: 4702-15 (2009) Article DOI: 10.1016/j.ejmech.2009.07.007 BindingDB Entry DOI: 10.7270/Q28C9W93
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50014407 (2-(piperazin-1-yl)quinoline | 2-Piperazin-1-yl-qui...) Show SMILES C1CN(CCN1)c1ccc2ccccc2n1 Show InChI InChI=1S/C13H15N3/c1-2-4-12-11(3-1)5-6-13(15-12)16-9-7-14-8-10-16/h1-6,14H,7-10H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Medicines Institute Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5HT1A receptor in cerebral cortex homogenates after 15 mins				Eur J Med Chem 49: 200-10 (2012) Article DOI: 10.1016/j.ejmech.2012.01.012 BindingDB Entry DOI: 10.7270/Q2K35V4Z
					More data for this Ligand-Target Pair

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