Compile Data Set for Download or QSAR

Found 104 hits with Last Name = 'plenge' and Initial = 'p'   

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))	BDBM50494797 (CHEMBL3094188) Show SMILES CN(C)CCCC1(OCc2cc(CN3CCN(CC3)c3ccccc3)ccc12)c1ccc(F)cc1 Show InChI InChI=1S/C30H36FN3O/c1-32(2)16-6-15-30(26-10-12-27(31)13-11-26)29-14-9-24(21-25(29)23-35-30)22-33-17-19-34(20-18-33)28-7-4-3-5-8-28/h3-5,7-14,21H,6,15-20,22-23H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from Sprague-Dawley rat brain stem SERT site S1 by scintillation counting analysis				J Med Chem 56: 9709-24 (2013) Article DOI: 10.1021/jm4014136 BindingDB Entry DOI: 10.7270/Q2N58Q90
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50494794 (CHEMBL3094182) Show SMILES COC(=O)c1ccc2c(COC2(CCCN(C)C)c2ccc(F)cc2)c1 Show InChI InChI=1S/C21H24FNO3/c1-23(2)12-4-11-21(17-6-8-18(22)9-7-17)19-10-5-15(20(24)25-3)13-16(19)14-26-21/h5-10,13H,4,11-12,14H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from Sprague-Dawley rat brain stem SERT site S1 by scintillation counting analysis				J Med Chem 56: 9709-24 (2013) Article DOI: 10.1021/jm4014136 BindingDB Entry DOI: 10.7270/Q2N58Q90
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50494798 (CHEMBL3094184) Show SMILES CN(C)CCCC1(OCc2cc(C=O)ccc12)c1ccc(F)cc1 Show InChI InChI=1S/C20H22FNO2/c1-22(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-23)12-16(19)14-24-20/h4-9,12-13H,3,10-11,14H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from Sprague-Dawley rat brain stem SERT site S1 by scintillation counting analysis				J Med Chem 56: 9709-24 (2013) Article DOI: 10.1021/jm4014136 BindingDB Entry DOI: 10.7270/Q2N58Q90
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50494785 (CHEMBL3094166) Show SMILES CN(C)CCCC1(OCc2c1cccc2I)c1ccc(F)cc1 Show InChI InChI=1S/C19H21FINO/c1-22(2)12-4-11-19(14-7-9-15(20)10-8-14)17-5-3-6-18(21)16(17)13-23-19/h3,5-10H,4,11-13H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from Sprague-Dawley rat brain stem SERT site S1 by scintillation counting analysis				J Med Chem 56: 9709-24 (2013) Article DOI: 10.1021/jm4014136 BindingDB Entry DOI: 10.7270/Q2N58Q90
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50494799 (CHEMBL3094189) Show SMILES COc1ccccc1N1CCN(Cc2ccc3c(COC3(CCCN(C)C)c3ccc(F)cc3)c2)CC1 Show InChI InChI=1S/C31H38FN3O2/c1-33(2)16-6-15-31(26-10-12-27(32)13-11-26)28-14-9-24(21-25(28)23-37-31)22-34-17-19-35(20-18-34)29-7-4-5-8-30(29)36-3/h4-5,7-14,21H,6,15-20,22-23H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from Sprague-Dawley rat brain stem SERT site S1 by scintillation counting analysis				J Med Chem 56: 9709-24 (2013) Article DOI: 10.1021/jm4014136 BindingDB Entry DOI: 10.7270/Q2N58Q90
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50494801 (CHEMBL3094193) Show SMILES CN(C)CCCC1(OCc2cc(CNCc3ccc4ccccc4c3)ccc12)c1ccc(F)cc1 Show InChI InChI=1S/C31H33FN2O/c1-34(2)17-5-16-31(28-11-13-29(32)14-12-28)30-15-9-24(19-27(30)22-35-31)21-33-20-23-8-10-25-6-3-4-7-26(25)18-23/h3-4,6-15,18-19,33H,5,16-17,20-22H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from Sprague-Dawley rat brain stem SERT site S1 by scintillation counting analysis				J Med Chem 56: 9709-24 (2013) Article DOI: 10.1021/jm4014136 BindingDB Entry DOI: 10.7270/Q2N58Q90
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50494789 (CHEMBL3094191) Show SMILES CN(C)CCCC1(OCc2cc(CNCc3coc4ccccc34)ccc12)c1ccc(F)cc1 Show InChI InChI=1S/C29H31FN2O2/c1-32(2)15-5-14-29(24-9-11-25(30)12-10-24)27-13-8-21(16-22(27)20-34-29)17-31-18-23-19-33-28-7-4-3-6-26(23)28/h3-4,6-13,16,19,31H,5,14-15,17-18,20H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from Sprague-Dawley rat brain stem SERT site S1 by scintillation counting analysis				J Med Chem 56: 9709-24 (2013) Article DOI: 10.1021/jm4014136 BindingDB Entry DOI: 10.7270/Q2N58Q90
