Compile Data Set for Download or QSAR

Found 1578 hits of ic50 data for polymerid = 2253   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50021219 (CHEMBL553648 | [3-(2,4-Dichloro-phenyl)-indan-1-yl...) Show SMILES CN(C)C1CC(c2ccccc12)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C17H17Cl2N/c1-20(2)17-10-15(12-5-3-4-6-14(12)17)13-8-7-11(18)9-16(13)19/h3-9,15,17H,10H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.0300	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of 5-HT uptake in rat synaptosomal fraction				J Med Chem 28: 1817-28 (1986) BindingDB Entry DOI: 10.7270/Q29W0G1M
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50021219 (CHEMBL553648 | [3-(2,4-Dichloro-phenyl)-indan-1-yl...) Show SMILES CN(C)C1CC(c2ccccc12)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C17H17Cl2N/c1-20(2)17-10-15(12-5-3-4-6-14(12)17)13-8-7-11(18)9-16(13)19/h3-9,15,17H,10H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.0300	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of dopamine uptake in rat synaptosomal fraction				J Med Chem 28: 1817-28 (1986) BindingDB Entry DOI: 10.7270/Q29W0G1M
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50021213 (1-(3,4-Dichloro-phenyl)-3-methylamino-indan-5-ol |...) Show SMILES CNC1CC(c2ccc(O)cc12)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C16H15Cl2NO/c1-19-16-8-12(9-2-5-14(17)15(18)6-9)11-4-3-10(20)7-13(11)16/h2-7,12,16,19-20H,8H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.110	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of dopamine uptake in rat synaptosomal fraction				J Med Chem 28: 1817-28 (1986) BindingDB Entry DOI: 10.7270/Q29W0G1M
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50021213 (1-(3,4-Dichloro-phenyl)-3-methylamino-indan-5-ol |...) Show SMILES CNC1CC(c2ccc(O)cc12)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C16H15Cl2NO/c1-19-16-8-12(9-2-5-14(17)15(18)6-9)11-4-3-10(20)7-13(11)16/h2-7,12,16,19-20H,8H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.110	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of 5-HT uptake in rat synaptosomal fraction				J Med Chem 28: 1817-28 (1986) BindingDB Entry DOI: 10.7270/Q29W0G1M
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50021247 (CHEMBL300069 | [3-(4-Bromo-phenyl)-indan-1-yl]-dim...) Show SMILES CN(C)C1CC(c2ccccc12)c1ccc(Br)cc1 Show InChI InChI=1S/C17H18BrN/c1-19(2)17-11-16(12-7-9-13(18)10-8-12)14-5-3-4-6-15(14)17/h3-10,16-17H,11H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.140	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of 5-HT uptake in rat synaptosomal fraction				J Med Chem 28: 1817-28 (1986) BindingDB Entry DOI: 10.7270/Q29W0G1M
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50021247 (CHEMBL300069 | [3-(4-Bromo-phenyl)-indan-1-yl]-dim...) Show SMILES CN(C)C1CC(c2ccccc12)c1ccc(Br)cc1 Show InChI InChI=1S/C17H18BrN/c1-19(2)17-11-16(12-7-9-13(18)10-8-12)14-5-3-4-6-15(14)17/h3-10,16-17H,11H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.140	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of 5-HT uptake in rat synaptosomal fraction				J Med Chem 28: 1817-28 (1986) BindingDB Entry DOI: 10.7270/Q29W0G1M
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50047103 (2-{3-[4-(1H-Indol-3-yl)-3,6-dihydro-2H-pyridin-1-y...) Show SMILES O=S1(=O)N(CCCN2CCC(=CC2)c2c[nH]c3ccccc23)c2cccc3cccc1c23 |c:10| Show InChI InChI=1S/C26H25N3O2S/c30-32(31)25-11-4-7-20-6-3-10-24(26(20)25)29(32)15-5-14-28-16-12-19(13-17-28)22-18-27-23-9-2-1-8-21(22)23/h1-4,6-12,18,27H,5,13-17H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches de Vitry-Alfortville Curated by ChEMBL					Assay Description Inhibition of [3H]-peroxitine binding to rat cortical membranes as measure of inhibitory activity towards 5-HT uptake				J Med Chem 36: 1194-202 (1993) BindingDB Entry DOI: 10.7270/Q2MC8Z3Z
