Compile Data Set for Download or QSAR

Found 24 hits Enz. Inhib. hit(s) with all data for entry = 50027601   

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))	BDBM50279520 (2-{4-[4-(1H-Indol-3-yl)-piperidin-1-yl]-butyl}-4-p...) Show SMILES Cc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCC(CC2)c2c[nH]c3ccccc23)c1=O Show InChI InChI=1S/C32H34N4O2/c1-23-11-13-25(14-12-23)30-29-10-4-5-18-35(29)32(38)36(31(30)37)19-7-6-17-34-20-15-24(16-21-34)27-22-33-28-9-3-2-8-26(27)28/h2-5,8-14,18,22,24,33H,6-7,15-17,19-21H2,1H3	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
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from 5HTT in rat brain membranes				Eur J Med Chem 44: 1710-7 (2009) Article DOI: 10.1016/j.ejmech.2008.09.021 BindingDB Entry DOI: 10.7270/Q22N5249
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50279541 (2-(4-(4-(1H-indol-3-yl)piperidin-1-yl)butyl)-4-(2-...) Show SMILES Fc1ccccc1-c1c2ccccn2c(=O)n(CCCCN2CCC(CC2)c2c[nH]c3ccccc23)c1=O |(-3.9,-32.75,;-5.23,-31.98,;-5.23,-30.44,;-6.57,-29.67,;-7.91,-30.46,;-7.9,-31.99,;-6.57,-32.75,;-6.56,-34.29,;-7.89,-35.07,;-9.23,-34.29,;-10.57,-35.07,;-10.57,-36.62,;-9.23,-37.39,;-7.89,-36.62,;-6.55,-37.39,;-6.55,-38.93,;-5.21,-36.61,;-3.88,-37.38,;-2.54,-36.61,;-1.21,-37.38,;.12,-36.61,;1.46,-37.38,;1.45,-38.93,;2.78,-39.7,;4.11,-38.94,;4.12,-37.39,;2.78,-36.61,;5.45,-39.71,;5.61,-41.24,;7.11,-41.56,;7.88,-40.23,;9.39,-39.92,;9.87,-38.46,;8.83,-37.31,;7.33,-37.63,;6.86,-39.08,;-5.21,-35.06,;-3.88,-34.29,)| Show InChI InChI=1S/C31H31FN4O2/c32-26-11-3-1-10-24(26)29-28-13-5-6-17-35(28)31(38)36(30(29)37)18-8-7-16-34-19-14-22(15-20-34)25-21-33-27-12-4-2-9-23(25)27/h1-6,9-13,17,21-22,33H,7-8,14-16,18-20H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	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
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from 5HTT in rat brain membranes				Eur J Med Chem 44: 1710-7 (2009) Article DOI: 10.1016/j.ejmech.2008.09.021 BindingDB Entry DOI: 10.7270/Q22N5249
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50279541 (2-(4-(4-(1H-indol-3-yl)piperidin-1-yl)butyl)-4-(2-...) Show SMILES Fc1ccccc1-c1c2ccccn2c(=O)n(CCCCN2CCC(CC2)c2c[nH]c3ccccc23)c1=O |(-3.9,-32.75,;-5.23,-31.98,;-5.23,-30.44,;-6.57,-29.67,;-7.91,-30.46,;-7.9,-31.99,;-6.57,-32.75,;-6.56,-34.29,;-7.89,-35.07,;-9.23,-34.29,;-10.57,-35.07,;-10.57,-36.62,;-9.23,-37.39,;-7.89,-36.62,;-6.55,-37.39,;-6.55,-38.93,;-5.21,-36.61,;-3.88,-37.38,;-2.54,-36.61,;-1.21,-37.38,;.12,-36.61,;1.46,-37.38,;1.45,-38.93,;2.78,-39.7,;4.11,-38.94,;4.12,-37.39,;2.78,-36.61,;5.45,-39.71,;5.61,-41.24,;7.11,-41.56,;7.88,-40.23,;9.39,-39.92,;9.87,-38.46,;8.83,-37.31,;7.33,-37.63,;6.86,-39.08,;-5.21,-35.06,;-3.88,-34.29,)| Show InChI InChI=1S/C31H31FN4O2/c32-26-11-3-1-10-24(26)29-28-13-5-6-17-35(28)31(38)36(30(29)37)18-8-7-16-34-19-14-22(15-20-34)25-21-33-27-12-4-2-9-23(25)27/h1-6,9-13,17,21-22,33H,7-8,14-16,18-20H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat brain membranes				Eur J Med Chem 44: 1710-7 (2009) Article DOI: 10.1016/j.ejmech.2008.09.021 BindingDB Entry DOI: 10.7270/Q22N5249
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50279520 (2-{4-[4-(1H-Indol-3-yl)-piperidin-1-yl]-butyl}-4-p...) Show SMILES Cc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCC(CC2)c2c[nH]c3ccccc23)c1=O Show InChI InChI=1S/C32H34N4O2/c1-23-11-13-25(14-12-23)30-29-10-4-5-18-35(29)32(38)36(31(30)37)19-7-6-17-34-20-15-24(16-21-34)27-22-33-28-9-3-2-8-26(27)28/h2-5,8-14,18,22,24,33H,6-7,15-17,19-21H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat brain membranes				Eur J Med Chem 44: 1710-7 (2009) Article DOI: 10.1016/j.ejmech.2008.09.021 BindingDB Entry DOI: 10.7270/Q22N5249