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50494771 (CHEMBL3094168) Show SMILES CN(C)CCCC1(OCc2cc(ccc12)C#N)c1ccc(Br)cc1 Show InChI InChI=1S/C20H21BrN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from Sprague-Dawley rat brain stem SERT site S1 by scintillation counting analysis				J Med Chem 56: 9709-24 (2013) Article DOI: 10.1021/jm4014136 BindingDB Entry DOI: 10.7270/Q2N58Q90
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50494761 (CHEMBL3094192) Show SMILES CN(C)CCCC1(OCc2cc(CNCc3csc4ccccc34)ccc12)c1ccc(F)cc1 Show InChI InChI=1S/C29H31FN2OS/c1-32(2)15-5-14-29(24-9-11-25(30)12-10-24)27-13-8-21(16-22(27)19-33-29)17-31-18-23-20-34-28-7-4-3-6-26(23)28/h3-4,6-13,16,20,31H,5,14-15,17-19H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from Sprague-Dawley rat brain stem SERT site S1 by scintillation counting analysis				J Med Chem 56: 9709-24 (2013) Article DOI: 10.1021/jm4014136 BindingDB Entry DOI: 10.7270/Q2N58Q90
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50494791 (CHEMBL3094187) Show SMILES CN(C)CCCC1(OCc2cc(CN3CCOCC3)ccc12)c1ccc(F)cc1 Show InChI InChI=1S/C24H31FN2O2/c1-26(2)11-3-10-24(21-5-7-22(25)8-6-21)23-9-4-19(16-20(23)18-29-24)17-27-12-14-28-15-13-27/h4-9,16H,3,10-15,17-18H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from Sprague-Dawley rat brain stem SERT site S1 by scintillation counting analysis				J Med Chem 56: 9709-24 (2013) Article DOI: 10.1021/jm4014136 BindingDB Entry DOI: 10.7270/Q2N58Q90
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50494793 (CHEMBL3094183) Show SMILES CN(C)CCCC1(OCc2cc(ccc12)C(N)=O)c1ccc(F)cc1 Show InChI InChI=1S/C20H23FN2O2/c1-23(2)11-3-10-20(16-5-7-17(21)8-6-16)18-9-4-14(19(22)24)12-15(18)13-25-20/h4-9,12H,3,10-11,13H2,1-2H3,(H2,22,24)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from Sprague-Dawley rat brain stem SERT site S1 by scintillation counting analysis				J Med Chem 56: 9709-24 (2013) Article DOI: 10.1021/jm4014136 BindingDB Entry DOI: 10.7270/Q2N58Q90
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50494787 (CHEMBL3094197) Show SMILES CN(C)CCCC1(OCc2cc(ccc12)-c1ccc(cc1)[N+]([O-])=O)c1ccc(F)cc1 Show InChI InChI=1S/C25H25FN2O3/c1-27(2)15-3-14-25(21-7-9-22(26)10-8-21)24-13-6-19(16-20(24)17-31-25)18-4-11-23(12-5-18)28(29)30/h4-13,16H,3,14-15,17H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from Sprague-Dawley rat brain stem SERT site S1 by scintillation counting analysis				J Med Chem 56: 9709-24 (2013) Article DOI: 10.1021/jm4014136 BindingDB Entry DOI: 10.7270/Q2N58Q90
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50494792 (CHEMBL3094186) Show SMILES CN(C)CCCC1(OCc2cc(CN3CCCCC3)ccc12)c1ccc(F)cc1 Show InChI InChI=1S/C25H33FN2O/c1-27(2)14-6-13-25(22-8-10-23(26)11-9-22)24-12-7-20(17-21(24)19-29-25)18-28-15-4-3-5-16-28/h7-12,17H,3-6,13-16,18-19H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from Sprague-Dawley rat brain stem SERT site S1 by scintillation counting analysis				J Med Chem 56: 9709-24 (2013) Article DOI: 10.1021/jm4014136 BindingDB Entry DOI: 10.7270/Q2N58Q90
