Compile Data Set for Download or QSAR

Found 305 hits with Last Name = 'mccreary' and Initial = 'a'   

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))	BDBM50176019 ((R)-8-(4-(3-(5-fluoro-1H-indol-3-yl)propyl)piperaz...) Show SMILES C[C@H]1Oc2c(NC1=O)cccc2N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1 Show InChI InChI=1S/C24H27FN4O2/c1-16-24(30)27-21-5-2-6-22(23(21)31-16)29-12-10-28(11-13-29)9-3-4-17-15-26-20-8-7-18(25)14-19(17)20/h2,5-8,14-16,26H,3-4,9-13H2,1H3,(H,27,30)/t16-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description In vitro inhibitory constant against [3H]-paroxetine binding to rat frontal cortex membrane serotonin reuptake site				J Med Chem 48: 6855-69 (2005) Article DOI: 10.1021/jm050148z BindingDB Entry DOI: 10.7270/Q21C1WFP
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50176024 (3-{3-[4-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-pipera...) Show SMILES Fc1ccc2[nH]cc(CCCN3CCN(CC3)c3cccc4OCCOc34)c2c1 Show InChI InChI=1S/C23H26FN3O2/c24-18-6-7-20-19(15-18)17(16-25-20)3-2-8-26-9-11-27(12-10-26)21-4-1-5-22-23(21)29-14-13-28-22/h1,4-7,15-16,25H,2-3,8-14H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description In vitro inhibitory constant against [3H]-paroxetine binding to rat frontal cortex membrane serotonin reuptake site				J Med Chem 48: 6855-69 (2005) Article DOI: 10.1021/jm050148z BindingDB Entry DOI: 10.7270/Q21C1WFP
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50123075 (4-Fluoro-2-{5-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihy...) Show SMILES Fc1ccc2[nH]cc(C3=CCN(CCCCCN4C(=O)c5cccc(F)c5C4=O)CC3)c2c1 |t:8| Show InChI InChI=1S/C26H25F2N3O2/c27-18-7-8-23-20(15-18)21(16-29-23)17-9-13-30(14-10-17)11-2-1-3-12-31-25(32)19-5-4-6-22(28)24(19)26(31)33/h4-9,15-16,29H,1-3,10-14H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description In vitro binding affinity for serotonin reuptake sites in rat frontal cortex membranes by [3H]-paroxetine displacement.				Bioorg Med Chem Lett 13: 405-8 (2003) BindingDB Entry DOI: 10.7270/Q2Z89BSX
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50176049 (3-{3-[4-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-pipera...) Show SMILES Cc1ccc2[nH]cc(CCCN3CCN(CC3)c3cccc4OCCOc34)c2c1 Show InChI InChI=1S/C24H29N3O2/c1-18-7-8-21-20(16-18)19(17-25-21)4-3-9-26-10-12-27(13-11-26)22-5-2-6-23-24(22)29-15-14-28-23/h2,5-8,16-17,25H,3-4,9-15H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description In vitro inhibitory constant against [3H]-paroxetine binding to rat frontal cortex membrane serotonin reuptake site				J Med Chem 48: 6855-69 (2005) Article DOI: 10.1021/jm050148z BindingDB Entry DOI: 10.7270/Q21C1WFP
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50176044 (3-{3-[4-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-pipera...) Show SMILES Fc1cccc2[nH]cc(CCCN3CCN(CC3)c3cccc4OCCOc34)c12 Show InChI InChI=1S/C23H26FN3O2/c24-18-5-1-6-19-22(18)17(16-25-19)4-3-9-26-10-12-27(13-11-26)20-7-2-8-21-23(20)29-15-14-28-21/h1-2,5-8,16,25H,3-4,9-15H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description In vitro inhibitory constant against [3H]-paroxetine binding to rat frontal cortex membrane serotonin reuptake site				J Med Chem 48: 6855-69 (2005) Article DOI: 10.1021/jm050148z BindingDB Entry DOI: 10.7270/Q21C1WFP
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50176035 (8-{4-[3-(1H-Indol-3-yl)-propyl]-piperazin-1-yl}-2-...) Show SMILES CC1Oc2c(NC1=O)cccc2N1CCN(CCCc2c[nH]c3ccccc23)CC1 Show InChI InChI=1S/C24H28N4O2/c1-17-24(29)26-21-9-4-10-22(23(21)30-17)28-14-12-27(13-15-28)11-5-6-18-16-25-20-8-3-2-7-19(18)20/h2-4,7-10,16-17,25H,5-6,11-15H2,1H3,(H,26,29)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description In vitro inhibitory constant against [3H]-paroxetine binding to rat frontal cortex membrane serotonin reuptake site				J Med Chem 48: 6855-69 (2005) Article DOI: 10.1021/jm050148z BindingDB Entry DOI: 10.7270/Q21C1WFP