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50149945 (CHEMBL3770205) Show SMILES CN1C2CCC1CC(C2)c1ccc2ccccc2c1 Show InChI InChI=1S/C26H29BrN6O5S/c1-33(2)14-13-29-26(36)21(15-24(34)32-23-12-11-19(27)16-30-23)31-25(35)18-9-7-17(8-10-18)20-5-3-4-6-22(20)39(28,37)38/h3-12,16,21H,13-15H2,1-2H3,(H,29,36)(H,31,35)(H2,28,37,38)(H,30,32,34)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.230	n/a	n/a	n/a	n/a	n/a	n/a
School of Medicine of University of Electronic Science and Technology of China Curated by ChEMBL					Assay Description Inhibition of 5-HT in Wistar rat synaptosomes assessed as [3H]-5-HT reuptake by liquid scintillation counting				Bioorg Med Chem 24: 1419-30 (2016) Article DOI: 10.1016/j.bmc.2016.02.030 BindingDB Entry DOI: 10.7270/Q22N5444
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM264118 (3-(4-(4-(4-(5-oxo-1,6-naphthyridin-6(5H)-yl)phenyl...) Show SMILES O=c1n(ccc2ncccc12)-c1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1 Show InChI InChI=1S/C31H30N6O/c32-21-23-6-11-29-28(20-23)24(22-34-29)4-1-2-14-35-16-18-36(19-17-35)25-7-9-26(10-8-25)37-15-12-30-27(31(37)38)5-3-13-33-30/h3,5-13,15,20,22,34H,1-2,4,14,16-19H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.230	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of serotonin transporter expressed in rat brain tissue assessed as inhibition of [3H]-5-hydroxytryptamine reuptake measured after 15 mins ...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113644 BindingDB Entry DOI: 10.7270/Q2TM7FXD
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50021208 (CHEMBL545671 | [3-(4-Bromo-phenyl)-indan-1-yl]-met...) Show SMILES CNC1CC(c2ccccc12)c1ccc(Br)cc1 Show InChI InChI=1S/C16H16BrN/c1-18-16-10-15(11-6-8-12(17)9-7-11)13-4-2-3-5-14(13)16/h2-9,15-16,18H,10H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.280	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of 5-HT uptake in rat synaptosomal fraction				J Med Chem 28: 1817-28 (1986) BindingDB Entry DOI: 10.7270/Q29W0G1M
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50021208 (CHEMBL545671 | [3-(4-Bromo-phenyl)-indan-1-yl]-met...) Show SMILES CNC1CC(c2ccccc12)c1ccc(Br)cc1 Show InChI InChI=1S/C16H16BrN/c1-18-16-10-15(11-6-8-12(17)9-7-11)13-4-2-3-5-14(13)16/h2-9,15-16,18H,10H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.280	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of 5-HT uptake in rat synaptosomal fraction				J Med Chem 28: 1817-28 (1986) BindingDB Entry DOI: 10.7270/Q29W0G1M
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM22416 ((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...) Show SMILES Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 Show InChI InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.280	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [3H]paroxetine (0.2 nM) binding to 5-HT transporter				J Med Chem 41: 247-57 (1998) Article DOI: 10.1021/jm970669p BindingDB Entry DOI: 10.7270/Q2P55P6D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50047089 (2-{3-[4-(5-Fluoro-1H-indol-3-yl)-3,6-dihydro-2H-py...) Show SMILES Fc1ccc2[nH]cc(C3=CCN(CCCN4c5cccc6cccc(c56)S4(=O)=O)CC3)c2c1 |t:8| Show InChI InChI=1S/C26H24FN3O2S/c27-20-8-9-23-21(16-20)22(17-28-23)18-10-14-29(15-11-18)12-3-13-30-24-6-1-4-19-5-2-7-25(26(19)24)33(30,31)32/h1-2,4-10,16-17,28H,3,11-15H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches de Vitry-Alfortville Curated by ChEMBL					Assay Description Inhibition of [3H]-peroxitine binding to rat cortical membranes as measure of inhibitory activity towards 5-HT uptake				J Med Chem 36: 1194-202 (1993) BindingDB Entry DOI: 10.7270/Q2MC8Z3Z