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50494776 (CHEMBL3094158) Show SMILES CN(CCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1)Cc1ccc-2c(Cc3ccccc-23)c1 Show InChI InChI=1S/C33H29FN2O/c1-36(21-24-7-13-31-26(18-24)19-25-5-2-3-6-30(25)31)16-4-15-33(28-9-11-29(34)12-10-28)32-14-8-23(20-35)17-27(32)22-37-33/h2-3,5-14,17-18H,4,15-16,19,21-22H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from Sprague-Dawley rat brain stem SERT site S1 by scintillation counting analysis				J Med Chem 56: 9709-24 (2013) Article DOI: 10.1021/jm4014136 BindingDB Entry DOI: 10.7270/Q2N58Q90
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50494788 (CHEMBL3094195) Show SMILES CN(C)CCCC1(OCc2cc(CNCc3ccc4c(COC4(CCCN(C)C)c4ccc(F)cc4)c3)ccc12)c1ccc(F)cc1 Show InChI InChI=1S/C40H47F2N3O2/c1-44(2)21-5-19-39(33-9-13-35(41)14-10-33)37-17-7-29(23-31(37)27-46-39)25-43-26-30-8-18-38-32(24-30)28-47-40(38,20-6-22-45(3)4)34-11-15-36(42)16-12-34/h7-18,23-24,43H,5-6,19-22,25-28H2,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from Sprague-Dawley rat brain stem SERT site S1 by scintillation counting analysis				J Med Chem 56: 9709-24 (2013) Article DOI: 10.1021/jm4014136 BindingDB Entry DOI: 10.7270/Q2N58Q90
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50494786 (CHEMBL3094165) Show SMILES CN(C)CCCC1(OCc2cc(\C=C\Cc3ccccc3)ccc12)c1ccc(F)cc1 Show InChI InChI=1S/C28H30FNO/c1-30(2)19-7-18-28(25-13-15-26(29)16-14-25)27-17-12-23(20-24(27)21-31-28)11-6-10-22-8-4-3-5-9-22/h3-6,8-9,11-17,20H,7,10,18-19,21H2,1-2H3/b11-6+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from Sprague-Dawley rat brain stem SERT site S1 by scintillation counting analysis				J Med Chem 56: 9709-24 (2013) Article DOI: 10.1021/jm4014136 BindingDB Entry DOI: 10.7270/Q2N58Q90
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50494773 (CHEMBL3094179) Show SMILES CN(CCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1)Cc1csc2ccccc12 Show InChI InChI=1S/C28H25FN2OS/c1-31(17-22-19-33-27-6-3-2-5-25(22)27)14-4-13-28(23-8-10-24(29)11-9-23)26-12-7-20(16-30)15-21(26)18-32-28/h2-3,5-12,15,19H,4,13-14,17-18H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from Sprague-Dawley rat brain stem SERT site S1 by scintillation counting analysis				J Med Chem 56: 9709-24 (2013) Article DOI: 10.1021/jm4014136 BindingDB Entry DOI: 10.7270/Q2N58Q90
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50494790 (CHEMBL3094190) Show SMILES CN(C)CCCC1(OCc2cc(CN3CCN(CC3)c3cccc(Cl)c3Cl)ccc12)c1ccc(F)cc1 Show InChI InChI=1S/C30H34Cl2FN3O/c1-34(2)14-4-13-30(24-8-10-25(33)11-9-24)26-12-7-22(19-23(26)21-37-30)20-35-15-17-36(18-16-35)28-6-3-5-27(31)29(28)32/h3,5-12,19H,4,13-18,20-21H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from Sprague-Dawley rat brain stem SERT site S1 by scintillation counting analysis				J Med Chem 56: 9709-24 (2013) Article DOI: 10.1021/jm4014136 BindingDB Entry DOI: 10.7270/Q2N58Q90
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50494767 (CHEMBL3094194) Show SMILES CN(C)CCCC1(OCc2cc(CNCc3ccc-4c(Cc5ccccc-45)c3)ccc12)c1ccc(F)cc1 Show InChI InChI=1S/C34H35FN2O/c1-37(2)17-5-16-34(29-10-12-30(35)13-11-29)33-15-9-25(19-28(33)23-38-34)22-36-21-24-8-14-32-27(18-24)20-26-6-3-4-7-31(26)32/h3-4,6-15,18-19,36H,5,16-17,20-23H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from Sprague-Dawley rat brain stem SERT site S1 by scintillation counting analysis				J Med Chem 56: 9709-24 (2013) Article DOI: 10.1021/jm4014136 BindingDB Entry DOI: 10.7270/Q2N58Q90
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50494795 (CHEMBL3094177) Show SMILES CN(CCCCc1ccccc1)CCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1 Show InChI InChI=1S/C29H31FN2O/c1-32(18-6-5-10-23-8-3-2-4-9-23)19-7-17-29(26-12-14-27(30)15-13-26)28-16-11-24(21-31)20-25(28)22-33-29/h2-4,8-9,11-16,20H,5-7,10,17-19,22H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from Sprague-Dawley rat brain stem SERT site S1 by scintillation counting analysis				J Med Chem 56: 9709-24 (2013) Article DOI: 10.1021/jm4014136 BindingDB Entry DOI: 10.7270/Q2N58Q90