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50302220 (7-((1-((6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-...) Show SMILES Fc1ccc2[nH]c3CCC(CN4CCC(COc5cccc6[nH]c(=O)oc56)CC4)Cc3c2c1 Show InChI InChI=1S/C26H28FN3O3/c27-18-5-7-22-20(13-18)19-12-17(4-6-21(19)28-22)14-30-10-8-16(9-11-30)15-32-24-3-1-2-23-25(24)33-26(31)29-23/h1-3,5,7,13,16-17,28H,4,6,8-12,14-15H2,(H,29,31)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from human serotonin transporter expressed in HEK293 cells by scintillation proximity assay				Bioorg Med Chem Lett 19: 5552-5 (2009) Article DOI: 10.1016/j.bmcl.2009.08.050 BindingDB Entry DOI: 10.7270/Q2Z89DCC
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50176021 (3-{3-[4-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-pipera...) Show SMILES C(CN1CCN(CC1)c1cccc2OCCOc12)Cc1c[nH]c2ccccc12 Show InChI InChI=1S/C23H27N3O2/c1-2-7-20-19(6-1)18(17-24-20)5-4-10-25-11-13-26(14-12-25)21-8-3-9-22-23(21)28-16-15-27-22/h1-3,6-9,17,24H,4-5,10-16H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description In vitro inhibitory constant against [3H]-paroxetine binding to rat frontal cortex membrane serotonin reuptake site				J Med Chem 48: 6855-69 (2005) Article DOI: 10.1021/jm050148z BindingDB Entry DOI: 10.7270/Q21C1WFP
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50176020 ((R)-8-{4-[3-(1H-Indol-3-yl)-propyl]-piperazin-1-yl...) Show SMILES C[C@H]1Oc2c(NC1=O)cccc2N1CCN(CCCc2c[nH]c3ccccc23)CC1 Show InChI InChI=1S/C24H28N4O2/c1-17-24(29)26-21-9-4-10-22(23(21)30-17)28-14-12-27(13-15-28)11-5-6-18-16-25-20-8-3-2-7-19(18)20/h2-4,7-10,16-17,25H,5-6,11-15H2,1H3,(H,26,29)/t17-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description In vitro inhibitory constant against [3H]-paroxetine binding to rat frontal cortex membrane serotonin reuptake site				J Med Chem 48: 6855-69 (2005) Article DOI: 10.1021/jm050148z BindingDB Entry DOI: 10.7270/Q21C1WFP
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50176042 (5-Chloro-3-{3-[4-(2,3-dihydro-benzo[1,4]dioxin-5-y...) Show SMILES Clc1ccc2[nH]cc(CCCN3CCN(CC3)c3cccc4OCCOc34)c2c1 Show InChI InChI=1S/C23H26ClN3O2/c24-18-6-7-20-19(15-18)17(16-25-20)3-2-8-26-9-11-27(12-10-26)21-4-1-5-22-23(21)29-14-13-28-22/h1,4-7,15-16,25H,2-3,8-14H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description In vitro inhibitory constant against [3H]-paroxetine binding to rat frontal cortex membrane serotonin reuptake site				J Med Chem 48: 6855-69 (2005) Article DOI: 10.1021/jm050148z BindingDB Entry DOI: 10.7270/Q21C1WFP
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50176034 (8-{4-[3-(1H-Indol-3-yl)-propyl]-piperazin-1-yl}-4H...) Show SMILES O=C1COc2c(N1)cccc2N1CCN(CCCc2c[nH]c3ccccc23)CC1 Show InChI InChI=1S/C23H26N4O2/c28-22-16-29-23-20(25-22)8-3-9-21(23)27-13-11-26(12-14-27)10-4-5-17-15-24-19-7-2-1-6-18(17)19/h1-3,6-9,15,24H,4-5,10-14,16H2,(H,25,28)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description In vitro inhibitory constant against [3H]-paroxetine binding to rat frontal cortex membrane serotonin reuptake site				J Med Chem 48: 6855-69 (2005) Article DOI: 10.1021/jm050148z BindingDB Entry DOI: 10.7270/Q21C1WFP
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50123069 (2-(4-(4-(5-fluoro-1H-indol-3-yl)-5,6-dihydropyridi...) Show SMILES Fc1ccc2[nH]cc(C3=CCN(CCCCN4C(=O)c5ccccc5C4=O)CC3)c2c1 |t:8| Show InChI InChI=1S/C25H24FN3O2/c26-18-7-8-23-21(15-18)22(16-27-23)17-9-13-28(14-10-17)11-3-4-12-29-24(30)19-5-1-2-6-20(19)25(29)31/h1-2,5-9,15-16,27H,3-4,10-14H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description In vitro binding affinity for serotonin reuptake sites in rat frontal cortex membranes by [3H]-paroxetine displacement.				Bioorg Med Chem Lett 13: 405-8 (2003) BindingDB Entry DOI: 10.7270/Q2Z89BSX