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50047108 (2-{2-[4-(6-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...) Show SMILES Fc1ccc2c(CC3CCN(CCN4c5cccc6cccc(c56)S4(=O)=O)CC3)c[nH]c2c1 Show InChI InChI=1S/C26H26FN3O2S/c27-21-7-8-22-20(17-28-23(22)16-21)15-18-9-11-29(12-10-18)13-14-30-24-5-1-3-19-4-2-6-25(26(19)24)33(30,31)32/h1-8,16-18,28H,9-15H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches de Vitry-Alfortville Curated by ChEMBL					Assay Description Inhibition of [3H]-peroxitine binding to rat cortical membranes as measure of inhibitory activity towards 5-HT uptake				J Med Chem 36: 1194-202 (1993) BindingDB Entry DOI: 10.7270/Q2MC8Z3Z
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50152027 (5-{4-[4-(5-Cyano-1H-indol-3-yl)-butyl]-piperazin-1...) Show SMILES NC(=O)c1cc2cc(ccc2s1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1 Show InChI InChI=1S/C26H27N5OS/c27-16-18-4-6-23-22(13-18)19(17-29-23)3-1-2-8-30-9-11-31(12-10-30)21-5-7-24-20(14-21)15-25(33-24)26(28)32/h4-7,13-15,17,29H,1-3,8-12H2,(H2,28,32)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of [3H]-5-HT re-uptake in rat synaptosomes				J Med Chem 47: 4684-92 (2004) Article DOI: 10.1021/jm040793q BindingDB Entry DOI: 10.7270/Q2513XPS
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50152012 (5-{4-[4-(5-Fluoro-1H-indol-3-yl)-butyl]-piperazin-...) Show SMILES NC(=O)c1cc2cc(ccc2o1)N1CCN(CCCCc2c[nH]c3ccc(F)cc23)CC1 Show InChI InChI=1S/C25H27FN4O2/c26-19-4-6-22-21(15-19)17(16-28-22)3-1-2-8-29-9-11-30(12-10-29)20-5-7-23-18(13-20)14-24(32-23)25(27)31/h4-7,13-16,28H,1-3,8-12H2,(H2,27,31)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description inhibition of rat cerebral 5HT transporter assessed as reduction in [3H]5HT reuptake after 4 mins				J Med Chem 61: 5822-5880 (2018) Article DOI: 10.1021/acs.jmedchem.7b01788 BindingDB Entry DOI: 10.7270/Q232008T
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50152012 (5-{4-[4-(5-Fluoro-1H-indol-3-yl)-butyl]-piperazin-...) Show SMILES NC(=O)c1cc2cc(ccc2o1)N1CCN(CCCCc2c[nH]c3ccc(F)cc23)CC1 Show InChI InChI=1S/C25H27FN4O2/c26-19-4-6-22-21(15-19)17(16-28-22)3-1-2-8-29-9-11-30(12-10-29)20-5-7-23-18(13-20)14-24(32-23)25(27)31/h4-7,13-16,28H,1-3,8-12H2,(H2,27,31)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of [3H]-5-HT re-uptake in rat synaptosomes				J Med Chem 47: 4684-92 (2004) Article DOI: 10.1021/jm040793q BindingDB Entry DOI: 10.7270/Q2513XPS
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50151999 (3-{4-[4-(3,4-Dimethoxy-phenyl)-piperazin-1-yl]-but...) Show SMILES COc1ccc(cc1OC)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1 Show InChI InChI=1S/C25H30N4O2/c1-30-24-9-7-21(16-25(24)31-2)29-13-11-28(12-14-29)10-4-3-5-20-18-27-23-8-6-19(17-26)15-22(20)23/h6-9,15-16,18,27H,3-5,10-14H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of [3H]-5-HT re-uptake in rat synaptosomes				J Med Chem 47: 4684-92 (2004) Article DOI: 10.1021/jm040793q BindingDB Entry DOI: 10.7270/Q2513XPS
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50021238 (CHEMBL50635 | [3-(4-Chloro-phenyl)-indan-1-yl]-dim...) Show SMILES CN(C)C1CC(c2ccccc12)c1ccc(Cl)cc1 Show InChI InChI=1S/C17H18ClN/c1-19(2)17-11-16(12-7-9-13(18)10-8-12)14-5-3-4-6-15(14)17/h3-10,16-17H,11H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.340	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of 5-HT uptake in rat synaptosomal fraction				J Med Chem 28: 1817-28 (1986) BindingDB Entry DOI: 10.7270/Q29W0G1M