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50234233 (CHEMBL3094164) Show SMILES CN(C)CCCC1(OCc2cc(ccc12)-c1ccc(N)cc1)c1ccc(F)cc1 Show InChI InChI=1S/C25H27FN2O/c1-28(2)15-3-14-25(21-7-9-22(26)10-8-21)24-13-6-19(16-20(24)17-29-25)18-4-11-23(27)12-5-18/h4-13,16H,3,14-15,17,27H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from Sprague-Dawley rat brain stem SERT site S1 by scintillation counting analysis				J Med Chem 56: 9709-24 (2013) Article DOI: 10.1021/jm4014136 BindingDB Entry DOI: 10.7270/Q2N58Q90
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50234233 (CHEMBL3094164) Show SMILES CN(C)CCCC1(OCc2cc(ccc12)-c1ccc(N)cc1)c1ccc(F)cc1 Show InChI InChI=1S/C25H27FN2O/c1-28(2)15-3-14-25(21-7-9-22(26)10-8-21)24-13-6-19(16-20(24)17-29-25)18-4-11-23(27)12-5-18/h4-13,16H,3,14-15,17,27H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3D-2drug, LLC Curated by ChEMBL					Assay Description Displacement of [3H]-(+/-)-citalopram from Sprague-Dawley rat brain SERT primary site (S1) after 2 hrs by liquid scintillation counting method				Bioorg Med Chem Lett 27: 470-478 (2017) Article DOI: 10.1016/j.bmcl.2016.12.037 BindingDB Entry DOI: 10.7270/Q2X63Q6K
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50494769 (CHEMBL3094159) Show SMILES CN(C)CCCC1(OCc2cc(CN(C)CCCC3(OCc4cc(ccc34)C#N)c3ccc(F)cc3)ccc12)c1ccc(F)cc1 Show InChI InChI=1S/C39H41F2N3O2/c1-43(2)20-4-18-38(32-8-12-34(40)13-9-32)37-17-7-29(23-31(37)27-46-38)25-44(3)21-5-19-39(33-10-14-35(41)15-11-33)36-16-6-28(24-42)22-30(36)26-45-39/h6-17,22-23H,4-5,18-21,25-27H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from Sprague-Dawley rat brain stem SERT site S1 by scintillation counting analysis				J Med Chem 56: 9709-24 (2013) Article DOI: 10.1021/jm4014136 BindingDB Entry DOI: 10.7270/Q2N58Q90
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50494796 (CHEMBL3094196) Show SMILES CN(C)CCCC1(OCc2cc(CN(C)C)ccc12)c1ccc(F)cc1 Show InChI InChI=1S/C22H29FN2O/c1-24(2)13-5-12-22(19-7-9-20(23)10-8-19)21-11-6-17(15-25(3)4)14-18(21)16-26-22/h6-11,14H,5,12-13,15-16H2,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from Sprague-Dawley rat brain stem SERT site S1 by scintillation counting analysis				J Med Chem 56: 9709-24 (2013) Article DOI: 10.1021/jm4014136 BindingDB Entry DOI: 10.7270/Q2N58Q90
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50494784 (CHEMBL3094169) Show SMILES CN(C)CCCC1(OCc2cc(ccc12)C#N)c1ccc(\C=C\c2ccccc2)cc1 Show InChI InChI=1S/C28H28N2O/c1-30(2)18-6-17-28(27-16-13-24(20-29)19-25(27)21-31-28)26-14-11-23(12-15-26)10-9-22-7-4-3-5-8-22/h3-5,7-16,19H,6,17-18,21H2,1-2H3/b10-9+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from Sprague-Dawley rat brain stem SERT site S1 by scintillation counting analysis				J Med Chem 56: 9709-24 (2013) Article DOI: 10.1021/jm4014136 BindingDB Entry DOI: 10.7270/Q2N58Q90
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50494764 (CHEMBL3094176) Show SMILES CN(CCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1)CCc1ccccc1 Show InChI InChI=1S/C27H27FN2O/c1-30(17-14-21-6-3-2-4-7-21)16-5-15-27(24-9-11-25(28)12-10-24)26-13-8-22(19-29)18-23(26)20-31-27/h2-4,6-13,18H,5,14-17,20H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from Sprague-Dawley rat brain stem SERT site S1 by scintillation counting analysis				J Med Chem 56: 9709-24 (2013) Article DOI: 10.1021/jm4014136 BindingDB Entry DOI: 10.7270/Q2N58Q90