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50176045 (3-{3-[4-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-pipera...) Show SMILES Fc1cccc2c(CCCN3CCN(CC3)c3cccc4OCCOc34)c[nH]c12 Show InChI InChI=1S/C23H26FN3O2/c24-19-6-1-5-18-17(16-25-22(18)19)4-3-9-26-10-12-27(13-11-26)20-7-2-8-21-23(20)29-15-14-28-21/h1-2,5-8,16,25H,3-4,9-15H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description In vitro inhibitory constant against [3H]-paroxetine binding to rat frontal cortex membrane serotonin reuptake site				J Med Chem 48: 6855-69 (2005) Article DOI: 10.1021/jm050148z BindingDB Entry DOI: 10.7270/Q21C1WFP
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50176041 ((S)-8-{4-[3-(5-Fluoro-1H-indol-3-yl)-propyl]-piper...) Show SMILES C[C@@H]1Oc2c(NC1=O)cccc2N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1 Show InChI InChI=1S/C24H27FN4O2/c1-16-24(30)27-21-5-2-6-22(23(21)31-16)29-12-10-28(11-13-29)9-3-4-17-15-26-20-8-7-18(25)14-19(17)20/h2,5-8,14-16,26H,3-4,9-13H2,1H3,(H,27,30)/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description In vitro inhibitory constant against [3H]-paroxetine binding to rat frontal cortex membrane serotonin reuptake site				J Med Chem 48: 6855-69 (2005) Article DOI: 10.1021/jm050148z BindingDB Entry DOI: 10.7270/Q21C1WFP
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50123081 (4-Fluoro-2-{5-[4-(1H-indol-3-yl)-3,6-dihydro-2H-py...) Show SMILES Fc1cccc2C(=O)N(CCCCCN3CCC(=CC3)c3c[nH]c4ccccc34)C(=O)c12 |c:17| Show InChI InChI=1S/C26H26FN3O2/c27-22-9-6-8-20-24(22)26(32)30(25(20)31)14-5-1-4-13-29-15-11-18(12-16-29)21-17-28-23-10-3-2-7-19(21)23/h2-3,6-11,17,28H,1,4-5,12-16H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description In vitro binding affinity for serotonin reuptake sites in rat frontal cortex membranes by [3H]-paroxetine displacement.				Bioorg Med Chem Lett 13: 405-8 (2003) BindingDB Entry DOI: 10.7270/Q2Z89BSX
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50123076 (2-{7-[4-(5-Fluoro-1H-indol-3-yl)-3,6-dihydro-2H-py...) Show SMILES Fc1ccc2[nH]cc(C3=CCN(CCCCCCCN4C(=O)c5ccccc5C4=O)CC3)c2c1 |t:8| Show InChI InChI=1S/C28H30FN3O2/c29-21-10-11-26-24(18-21)25(19-30-26)20-12-16-31(17-13-20)14-6-2-1-3-7-15-32-27(33)22-8-4-5-9-23(22)28(32)34/h4-5,8-12,18-19,30H,1-3,6-7,13-17H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description In vitro binding affinity for serotonin reuptake sites in rat frontal cortex membranes by [3H]-paroxetine displacement.				Bioorg Med Chem Lett 13: 405-8 (2003) BindingDB Entry DOI: 10.7270/Q2Z89BSX
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50176023 ((S)-8-{4-[3-(1H-Indol-3-yl)-propyl]-piperazin-1-yl...) Show SMILES C[C@@H]1Oc2c(NC1=O)cccc2N1CCN(CCCc2c[nH]c3ccccc23)CC1 Show InChI InChI=1S/C24H28N4O2/c1-17-24(29)26-21-9-4-10-22(23(21)30-17)28-14-12-27(13-15-28)11-5-6-18-16-25-20-8-3-2-7-19(18)20/h2-4,7-10,16-17,25H,5-6,11-15H2,1H3,(H,26,29)/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description In vitro inhibitory constant against [3H]-paroxetine binding to rat frontal cortex membrane serotonin reuptake site				J Med Chem 48: 6855-69 (2005) Article DOI: 10.1021/jm050148z BindingDB Entry DOI: 10.7270/Q21C1WFP
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50176023 ((S)-8-{4-[3-(1H-Indol-3-yl)-propyl]-piperazin-1-yl...) Show SMILES C[C@@H]1Oc2c(NC1=O)cccc2N1CCN(CCCc2c[nH]c3ccccc23)CC1 Show InChI InChI=1S/C24H28N4O2/c1-17-24(29)26-21-9-4-10-22(23(21)30-17)28-14-12-27(13-15-28)11-5-6-18-16-25-20-8-3-2-7-19(18)20/h2-4,7-10,16-17,25H,5-6,11-15H2,1H3,(H,26,29)/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description In vitro inhibitory constant against [3H]-spiperone binding to human dopamine D2 receptor expressed in CHO cells				J Med Chem 48: 6855-69 (2005) Article DOI: 10.1021/jm050148z BindingDB Entry DOI: 10.7270/Q21C1WFP