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50021238 (CHEMBL50635 | [3-(4-Chloro-phenyl)-indan-1-yl]-dim...) Show SMILES CN(C)C1CC(c2ccccc12)c1ccc(Cl)cc1 Show InChI InChI=1S/C17H18ClN/c1-19(2)17-11-16(12-7-9-13(18)10-8-12)14-5-3-4-6-15(14)17/h3-10,16-17H,11H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.340	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of 5-HT uptake in rat synaptosomal fraction				J Med Chem 28: 1817-28 (1986) BindingDB Entry DOI: 10.7270/Q29W0G1M
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50453639 (CHEMBL2112889) Show SMILES [H][C@]12CCC(N1)[C@H]([C@H](C2)c1ccc(I)cc1)C(=O)OC |TLB:9:7:5:3.2,THB:16:6:5:3.2| Show InChI InChI=1S/C15H18INO2/c1-19-15(18)14-12(8-11-6-7-13(14)17-11)9-2-4-10(16)5-3-9/h2-5,11-14,17H,6-8H2,1H3/t11-,12-,13?,14+/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.360	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Inhibition of [3H]paroxetine binding to 5-hydroxytryptamine (5-HT) transporter				J Med Chem 37: 1220-3 (1994) BindingDB Entry DOI: 10.7270/Q2Z60PQ2
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50021245 (CHEMBL301782 | CHEMBL552891 | [3-(3,4-Dichloro-phe...) Show SMILES CN(C)C1CC(c2ccccc12)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C17H17Cl2N/c1-20(2)17-10-14(12-5-3-4-6-13(12)17)11-7-8-15(18)16(19)9-11/h3-9,14,17H,10H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.370	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of 5-HT uptake in rat synaptosomal fraction				J Med Chem 28: 1817-28 (1986) BindingDB Entry DOI: 10.7270/Q29W0G1M
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50021228 (1-(3,4-Dichloro-phenyl)-3-dimethylamino-indan-5-ol...) Show SMILES CN(C)C1CC(c2ccc(O)cc12)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C17H17Cl2NO/c1-20(2)17-9-13(10-3-6-15(18)16(19)7-10)12-5-4-11(21)8-14(12)17/h3-8,13,17,21H,9H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.370	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of 5-HT uptake in rat synaptosomal fraction				J Med Chem 28: 1817-28 (1986) BindingDB Entry DOI: 10.7270/Q29W0G1M
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50047100 (2-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...) Show SMILES Fc1ccc2[nH]cc(CC3CCN(CCN4c5cccc6cccc(c56)S4(=O)=O)CC3)c2c1 Show InChI InChI=1S/C26H26FN3O2S/c27-21-7-8-23-22(16-21)20(17-28-23)15-18-9-11-29(12-10-18)13-14-30-24-5-1-3-19-4-2-6-25(26(19)24)33(30,31)32/h1-8,16-18,28H,9-15H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches de Vitry-Alfortville Curated by ChEMBL					Assay Description Inhibition of [3H]-peroxitine binding to rat cortical membranes as measure of inhibitory activity towards 5-HT uptake				J Med Chem 36: 1194-202 (1993) BindingDB Entry DOI: 10.7270/Q2MC8Z3Z
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50047092 (1-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...) Show SMILES Fc1ccc2[nH]cc(CC3CCN(CCn4c5cccc6CCCn(c56)c4=O)CC3)c2c1 Show InChI InChI=1S/C26H29FN4O/c27-21-6-7-23-22(16-21)20(17-28-23)15-18-8-11-29(12-9-18)13-14-30-24-5-1-3-19-4-2-10-31(25(19)24)26(30)32/h1,3,5-7,16-18,28H,2,4,8-15H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches de Vitry-Alfortville Curated by ChEMBL					Assay Description Inhibition of [3H]-peroxitine binding to rat cortical membranes as measure of inhibitory activity towards 5-HT uptake				J Med Chem 36: 1194-202 (1993) BindingDB Entry DOI: 10.7270/Q2MC8Z3Z