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50494768 (CHEMBL3094185) Show SMILES CN(C)CCCC1(OCc2cc(CN)ccc12)c1ccc(F)cc1 Show InChI InChI=1S/C20H25FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,13-14,22H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from Sprague-Dawley rat brain stem SERT site S1 by scintillation counting analysis				J Med Chem 56: 9709-24 (2013) Article DOI: 10.1021/jm4014136 BindingDB Entry DOI: 10.7270/Q2N58Q90
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50494774 (CHEMBL3094163) Show SMILES CN(CCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1)C1CCC(=CC1)c1c[nH]c2ccccc12 |c:29| Show InChI InChI=1S/C33H32FN3O/c1-37(28-14-8-24(9-15-28)30-21-36-32-6-3-2-5-29(30)32)18-4-17-33(26-10-12-27(34)13-11-26)31-16-7-23(20-35)19-25(31)22-38-33/h2-3,5-8,10-13,16,19,21,28,36H,4,9,14-15,17-18,22H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from Sprague-Dawley rat brain stem SERT site S1 by scintillation counting analysis				J Med Chem 56: 9709-24 (2013) Article DOI: 10.1021/jm4014136 BindingDB Entry DOI: 10.7270/Q2N58Q90
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50494770 (CHEMBL3094161) Show SMILES COc1ccc2[nH]cc(CN(C)CCCC3(OCc4cc(ccc34)C#N)c3ccc(F)cc3)c2c1 Show InChI InChI=1S/C29H28FN3O2/c1-33(18-22-17-32-28-11-9-25(34-2)15-26(22)28)13-3-12-29(23-5-7-24(30)8-6-23)27-10-4-20(16-31)14-21(27)19-35-29/h4-11,14-15,17,32H,3,12-13,18-19H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from Sprague-Dawley rat brain stem SERT site S1 by scintillation counting analysis				J Med Chem 56: 9709-24 (2013) Article DOI: 10.1021/jm4014136 BindingDB Entry DOI: 10.7270/Q2N58Q90
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50494766 (CHEMBL3094167) Show SMILES CN(C)CCCC(O)(c1ccc(Br)cc1)c1ccc(cc1CO)C#N Show InChI InChI=1S/C20H23BrN2O2/c1-23(2)11-3-10-20(25,17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24/h4-9,12,24-25H,3,10-11,14H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from Sprague-Dawley rat brain stem SERT site S1 by scintillation counting analysis				J Med Chem 56: 9709-24 (2013) Article DOI: 10.1021/jm4014136 BindingDB Entry DOI: 10.7270/Q2N58Q90
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50494772 (CHEMBL3094170) Show SMILES CN(C)CCCC1(OCc2cc(ccc12)C#N)c1ccc(cc1)-c1cccc(c1)C#N Show InChI InChI=1S/C27H25N3O/c1-30(2)14-4-13-27(26-12-7-21(18-29)16-24(26)19-31-27)25-10-8-22(9-11-25)23-6-3-5-20(15-23)17-28/h3,5-12,15-16H,4,13-14,19H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from Sprague-Dawley rat brain stem SERT site S1 by scintillation counting analysis				J Med Chem 56: 9709-24 (2013) Article DOI: 10.1021/jm4014136 BindingDB Entry DOI: 10.7270/Q2N58Q90
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50494762 (CHEMBL3094160) Show SMILES CN(CCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1)Cc1c[nH]c2ccccc12 Show InChI InChI=1S/C28H26FN3O/c1-32(18-22-17-31-27-6-3-2-5-25(22)27)14-4-13-28(23-8-10-24(29)11-9-23)26-12-7-20(16-30)15-21(26)19-33-28/h2-3,5-12,15,17,31H,4,13-14,18-19H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from Sprague-Dawley rat brain stem SERT site S1 by scintillation counting analysis				J Med Chem 56: 9709-24 (2013) Article DOI: 10.1021/jm4014136 BindingDB Entry DOI: 10.7270/Q2N58Q90
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50494780 (CHEMBL3094178) Show SMILES CN(CCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1)Cc1coc2ccccc12 Show InChI InChI=1S/C28H25FN2O2/c1-31(17-22-18-32-27-6-3-2-5-25(22)27)14-4-13-28(23-8-10-24(29)11-9-23)26-12-7-20(16-30)15-21(26)19-33-28/h2-3,5-12,15,18H,4,13-14,17,19H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from Sprague-Dawley rat brain stem SERT site S1 by scintillation counting analysis				J Med Chem 56: 9709-24 (2013) Article DOI: 10.1021/jm4014136 BindingDB Entry DOI: 10.7270/Q2N58Q90