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50123070 (2-{5-[4-(5-Fluoro-1H-indol-3-yl)-3,6-dihydro-2H-py...) Show SMILES Cc1cccc2C(=O)N(CCCCCN3CCC(=CC3)c3c[nH]c4ccc(F)cc34)C(=O)c12 |c:17| Show InChI InChI=1S/C27H28FN3O2/c1-18-6-5-7-21-25(18)27(33)31(26(21)32)13-4-2-3-12-30-14-10-19(11-15-30)23-17-29-24-9-8-20(28)16-22(23)24/h5-10,16-17,29H,2-4,11-15H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description In vitro binding affinity for serotonin reuptake sites in rat frontal cortex membranes by [3H]-paroxetine displacement.				Bioorg Med Chem Lett 13: 405-8 (2003) BindingDB Entry DOI: 10.7270/Q2Z89BSX
					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	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from human serotonin transporter expressed in HEK293 cells by scintillation proximity assay				Bioorg Med Chem Lett 19: 5552-5 (2009) Article DOI: 10.1016/j.bmcl.2009.08.050 BindingDB Entry DOI: 10.7270/Q2Z89DCC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50123080 (2-{5-[4-(1H-Indol-3-yl)-3,6-dihydro-2H-pyridin-1-y...) Show SMILES Cc1cccc2C(=O)N(CCCCCN3CCC(=CC3)c3c[nH]c4ccccc34)C(=O)c12 |c:17| Show InChI InChI=1S/C27H29N3O2/c1-19-8-7-10-22-25(19)27(32)30(26(22)31)15-6-2-5-14-29-16-12-20(13-17-29)23-18-28-24-11-4-3-9-21(23)24/h3-4,7-12,18,28H,2,5-6,13-17H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description In vitro binding affinity for serotonin reuptake sites in rat frontal cortex membranes by [3H]-paroxetine displacement.				Bioorg Med Chem Lett 13: 405-8 (2003) BindingDB Entry DOI: 10.7270/Q2Z89BSX
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50176043 ((S)-8-{4-[3-(7-Fluoro-1H-indol-3-yl)-propyl]-piper...) Show SMILES C[C@@H]1Oc2c(NC1=O)cccc2N1CCN(CCCc2c[nH]c3c(F)cccc23)CC1 Show InChI InChI=1S/C24H27FN4O2/c1-16-24(30)27-20-8-3-9-21(23(20)31-16)29-13-11-28(12-14-29)10-4-5-17-15-26-22-18(17)6-2-7-19(22)25/h2-3,6-9,15-16,26H,4-5,10-14H2,1H3,(H,27,30)/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description In vitro inhibitory constant against [3H]-spiperone binding to human dopamine D2 receptor expressed in CHO cells				J Med Chem 48: 6855-69 (2005) Article DOI: 10.1021/jm050148z BindingDB Entry DOI: 10.7270/Q21C1WFP
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50176028 (5-{4-[3-(1H-Indol-3-yl)-propyl]-piperazin-1-yl}-1,...) Show SMILES C(CN1CCN(CC1)c1cccc2NCCCc12)Cc1c[nH]c2ccccc12 Show InChI InChI=1S/C24H30N4/c1-2-9-22-20(7-1)19(18-26-22)6-5-13-27-14-16-28(17-15-27)24-11-3-10-23-21(24)8-4-12-25-23/h1-3,7,9-11,18,25-26H,4-6,8,12-17H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description In vitro inhibitory constant against [3H]-paroxetine binding to rat frontal cortex membrane serotonin reuptake site				J Med Chem 48: 6855-69 (2005) Article DOI: 10.1021/jm050148z BindingDB Entry DOI: 10.7270/Q21C1WFP
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50176032 (3-[3-(4-Chroman-5-yl-piperazin-1-yl)-propyl]-1H-in...) Show SMILES C(CN1CCN(CC1)c1cccc2OCCCc12)Cc1c[nH]c2ccccc12 Show InChI InChI=1S/C24H29N3O/c1-2-9-22-20(7-1)19(18-25-22)6-4-12-26-13-15-27(16-14-26)23-10-3-11-24-21(23)8-5-17-28-24/h1-3,7,9-11,18,25H,4-6,8,12-17H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description In vitro inhibitory constant against [3H]-paroxetine binding to rat frontal cortex membrane serotonin reuptake site				J Med Chem 48: 6855-69 (2005) Article DOI: 10.1021/jm050148z BindingDB Entry DOI: 10.7270/Q21C1WFP