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50151988 (3-{4-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-pipera...) Show SMILES N#Cc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCCOc4c3)c2c1 Show InChI InChI=1S/C25H28N4O2/c26-17-19-4-6-23-22(15-19)20(18-27-23)3-1-2-8-28-9-11-29(12-10-28)21-5-7-24-25(16-21)31-14-13-30-24/h4-7,15-16,18,27H,1-3,8-14H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description inhibition of rat cerebral 5HT transporter assessed as reduction in [3H]5HT reuptake after 4 mins				J Med Chem 61: 5822-5880 (2018) Article DOI: 10.1021/acs.jmedchem.7b01788 BindingDB Entry DOI: 10.7270/Q232008T
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50151988 (3-{4-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-pipera...) Show SMILES N#Cc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCCOc4c3)c2c1 Show InChI InChI=1S/C25H28N4O2/c26-17-19-4-6-23-22(15-19)20(18-27-23)3-1-2-8-28-9-11-29(12-10-28)21-5-7-24-25(16-21)31-14-13-30-24/h4-7,15-16,18,27H,1-3,8-14H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of [3H]-5-HT re-uptake in rat synaptosomes				J Med Chem 47: 4684-92 (2004) Article DOI: 10.1021/jm040793q BindingDB Entry DOI: 10.7270/Q2513XPS
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50021226 (CHEMBL296602 | Indatraline | [3-(3,4-Dichloro-phen...) Show SMILES CNC1CC(c2ccccc12)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C16H15Cl2N/c1-19-16-9-13(11-4-2-3-5-12(11)16)10-6-7-14(17)15(18)8-10/h2-8,13,16,19H,9H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.440	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of dopamine uptake in rat synaptosomal fraction				J Med Chem 28: 1817-28 (1986) BindingDB Entry DOI: 10.7270/Q29W0G1M
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50021226 (CHEMBL296602 | Indatraline | [3-(3,4-Dichloro-phen...) Show SMILES CNC1CC(c2ccccc12)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C16H15Cl2N/c1-19-16-9-13(11-4-2-3-5-12(11)16)10-6-7-14(17)15(18)8-10/h2-8,13,16,19H,9H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.480	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of 5-HT uptake in rat synaptosomal fraction				J Med Chem 28: 1817-28 (1986) BindingDB Entry DOI: 10.7270/Q29W0G1M
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50151993 (3-{4-[4-(4-Hydroxy-phenyl)-piperazin-1-yl]-butyl}-...) Show SMILES Oc1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1 Show InChI InChI=1S/C23H26N4O/c24-16-18-4-9-23-22(15-18)19(17-25-23)3-1-2-10-26-11-13-27(14-12-26)20-5-7-21(28)8-6-20/h4-9,15,17,25,28H,1-3,10-14H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of [3H]-5-HT re-uptake in rat synaptosomes				J Med Chem 47: 4684-92 (2004) Article DOI: 10.1021/jm040793q BindingDB Entry DOI: 10.7270/Q2513XPS
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50151984 (3-{4-[4-(4-Methoxy-phenyl)-piperazin-1-yl]-butyl}-...) Show SMILES COc1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1 Show InChI InChI=1S/C24H28N4O/c1-29-22-8-6-21(7-9-22)28-14-12-27(13-15-28)11-3-2-4-20-18-26-24-10-5-19(17-25)16-23(20)24/h5-10,16,18,26H,2-4,11-15H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of [3H]-5-HT re-uptake in rat synaptosomes				J Med Chem 47: 4684-92 (2004) Article DOI: 10.1021/jm040793q BindingDB Entry DOI: 10.7270/Q2513XPS
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50151994 (3-{4-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-pipera...) Show SMILES Oc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCCOc4c3)c2c1 Show InChI InChI=1S/C24H29N3O3/c28-20-5-6-22-21(16-20)18(17-25-22)3-1-2-8-26-9-11-27(12-10-26)19-4-7-23-24(15-19)30-14-13-29-23/h4-7,15-17,25,28H,1-3,8-14H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of [3H]-5-HT re-uptake in rat synaptosomes				J Med Chem 47: 4684-92 (2004) Article DOI: 10.1021/jm040793q BindingDB Entry DOI: 10.7270/Q2513XPS