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50494781 (CHEMBL3094175) Show SMILES CCCCN(C)CCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1 Show InChI InChI=1S/C23H27FN2O/c1-3-4-13-26(2)14-5-12-23(20-7-9-21(24)10-8-20)22-11-6-18(16-25)15-19(22)17-27-23/h6-11,15H,3-5,12-14,17H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from Sprague-Dawley rat brain stem SERT site S1 by scintillation counting analysis				J Med Chem 56: 9709-24 (2013) Article DOI: 10.1021/jm4014136 BindingDB Entry DOI: 10.7270/Q2N58Q90
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50494765 (CHEMBL3094173) Show SMILES CN(CCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1)CC1CC1 Show InChI InChI=1S/C23H25FN2O/c1-26(15-17-3-4-17)12-2-11-23(20-6-8-21(24)9-7-20)22-10-5-18(14-25)13-19(22)16-27-23/h5-10,13,17H,2-4,11-12,15-16H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	93	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from Sprague-Dawley rat brain stem SERT site S1 by scintillation counting analysis				J Med Chem 56: 9709-24 (2013) Article DOI: 10.1021/jm4014136 BindingDB Entry DOI: 10.7270/Q2N58Q90
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50494779 (CHEMBL3094180) Show SMILES CN(CCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1)Cc1ccc(cc1)N(C)C Show InChI InChI=1S/C28H30FN3O/c1-31(2)26-12-5-21(6-13-26)19-32(3)16-4-15-28(24-8-10-25(29)11-9-24)27-14-7-22(18-30)17-23(27)20-33-28/h5-14,17H,4,15-16,19-20H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	97	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from Sprague-Dawley rat brain stem SERT site S1 by scintillation counting analysis				J Med Chem 56: 9709-24 (2013) Article DOI: 10.1021/jm4014136 BindingDB Entry DOI: 10.7270/Q2N58Q90
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50494777 (CHEMBL3094157) Show SMILES CN(CCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1)Cc1ccc2ccccc2c1 Show InChI InChI=1S/C30H27FN2O/c1-33(20-23-7-9-24-5-2-3-6-25(24)18-23)16-4-15-30(27-10-12-28(31)13-11-27)29-14-8-22(19-32)17-26(29)21-34-30/h2-3,5-14,17-18H,4,15-16,20-21H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	99	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from Sprague-Dawley rat brain stem SERT site S1 by scintillation counting analysis				J Med Chem 56: 9709-24 (2013) Article DOI: 10.1021/jm4014136 BindingDB Entry DOI: 10.7270/Q2N58Q90
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50494775 (CHEMBL3094162) Show SMILES CN(CCN)CCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1 Show InChI InChI=1S/C21H24FN3O/c1-25(12-10-23)11-2-9-21(18-4-6-19(22)7-5-18)20-8-3-16(14-24)13-17(20)15-26-21/h3-8,13H,2,9-12,15,23H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	114	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from Sprague-Dawley rat brain stem SERT site S1 by scintillation counting analysis				J Med Chem 56: 9709-24 (2013) Article DOI: 10.1021/jm4014136 BindingDB Entry DOI: 10.7270/Q2N58Q90
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50494800 (CHEMBL3094174) Show SMILES CCCN(C)CCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1 Show InChI InChI=1S/C22H25FN2O/c1-3-12-25(2)13-4-11-22(19-6-8-20(23)9-7-19)21-10-5-17(15-24)14-18(21)16-26-22/h5-10,14H,3-4,11-13,16H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	118	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from Sprague-Dawley rat brain stem SERT site S1 by scintillation counting analysis				J Med Chem 56: 9709-24 (2013) Article DOI: 10.1021/jm4014136 BindingDB Entry DOI: 10.7270/Q2N58Q90