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50123072 (5-Fluoro-2-{5-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihy...) Show SMILES Fc1ccc2C(=O)N(CCCCCN3CCC(=CC3)c3c[nH]c4ccc(F)cc34)C(=O)c2c1 |c:16| Show InChI InChI=1S/C26H25F2N3O2/c27-18-4-6-20-22(15-18)26(33)31(25(20)32)11-3-1-2-10-30-12-8-17(9-13-30)23-16-29-24-7-5-19(28)14-21(23)24/h4-8,14-16,29H,1-3,9-13H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description In vitro binding affinity for serotonin reuptake sites in rat frontal cortex membranes by [3H]-paroxetine displacement.				Bioorg Med Chem Lett 13: 405-8 (2003) BindingDB Entry DOI: 10.7270/Q2Z89BSX
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50123074 (2-{5-[4-(7-Methyl-1H-indol-3-yl)-3,6-dihydro-2H-py...) Show SMILES Cc1cccc2c(c[nH]c12)C1=CCN(CCCCCN2C(=O)c3ccccc3C2=O)CC1 |t:12| Show InChI InChI=1S/C27H29N3O2/c1-19-8-7-11-21-24(18-28-25(19)21)20-12-16-29(17-13-20)14-5-2-6-15-30-26(31)22-9-3-4-10-23(22)27(30)32/h3-4,7-12,18,28H,2,5-6,13-17H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description In vitro binding affinity for serotonin reuptake sites in rat frontal cortex membranes by [3H]-paroxetine displacement.				Bioorg Med Chem Lett 13: 405-8 (2003) BindingDB Entry DOI: 10.7270/Q2Z89BSX
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50176025 (4-Chloro-3-{3-[4-(2,3-dihydro-benzo[1,4]dioxin-5-y...) Show SMILES Clc1cccc2[nH]cc(CCCN3CCN(CC3)c3cccc4OCCOc34)c12 Show InChI InChI=1S/C23H26ClN3O2/c24-18-5-1-6-19-22(18)17(16-25-19)4-3-9-26-10-12-27(13-11-26)20-7-2-8-21-23(20)29-15-14-28-21/h1-2,5-8,16,25H,3-4,9-15H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description In vitro inhibitory constant against [3H]-paroxetine binding to rat frontal cortex membrane serotonin reuptake site				J Med Chem 48: 6855-69 (2005) Article DOI: 10.1021/jm050148z BindingDB Entry DOI: 10.7270/Q21C1WFP
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50176039 (8-{4-[3-(1H-Indol-3-yl)-propyl]-piperazin-1-yl}-2,...) Show SMILES CC1Oc2c(cccc2N(C)C1=O)N1CCN(CCCc2c[nH]c3ccccc23)CC1 Show InChI InChI=1S/C25H30N4O2/c1-18-25(30)27(2)22-10-5-11-23(24(22)31-18)29-15-13-28(14-16-29)12-6-7-19-17-26-21-9-4-3-8-20(19)21/h3-5,8-11,17-18,26H,6-7,12-16H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description In vitro inhibitory constant against [3H]-paroxetine binding to rat frontal cortex membrane serotonin reuptake site				J Med Chem 48: 6855-69 (2005) Article DOI: 10.1021/jm050148z BindingDB Entry DOI: 10.7270/Q21C1WFP
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50176029 (8-{4-[3-(1H-Indol-3-yl)-propyl]-piperazin-1-yl}-3,...) Show SMILES C(CN1CCN(CC1)c1cccc2NCCOc12)Cc1c[nH]c2ccccc12 Show InChI InChI=1S/C23H28N4O/c1-2-7-20-19(6-1)18(17-25-20)5-4-11-26-12-14-27(15-13-26)22-9-3-8-21-23(22)28-16-10-24-21/h1-3,6-9,17,24-25H,4-5,10-16H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description In vitro inhibitory constant against [3H]-paroxetine binding to rat frontal cortex membrane serotonin reuptake site				J Med Chem 48: 6855-69 (2005) Article DOI: 10.1021/jm050148z BindingDB Entry DOI: 10.7270/Q21C1WFP
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50176033 (5-{4-[3-(1H-Indol-3-yl)-propyl]-piperazin-1-yl}-3,...) Show SMILES O=C1CCc2c(N1)cccc2N1CCN(CCCc2c[nH]c3ccccc23)CC1 Show InChI InChI=1S/C24H28N4O/c29-24-11-10-20-22(26-24)8-3-9-23(20)28-15-13-27(14-16-28)12-4-5-18-17-25-21-7-2-1-6-19(18)21/h1-3,6-9,17,25H,4-5,10-16H2,(H,26,29)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description In vitro inhibitory constant against [3H]-paroxetine binding to rat frontal cortex membrane serotonin reuptake site				J Med Chem 48: 6855-69 (2005) Article DOI: 10.1021/jm050148z BindingDB Entry DOI: 10.7270/Q21C1WFP