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50151982 (5-{4-[4-(5-Cyano-1H-indol-3-yl)-butyl]-piperazin-1...) Show SMILES NC(=O)c1cc2cc(ccc2o1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1 Show InChI InChI=1S/C26H27N5O2/c27-16-18-4-6-23-22(13-18)19(17-29-23)3-1-2-8-30-9-11-31(12-10-30)21-5-7-24-20(14-21)15-25(33-24)26(28)32/h4-7,13-15,17,29H,1-3,8-12H2,(H2,28,32)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
China State Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Inhibition of rat synaptosomes 5HT transporter assessed as reduction in [3H]serotonin reuptake incubated for 15 mins by scintillation counting method				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126703 BindingDB Entry DOI: 10.7270/Q2DR2ZZT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50151982 (5-{4-[4-(5-Cyano-1H-indol-3-yl)-butyl]-piperazin-1...) Show SMILES NC(=O)c1cc2cc(ccc2o1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1 Show InChI InChI=1S/C26H27N5O2/c27-16-18-4-6-23-22(13-18)19(17-29-23)3-1-2-8-30-9-11-31(12-10-30)21-5-7-24-20(14-21)15-25(33-24)26(28)32/h4-7,13-15,17,29H,1-3,8-12H2,(H2,28,32)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of [3H]-5-HT re-uptake in rat synaptosomes				J Med Chem 47: 4684-92 (2004) Article DOI: 10.1021/jm040793q BindingDB Entry DOI: 10.7270/Q2513XPS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50151982 (5-{4-[4-(5-Cyano-1H-indol-3-yl)-butyl]-piperazin-1...) Show SMILES NC(=O)c1cc2cc(ccc2o1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1 Show InChI InChI=1S/C26H27N5O2/c27-16-18-4-6-23-22(13-18)19(17-29-23)3-1-2-8-30-9-11-31(12-10-30)21-5-7-24-20(14-21)15-25(33-24)26(28)32/h4-7,13-15,17,29H,1-3,8-12H2,(H2,28,32)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description inhibition of rat cerebral 5HT transporter assessed as reduction in [3H]5HT reuptake after 4 mins				J Med Chem 61: 5822-5880 (2018) Article DOI: 10.1021/acs.jmedchem.7b01788 BindingDB Entry DOI: 10.7270/Q232008T
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50084717 ((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C |THB:2:4:20:6.7| Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from Serotonin transporter of rat caudate putamen				J Med Chem 48: 3337-43 (2005) Article DOI: 10.1021/jm0490235 BindingDB Entry DOI: 10.7270/Q25T3M8M
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50529312 (CHEMBL4444213) Show SMILES Fc1ccc(OCCN2CCC(CC2)c2c[nH]c3ccc(F)cc23)c(c1)-c1ccccc1 Show InChI InChI=1S/C27H26F2N2O/c28-21-6-8-26-24(17-21)25(18-30-26)20-10-12-31(13-11-20)14-15-32-27-9-7-22(29)16-23(27)19-4-2-1-3-5-19/h1-9,16-18,20,30H,10-15H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.129006 BindingDB Entry DOI: 10.7270/Q2ZC8701
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM264120 (3-(4-(4-(4-(4-oxofuro[3,2-c]pyridin-5 (4H)-yl)phen...) Show SMILES O=c1n(ccc2occc12)-c1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1 Show InChI InChI=1S/C30H29N5O2/c31-20-22-4-9-28-27(19-22)23(21-32-28)3-1-2-12-33-14-16-34(17-15-33)24-5-7-25(8-6-24)35-13-10-29-26(30(35)36)11-18-37-29/h4-11,13,18-19,21,32H,1-3,12,14-17H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.530	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of serotonin transporter expressed in rat brain tissue assessed as inhibition of [3H]-5-hydroxytryptamine reuptake measured after 15 mins ...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113644 BindingDB Entry DOI: 10.7270/Q2TM7FXD