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50494783 (CHEMBL3094171) Show SMILES CN(C)CCCC1(OCc2cc(ccc12)C#N)c1ccc(cc1)-c1cccc(N)c1 Show InChI InChI=1S/C26H27N3O/c1-29(2)14-4-13-26(25-12-7-19(17-27)15-22(25)18-30-26)23-10-8-20(9-11-23)21-5-3-6-24(28)16-21/h3,5-12,15-16H,4,13-14,18,28H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	125	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from Sprague-Dawley rat brain stem SERT site S1 by scintillation counting analysis				J Med Chem 56: 9709-24 (2013) Article DOI: 10.1021/jm4014136 BindingDB Entry DOI: 10.7270/Q2N58Q90
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50494778 (CHEMBL3094181) Show SMILES CN(CCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1)Cc1ccncc1 Show InChI InChI=1S/C25H24FN3O/c1-29(17-19-9-12-28-13-10-19)14-2-11-25(22-4-6-23(26)7-5-22)24-8-3-20(16-27)15-21(24)18-30-25/h3-10,12-13,15H,2,11,14,17-18H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	152	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from Sprague-Dawley rat brain stem SERT site S1 by scintillation counting analysis				J Med Chem 56: 9709-24 (2013) Article DOI: 10.1021/jm4014136 BindingDB Entry DOI: 10.7270/Q2N58Q90
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50494763 (CHEMBL3094156) Show SMILES CN(CCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1)Cc1ccnc2ccccc12 Show InChI InChI=1S/C29H26FN3O/c1-33(19-22-13-15-32-28-6-3-2-5-26(22)28)16-4-14-29(24-8-10-25(30)11-9-24)27-12-7-21(18-31)17-23(27)20-34-29/h2-3,5-13,15,17H,4,14,16,19-20H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	404	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from Sprague-Dawley rat brain stem SERT site S1 by scintillation counting analysis				J Med Chem 56: 9709-24 (2013) Article DOI: 10.1021/jm4014136 BindingDB Entry DOI: 10.7270/Q2N58Q90
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50494782 (CHEMBL3094172) Show SMILES CN(C)CCCC1(COc2ccc(Br)cc12)c1ccc(F)cc1 Show InChI InChI=1S/C19H21BrFNO/c1-22(2)11-3-10-19(14-4-7-16(21)8-5-14)13-23-18-9-6-15(20)12-17(18)19/h4-9,12H,3,10-11,13H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	681	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from Sprague-Dawley rat brain stem SERT site S1 by scintillation counting analysis				J Med Chem 56: 9709-24 (2013) Article DOI: 10.1021/jm4014136 BindingDB Entry DOI: 10.7270/Q2N58Q90
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50234233 (CHEMBL3094164) Show SMILES CN(C)CCCC1(OCc2cc(ccc12)-c1ccc(N)cc1)c1ccc(F)cc1 Show InChI InChI=1S/C25H27FN2O/c1-28(2)15-3-14-25(21-7-9-22(26)10-8-21)24-13-6-19(16-20(24)17-29-25)18-4-11-23(27)12-5-18/h4-13,16H,3,14-15,17,27H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3D-2drug, LLC Curated by ChEMBL					Assay Description Inhibition of [3H]-S-citalopram dissociation from human SERT allosteric modulator site (S2) expressed in African green monkey COS7 cell membranes aft...				Bioorg Med Chem Lett 27: 470-478 (2017) Article DOI: 10.1016/j.bmcl.2016.12.037 BindingDB Entry DOI: 10.7270/Q2X63Q6K
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50234236 (CHEMBL4072807) Show SMILES CN(C)CCCC(=O)c1ccc2c(COC2(CCCN(C)C)c2ccc(F)cc2)c1 Show InChI InChI=1S/C25H33FN2O2/c1-27(2)15-5-7-24(29)19-8-13-23-20(17-19)18-30-25(23,14-6-16-28(3)4)21-9-11-22(26)12-10-21/h8-13,17H,5-7,14-16,18H2,1-4H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