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50176036 (3-{3-[4-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-pipera...) Show SMILES Fc1ccc2c(CCCN3CCN(CC3)c3cccc4OCCOc34)c[nH]c2c1 Show InChI InChI=1S/C23H26FN3O2/c24-18-6-7-19-17(16-25-20(19)15-18)3-2-8-26-9-11-27(12-10-26)21-4-1-5-22-23(21)29-14-13-28-22/h1,4-7,15-16,25H,2-3,8-14H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description In vitro inhibitory constant against [3H]-paroxetine binding to rat frontal cortex membrane serotonin reuptake site				J Med Chem 48: 6855-69 (2005) Article DOI: 10.1021/jm050148z BindingDB Entry DOI: 10.7270/Q21C1WFP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50302213 ((3S)-3-(((6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-...) Show SMILES Fc1ccc2[nH]c3CCC(CNC[C@H]4COc5c6CC(=O)Nc6ccc5O4)Cc3c2c1 |r| Show InChI InChI=1S/C24H24FN3O3/c25-14-2-4-20-17(8-14)16-7-13(1-3-19(16)27-20)10-26-11-15-12-30-24-18-9-23(29)28-21(18)5-6-22(24)31-15/h2,4-6,8,13,15,26-27H,1,3,7,9-12H2,(H,28,29)/t13?,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Agonist activity at 5-HT2A receptor				Bioorg Med Chem Lett 19: 5552-5 (2009) Article DOI: 10.1016/j.bmcl.2009.08.050 BindingDB Entry DOI: 10.7270/Q2Z89DCC
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description In vitro inhibitory constant against [3H]-spiperone binding to human dopamine D2 receptor expressed in CHO cells				J Med Chem 48: 6855-69 (2005) Article DOI: 10.1021/jm050148z BindingDB Entry DOI: 10.7270/Q21C1WFP
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50029150 (3-(2-Piperidin-4-yl-ethyl)-1H-indole | CHEMBL27652...) Show SMILES C(Cc1c[nH]c2ccccc12)C1CCNCC1 Show InChI InChI=1S/C15H20N2/c1-2-4-15-14(3-1)13(11-17-15)6-5-12-7-9-16-10-8-12/h1-4,11-12,16-17H,5-10H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description In vitro inhibitory constant against [3H]-paroxetine binding to rat frontal cortex membrane serotonin reuptake site				J Med Chem 48: 6855-69 (2005) Article DOI: 10.1021/jm050148z BindingDB Entry DOI: 10.7270/Q21C1WFP
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50123073 (1-(4-Fluoro-phenyl)-4-{4-[2-(1H-indol-3-yl)-ethyl]...) Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC(CCc2c[nH]c3ccccc23)CC1 Show InChI InChI=1S/C25H29FN2O/c26-22-11-9-20(10-12-22)25(29)6-3-15-28-16-13-19(14-17-28)7-8-21-18-27-24-5-2-1-4-23(21)24/h1-2,4-5,9-12,18-19,27H,3,6-8,13-17H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description In vitro binding affinity for serotonin reuptake sites in rat frontal cortex membranes by [3H]-paroxetine displacement.				Bioorg Med Chem Lett 13: 405-8 (2003) BindingDB Entry DOI: 10.7270/Q2Z89BSX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50302213 ((3S)-3-(((6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-...) Show SMILES Fc1ccc2[nH]c3CCC(CNC[C@H]4COc5c6CC(=O)Nc6ccc5O4)Cc3c2c1 |r| Show InChI InChI=1S/C24H24FN3O3/c25-14-2-4-20-17(8-14)16-7-13(1-3-19(16)27-20)10-26-11-15-12-30-24-18-9-23(29)28-21(18)5-6-22(24)31-15/h2,4-6,8,13,15,26-27H,1,3,7,9-12H2,(H,28,29)/t13?,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Agonist activity at 5-HT2A receptor				Bioorg Med Chem Lett 19: 5552-5 (2009) Article DOI: 10.1016/j.bmcl.2009.08.050 BindingDB Entry DOI: 10.7270/Q2Z89DCC
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50176031 (6-Chloro-3-{3-[4-(2,3-dihydro-benzo[1,4]dioxin-5-y...) Show SMILES Clc1ccc2c(CCCN3CCN(CC3)c3cccc4OCCOc34)c[nH]c2c1 Show InChI InChI=1S/C23H26ClN3O2/c24-18-6-7-19-17(16-25-20(19)15-18)3-2-8-26-9-11-27(12-10-26)21-4-1-5-22-23(21)29-14-13-28-22/h1,4-7,15-16,25H,2-3,8-14H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description In vitro inhibitory constant against [3H]-paroxetine binding to rat frontal cortex membrane serotonin reuptake site				J Med Chem 48: 6855-69 (2005) Article DOI: 10.1021/jm050148z BindingDB Entry DOI: 10.7270/Q21C1WFP