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50021214 (CHEMBL300019 | CHEMBL537996 | [3-(3,4-Dichloro-phe...) Show SMILES CNC1CC(c2ccc(OC)cc12)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C17H17Cl2NO/c1-20-17-9-13(10-3-6-15(18)16(19)7-10)12-5-4-11(21-2)8-14(12)17/h3-8,13,17,20H,9H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.530	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of 5-HT uptake in rat synaptosomal fraction				J Med Chem 28: 1817-28 (1986) BindingDB Entry DOI: 10.7270/Q29W0G1M
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50127388 (3-(4-Isopropenyl-phenyl)-8-aza-bicyclo[3.2.1]octan...) Show SMILES COC(=O)C1C2CC[C@H](C[C@@H]1c1ccc(cc1)C(C)=C)N2 |THB:2:4:20:6.7,11:10:20:6.7| Show InChI InChI=1S/C18H23NO2/c1-11(2)12-4-6-13(7-5-12)15-10-14-8-9-16(19-14)17(15)18(20)21-3/h4-7,14-17,19H,1,8-10H2,2-3H3/t14-,15-,16?,17?/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [3H]paroxetine binding at serotonin transporter was determined				J Med Chem 46: 1775-94 (2003) Article DOI: 10.1021/jm030092d BindingDB Entry DOI: 10.7270/Q2FF3T3J
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50053650 (3-(4-Isopropenyl-phenyl)-8-aza-bicyclo[3.2.1]octan...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)C(C)=C)N2 |THB:2:4:20:6.7,11:10:20:6.7| Show InChI InChI=1S/C18H23NO2/c1-11(2)12-4-6-13(7-5-12)15-10-14-8-9-16(19-14)17(15)18(20)21-3/h4-7,14-17,19H,1,8-10H2,2-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [3H]paroxetine binding to serotonin transporter in rat frontal cortex				J Med Chem 39: 4027-35 (1996) Article DOI: 10.1021/jm960409s BindingDB Entry DOI: 10.7270/Q22B8ZNT
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50047097 (2-{2-[4-(1H-Indol-3-yl)-3,6-dihydro-2H-pyridin-1-y...) Show SMILES O=S1(=O)N(CCN2CCC(=CC2)c2c[nH]c3ccccc23)c2cccc3cccc1c23 |c:9| Show InChI InChI=1S/C25H23N3O2S/c29-31(30)24-10-4-6-19-5-3-9-23(25(19)24)28(31)16-15-27-13-11-18(12-14-27)21-17-26-22-8-2-1-7-20(21)22/h1-11,17,26H,12-16H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches de Vitry-Alfortville Curated by ChEMBL					Assay Description Inhibition of [3H]-peroxitine binding to rat cortical membranes as measure of inhibitory activity towards 5-HT uptake				J Med Chem 36: 1194-202 (1993) BindingDB Entry DOI: 10.7270/Q2MC8Z3Z
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50152014 (4-{4-[4-(5-Cyano-1H-indol-3-yl)-butyl]-piperazin-1...) Show SMILES NC(=O)c1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1 Show InChI InChI=1S/C24H27N5O/c25-16-18-4-9-23-22(15-18)20(17-27-23)3-1-2-10-28-11-13-29(14-12-28)21-7-5-19(6-8-21)24(26)30/h4-9,15,17,27H,1-3,10-14H2,(H2,26,30)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of [3H]-5-HT re-uptake in rat synaptosomes				J Med Chem 47: 4684-92 (2004) Article DOI: 10.1021/jm040793q BindingDB Entry DOI: 10.7270/Q2513XPS
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50152022 (3-[4-(4-Benzo[1,3]dioxol-5-yl-piperazin-1-yl)-buty...) Show SMILES N#Cc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCOc4c3)c2c1 Show InChI InChI=1S/C24H26N4O2/c25-15-18-4-6-22-21(13-18)19(16-26-22)3-1-2-8-27-9-11-28(12-10-27)20-5-7-23-24(14-20)30-17-29-23/h4-7,13-14,16,26H,1-3,8-12,17H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of [3H]-5-HT re-uptake in rat synaptosomes				J Med Chem 47: 4684-92 (2004) Article DOI: 10.1021/jm040793q BindingDB Entry DOI: 10.7270/Q2513XPS