3D-2drug, LLC Curated by ChEMBL					Assay Description Inhibition of [3H]5-HT uptake by SERT primary site (S1) (unknown origin) expressed in African green monkey COS1 cells after 10 mins by TopCount scint...				Bioorg Med Chem Lett 27: 470-478 (2017) Article DOI: 10.1016/j.bmcl.2016.12.037 BindingDB Entry DOI: 10.7270/Q2X63Q6K
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50302225 ((1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl...) Show SMILES CN(C)CCC[C@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1 |r| Show InChI InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
3D-2drug, LLC Curated by ChEMBL					Assay Description Inhibition of [3H]5-HT uptake by SERT primary site (S1) (unknown origin) expressed in African green monkey COS1 cells after 10 mins by TopCount scint...				Bioorg Med Chem Lett 27: 470-478 (2017) Article DOI: 10.1016/j.bmcl.2016.12.037 BindingDB Entry DOI: 10.7270/Q2X63Q6K
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50234228 (CHEMBL4093518) Show SMILES CN(C)CCCC1(OCc2c1ccc1ccccc21)c1ccc(F)cc1 Show InChI InChI=1S/C23H24FNO/c1-25(2)15-5-14-23(18-9-11-19(24)12-10-18)22-13-8-17-6-3-4-7-20(17)21(22)16-26-23/h3-4,6-13H,5,14-16H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
3D-2drug, LLC Curated by ChEMBL					Assay Description Inhibition of [3H]5-HT uptake by SERT primary site (S1) (unknown origin) expressed in African green monkey COS1 cells after 10 mins by TopCount scint...				Bioorg Med Chem Lett 27: 470-478 (2017) Article DOI: 10.1016/j.bmcl.2016.12.037 BindingDB Entry DOI: 10.7270/Q2X63Q6K
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM25870 (1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3...) Show SMILES CN(C)CCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1 Show InChI InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
3D-2drug, LLC Curated by ChEMBL					Assay Description Inhibition of [3H]5-HT uptake by SERT primary site (S1) (unknown origin) expressed in African green monkey COS1 cells after 10 mins by TopCount scint...				Bioorg Med Chem Lett 27: 470-478 (2017) Article DOI: 10.1016/j.bmcl.2016.12.037 BindingDB Entry DOI: 10.7270/Q2X63Q6K
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50234229 (CHEMBL4064213) Show SMILES CN(C)CCCC1(OCc2cc3ccccc3cc12)c1ccc(F)cc1 Show InChI InChI=1S/C23H24FNO/c1-25(2)13-5-12-23(20-8-10-21(24)11-9-20)22-15-18-7-4-3-6-17(18)14-19(22)16-26-23/h3-4,6-11,14-15H,5,12-13,16H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
3D-2drug, LLC Curated by ChEMBL					Assay Description Inhibition of [3H]5-HT uptake by SERT primary site (S1) (unknown origin) expressed in African green monkey COS1 cells after 10 mins by TopCount scint...				Bioorg Med Chem Lett 27: 470-478 (2017) Article DOI: 10.1016/j.bmcl.2016.12.037 BindingDB Entry DOI: 10.7270/Q2X63Q6K
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50234234 (CHEMBL4070493) Show SMILES CN(C)CCCC1(OCc2cc(ccc12)C#N)c1ccc2ccccc2c1 Show InChI InChI=1S/C24H24N2O/c1-26(2)13-5-12-24(22-10-9-19-6-3-4-7-20(19)15-22)23-11-8-18(16-25)14-21(23)17-27-24/h3-4,6-11,14-15H,5,12-13,17H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
3D-2drug, LLC Curated by ChEMBL					Assay Description Inhibition of [3H]5-HT uptake by SERT primary site (S1) (unknown origin) expressed in African green monkey COS1 cells after 10 mins by TopCount scint...				Bioorg Med Chem Lett 27: 470-478 (2017) Article DOI: 10.1016/j.bmcl.2016.12.037 BindingDB Entry DOI: 10.7270/Q2X63Q6K
					More data for this Ligand-Target Pair

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