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50123083 (2-{5-[4-(1H-Indol-3-yl)-3,6-dihydro-2H-pyridin-1-y...) Show SMILES Cc1ccc2C(=O)N(CCCCCN3CCC(=CC3)c3c[nH]c4ccccc34)C(=O)c2c1 |c:16| Show InChI InChI=1S/C27H29N3O2/c1-19-9-10-22-23(17-19)27(32)30(26(22)31)14-6-2-5-13-29-15-11-20(12-16-29)24-18-28-25-8-4-3-7-21(24)25/h3-4,7-11,17-18,28H,2,5-6,12-16H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description In vitro binding affinity for serotonin reuptake sites in rat frontal cortex membranes by [3H]-paroxetine displacement.				Bioorg Med Chem Lett 13: 405-8 (2003) BindingDB Entry DOI: 10.7270/Q2Z89BSX
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50123077 (5-Fluoro-2-{5-[4-(1H-indol-3-yl)-3,6-dihydro-2H-py...) Show SMILES Fc1ccc2C(=O)N(CCCCCN3CCC(=CC3)c3c[nH]c4ccccc34)C(=O)c2c1 |c:16| Show InChI InChI=1S/C26H26FN3O2/c27-19-8-9-21-22(16-19)26(32)30(25(21)31)13-5-1-4-12-29-14-10-18(11-15-29)23-17-28-24-7-3-2-6-20(23)24/h2-3,6-10,16-17,28H,1,4-5,11-15H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description In vitro binding affinity for serotonin reuptake sites in rat frontal cortex membranes by [3H]-paroxetine displacement.				Bioorg Med Chem Lett 13: 405-8 (2003) BindingDB Entry DOI: 10.7270/Q2Z89BSX
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50176031 (6-Chloro-3-{3-[4-(2,3-dihydro-benzo[1,4]dioxin-5-y...) Show SMILES Clc1ccc2c(CCCN3CCN(CC3)c3cccc4OCCOc34)c[nH]c2c1 Show InChI InChI=1S/C23H26ClN3O2/c24-18-6-7-19-17(16-25-20(19)15-18)3-2-8-26-9-11-27(12-10-26)21-4-1-5-22-23(21)29-14-13-28-22/h1,4-7,15-16,25H,2-3,8-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description In vitro inhibitory constant against [3H]-spiperone binding to human dopamine D2 receptor expressed in CHO cells				J Med Chem 48: 6855-69 (2005) Article DOI: 10.1021/jm050148z BindingDB Entry DOI: 10.7270/Q21C1WFP
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50176040 ((R)-8-{4-[3-(7-Fluoro-1H-indol-3-yl)-propyl]-piper...) Show SMILES C[C@H]1Oc2c(NC1=O)cccc2N1CCN(CCCc2c[nH]c3c(F)cccc23)CC1 Show InChI InChI=1S/C24H27FN4O2/c1-16-24(30)27-20-8-3-9-21(23(20)31-16)29-13-11-28(12-14-29)10-4-5-17-15-26-22-18(17)6-2-7-19(22)25/h2-3,6-9,15-16,26H,4-5,10-14H2,1H3,(H,27,30)/t16-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description In vitro inhibitory constant against [3H]-paroxetine binding to rat frontal cortex membrane serotonin reuptake site				J Med Chem 48: 6855-69 (2005) Article DOI: 10.1021/jm050148z BindingDB Entry DOI: 10.7270/Q21C1WFP
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50123078 (2-{5-[4-(1H-Indol-3-yl)-3,6-dihydro-2H-pyridin-1-y...) Show SMILES O=C1N(CCCCCN2CCC(=CC2)c2c[nH]c3ccccc23)C(=O)c2ccccc12 |c:11| Show InChI InChI=1S/C26H27N3O2/c30-25-21-9-2-3-10-22(21)26(31)29(25)15-7-1-6-14-28-16-12-19(13-17-28)23-18-27-24-11-5-4-8-20(23)24/h2-5,8-12,18,27H,1,6-7,13-17H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description In vitro binding affinity for serotonin reuptake sites in rat frontal cortex membranes by [3H]-paroxetine displacement.				Bioorg Med Chem Lett 13: 405-8 (2003) BindingDB Entry DOI: 10.7270/Q2Z89BSX
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50029150 (3-(2-Piperidin-4-yl-ethyl)-1H-indole | CHEMBL27652...) Show SMILES C(Cc1c[nH]c2ccccc12)C1CCNCC1 Show InChI InChI=1S/C15H20N2/c1-2-4-15-14(3-1)13(11-17-15)6-5-12-7-9-16-10-8-12/h1-4,11-12,16-17H,5-10H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description In vitro binding affinity for serotonin reuptake sites in rat frontal cortex membranes by [3H]-paroxetine displacement.				Bioorg Med Chem Lett 13: 405-8 (2003) BindingDB Entry DOI: 10.7270/Q2Z89BSX