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50152022 (3-[4-(4-Benzo[1,3]dioxol-5-yl-piperazin-1-yl)-buty...) Show SMILES N#Cc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCOc4c3)c2c1 Show InChI InChI=1S/C24H26N4O2/c25-15-18-4-6-22-21(13-18)19(16-26-22)3-1-2-8-27-9-11-28(12-10-27)20-5-7-23-24(14-20)30-17-29-23/h4-7,13-14,16,26H,1-3,8-12,17H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description inhibition of rat cerebral 5HT transporter assessed as reduction in [3H]5HT reuptake after 4 mins				J Med Chem 61: 5822-5880 (2018) Article DOI: 10.1021/acs.jmedchem.7b01788 BindingDB Entry DOI: 10.7270/Q232008T
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50047086 (2-{3-[4-(1-Methyl-1H-indol-3-yl)-3,6-dihydro-2H-py...) Show SMILES Cn1cc(C2=CCN(CCCN3c4cccc5cccc(c45)S3(=O)=O)CC2)c2ccccc12 |t:4| Show InChI InChI=1S/C27H27N3O2S/c1-28-19-23(22-9-2-3-10-24(22)28)20-13-17-29(18-14-20)15-6-16-30-25-11-4-7-21-8-5-12-26(27(21)25)33(30,31)32/h2-5,7-13,19H,6,14-18H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches de Vitry-Alfortville Curated by ChEMBL					Assay Description Inhibition of [3H]-peroxitine binding to rat cortical membranes as measure of inhibitory activity towards 5-HT uptake				J Med Chem 36: 1194-202 (1993) BindingDB Entry DOI: 10.7270/Q2MC8Z3Z
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50021214 (CHEMBL300019 | CHEMBL537996 | [3-(3,4-Dichloro-phe...) Show SMILES CNC1CC(c2ccc(OC)cc12)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C17H17Cl2NO/c1-20-17-9-13(10-3-6-15(18)16(19)7-10)12-5-4-11(21-2)8-14(12)17/h3-8,13,17,20H,9H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.620	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of 5-HT uptake in rat synaptosomal fraction				J Med Chem 28: 1817-28 (1986) BindingDB Entry DOI: 10.7270/Q29W0G1M
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50021245 (CHEMBL301782 | CHEMBL552891 | [3-(3,4-Dichloro-phe...) Show SMILES CN(C)C1CC(c2ccccc12)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C17H17Cl2N/c1-20(2)17-10-14(12-5-3-4-6-13(12)17)11-7-8-15(18)16(19)9-11/h3-9,14,17H,10H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.640	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of 5-HT uptake in rat synaptosomal fraction				J Med Chem 28: 1817-28 (1986) BindingDB Entry DOI: 10.7270/Q29W0G1M
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50021235 (CHEMBL51224 | CHEMBL554756 | [3-(4-Chloro-phenyl)-...) Show SMILES CNC1CC(c2ccccc12)c1ccc(Cl)cc1 Show InChI InChI=1S/C16H16ClN/c1-18-16-10-15(11-6-8-12(17)9-7-11)13-4-2-3-5-14(13)16/h2-9,15-16,18H,10H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.650	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of 5-HT uptake in rat synaptosomal fraction				J Med Chem 28: 1817-28 (1986) BindingDB Entry DOI: 10.7270/Q29W0G1M
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50151982 (5-{4-[4-(5-Cyano-1H-indol-3-yl)-butyl]-piperazin-1...) Show SMILES NC(=O)c1cc2cc(ccc2o1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1 Show InChI InChI=1S/C26H27N5O2/c27-16-18-4-6-23-22(13-18)19(17-29-23)3-1-2-8-30-9-11-31(12-10-30)21-5-7-24-20(14-21)15-25(33-24)26(28)32/h4-7,13-15,17,29H,1-3,8-12H2,(H2,28,32)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.670	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of serotonin transporter expressed in rat brain tissue assessed as inhibition of [3H]-5-hydroxytryptamine reuptake measured after 15 mins ...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113644 BindingDB Entry DOI: 10.7270/Q2TM7FXD
					More data for this Ligand-Target Pair				3D Structure (crystal)

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