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50123082 (2-{5-[4-(5-Fluoro-1H-indol-3-yl)-3,6-dihydro-2H-py...) Show SMILES Fc1ccc2[nH]cc(C3=CCN(CCCCCN4C(=O)c5ccccc5C4=O)CC3)c2c1 |t:8| Show InChI InChI=1S/C26H26FN3O2/c27-19-8-9-24-22(16-19)23(17-28-24)18-10-14-29(15-11-18)12-4-1-5-13-30-25(31)20-6-2-3-7-21(20)26(30)32/h2-3,6-10,16-17,28H,1,4-5,11-15H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description In vitro binding affinity for serotonin reuptake sites in rat frontal cortex membranes by [3H]-paroxetine displacement.				Bioorg Med Chem Lett 13: 405-8 (2003) BindingDB Entry DOI: 10.7270/Q2Z89BSX
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50176022 (5-{4-[3-(1H-Indol-3-yl)-propyl]-piperazin-1-yl}-3-...) Show SMILES CC1CNc2cccc(N3CCN(CCCc4c[nH]c5ccccc45)CC3)c2C1 Show InChI InChI=1S/C25H32N4/c1-19-16-22-24(26-17-19)9-4-10-25(22)29-14-12-28(13-15-29)11-5-6-20-18-27-23-8-3-2-7-21(20)23/h2-4,7-10,18-19,26-27H,5-6,11-17H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description In vitro inhibitory constant against [3H]-paroxetine binding to rat frontal cortex membrane serotonin reuptake site				J Med Chem 48: 6855-69 (2005) Article DOI: 10.1021/jm050148z BindingDB Entry DOI: 10.7270/Q21C1WFP
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50176026 (8-{4-[3-(1H-Indol-3-yl)-propyl]-piperazin-1-yl}-2,...) Show SMILES CC1(C)Oc2c(NC1=O)cccc2N1CCN(CCCc2c[nH]c3ccccc23)CC1 Show InChI InChI=1S/C25H30N4O2/c1-25(2)24(30)27-21-10-5-11-22(23(21)31-25)29-15-13-28(14-16-29)12-6-7-18-17-26-20-9-4-3-8-19(18)20/h3-5,8-11,17,26H,6-7,12-16H2,1-2H3,(H,27,30)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description In vitro inhibitory constant against [3H]-paroxetine binding to rat frontal cortex membrane serotonin reuptake site				J Med Chem 48: 6855-69 (2005) Article DOI: 10.1021/jm050148z BindingDB Entry DOI: 10.7270/Q21C1WFP
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description In vitro binding affinity at human cloned dopamine receptor D2 (long) stably expressed in CHO cells by [3H]-Spiperone displacement.				Bioorg Med Chem Lett 13: 405-8 (2003) BindingDB Entry DOI: 10.7270/Q2Z89BSX
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50123071 (2-{5-[4-(5-Fluoro-1H-indol-3-yl)-3,6-dihydro-2H-py...) Show SMILES Cc1ccc2C(=O)N(CCCCCN3CCC(=CC3)c3c[nH]c4ccc(F)cc34)C(=O)c2c1 |c:16| Show InChI InChI=1S/C27H28FN3O2/c1-18-5-7-21-23(15-18)27(33)31(26(21)32)12-4-2-3-11-30-13-9-19(10-14-30)24-17-29-25-8-6-20(28)16-22(24)25/h5-9,15-17,29H,2-4,10-14H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description In vitro binding affinity for serotonin reuptake sites in rat frontal cortex membranes by [3H]-paroxetine displacement.				Bioorg Med Chem Lett 13: 405-8 (2003) BindingDB Entry DOI: 10.7270/Q2Z89BSX
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50302213 ((3S)-3-(((6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-...) Show SMILES Fc1ccc2[nH]c3CCC(CNC[C@H]4COc5c6CC(=O)Nc6ccc5O4)Cc3c2c1 |r| Show InChI InChI=1S/C24H24FN3O3/c25-14-2-4-20-17(8-14)16-7-13(1-3-19(16)27-20)10-26-11-15-12-30-24-18-9-23(29)28-21(18)5-6-22(24)31-15/h2,4-6,8,13,15,26-27H,1,3,7,9-12H2,(H,28,29)/t13?,15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from D2 receptor				Bioorg Med Chem Lett 19: 5552-5 (2009) Article DOI: 10.1016/j.bmcl.2009.08.050 BindingDB Entry DOI: 10.7270/Q2Z89DCC
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50176043 ((S)-8-{4-[3-(7-Fluoro-1H-indol-3-yl)-propyl]-piper...) Show SMILES C[C@@H]1Oc2c(NC1=O)cccc2N1CCN(CCCc2c[nH]c3c(F)cccc23)CC1 Show InChI InChI=1S/C24H27FN4O2/c1-16-24(30)27-20-8-3-9-21(23(20)31-16)29-13-11-28(12-14-29)10-4-5-17-15-26-22-18(17)6-2-7-19(22)25/h2-3,6-9,15-16,26H,4-5,10-14H2,1H3,(H,27,30)/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description In vitro inhibitory constant against [3H]-paroxetine binding to rat frontal cortex membrane serotonin reuptake site				J Med Chem 48: 6855-69 (2005) Article DOI: 10.1021/jm050148z BindingDB Entry DOI: 10.7270/Q21C1WFP
					More data for this Ligand-Target Pair

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