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50279540 (4-(4-Fluoro-phenyl)-2-{4-[4-(1H-indol-3-yl)-piperi...) Show SMILES Fc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCC(CC2)c2c[nH]c3ccccc23)c1=O Show InChI InChI=1S/C31H31FN4O2/c32-24-12-10-23(11-13-24)29-28-9-3-4-17-35(28)31(38)36(30(29)37)18-6-5-16-34-19-14-22(15-20-34)26-21-33-27-8-2-1-7-25(26)27/h1-4,7-13,17,21-22,33H,5-6,14-16,18-20H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat brain membranes				Eur J Med Chem 44: 1710-7 (2009) Article DOI: 10.1016/j.ejmech.2008.09.021 BindingDB Entry DOI: 10.7270/Q22N5249
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50279561 (2-(4-(4-(1H-indol-3-yl)piperidin-1-yl)butyl)-4-phe...) Show SMILES O=c1c(-c2ccccc2)c2ccccn2c(=O)n1CCCCN1CCC(CC1)c1c[nH]c2ccccc12 Show InChI InChI=1S/C31H32N4O2/c36-30-29(24-10-2-1-3-11-24)28-14-6-7-18-34(28)31(37)35(30)19-9-8-17-33-20-15-23(16-21-33)26-22-32-27-13-5-4-12-25(26)27/h1-7,10-14,18,22-23,32H,8-9,15-17,19-21H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat brain membranes				Eur J Med Chem 44: 1710-7 (2009) Article DOI: 10.1016/j.ejmech.2008.09.021 BindingDB Entry DOI: 10.7270/Q22N5249
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50279586 (4-(2-fluorophenyl)-2-(4-(4-(5-methoxy-1H-indol-3-y...) Show SMILES COc1ccc2[nH]cc(C3CCN(CCCCn4c(=O)c(-c5ccccc5F)c5ccccn5c4=O)CC3)c2c1 |(9.93,-30.98,;8.42,-31.3,;7.94,-32.77,;8.98,-33.91,;8.5,-35.38,;6.99,-35.69,;6.22,-37.02,;4.71,-36.69,;4.56,-35.17,;3.22,-34.39,;1.89,-35.15,;.56,-34.38,;.57,-32.84,;-.77,-32.07,;-2.1,-32.84,;-3.43,-32.07,;-4.77,-32.84,;-6.1,-32.07,;-6.1,-30.52,;-4.77,-29.75,;-7.45,-29.74,;-7.45,-28.21,;-8.79,-27.45,;-8.8,-25.91,;-7.46,-25.13,;-6.12,-25.9,;-6.12,-27.44,;-4.79,-28.2,;-8.78,-30.52,;-10.12,-29.74,;-11.45,-30.52,;-11.45,-32.07,;-10.12,-32.84,;-8.78,-32.07,;-7.44,-32.84,;-7.44,-34.38,;1.89,-32.07,;3.23,-32.85,;5.97,-34.54,;6.44,-33.09,)| Show InChI InChI=1S/C32H33FN4O3/c1-40-23-11-12-28-25(20-23)26(21-34-28)22-13-18-35(19-14-22)15-6-7-17-37-31(38)30(24-8-2-3-9-27(24)33)29-10-4-5-16-36(29)32(37)39/h2-5,8-12,16,20-22,34H,6-7,13-15,17-19H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat brain membranes				Eur J Med Chem 44: 1710-7 (2009) Article DOI: 10.1016/j.ejmech.2008.09.021 BindingDB Entry DOI: 10.7270/Q22N5249
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50279585 (4-(4-fluorophenyl)-2-(4-(4-(5-methoxy-1H-indol-3-y...) Show SMILES COc1ccc2[nH]cc(C3CCN(CCCCn4c(=O)c(-c5ccc(F)cc5)c5ccccn5c4=O)CC3)c2c1 Show InChI InChI=1S/C32H33FN4O3/c1-40-25-11-12-28-26(20-25)27(21-34-28)22-13-18-35(19-14-22)15-4-5-17-37-31(38)30(23-7-9-24(33)10-8-23)29-6-2-3-16-36(29)32(37)39/h2-3,6-12,16,20-22,34H,4-5,13-15,17-19H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	34.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat brain membranes				Eur J Med Chem 44: 1710-7 (2009) Article DOI: 10.1016/j.ejmech.2008.09.021 BindingDB Entry DOI: 10.7270/Q22N5249
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50279539 (4-(4-Chloro-phenyl)-2-{4-[4-(1H-indol-3-yl)-piperi...) Show SMILES Clc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCC(CC2)c2c[nH]c3ccccc23)c1=O Show InChI InChI=1S/C31H31ClN4O2/c32-24-12-10-23(11-13-24)29-28-9-3-4-17-35(28)31(38)36(30(29)37)18-6-5-16-34-19-14-22(15-20-34)26-21-33-27-8-2-1-7-25(26)27/h1-4,7-13,17,21-22,33H,5-6,14-16,18-20H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	37.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat brain membranes				Eur J Med Chem 44: 1710-7 (2009) Article DOI: 10.1016/j.ejmech.2008.09.021 BindingDB Entry DOI: 10.7270/Q22N5249
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50279540 (4-(4-Fluoro-phenyl)-2-{4-[4-(1H-indol-3-yl)-piperi...) Show SMILES Fc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCC(CC2)c2c[nH]c3ccccc23)c1=O Show InChI InChI=1S/C31H31FN4O2/c32-24-12-10-23(11-13-24)29-28-9-3-4-17-35(28)31(38)36(30(29)37)18-6-5-16-34-19-14-22(15-20-34)26-21-33-27-8-2-1-7-25(26)27/h1-4,7-13,17,21-22,33H,5-6,14-16,18-20H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	37.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from 5HTT in rat brain membranes				Eur J Med Chem 44: 1710-7 (2009) Article DOI: 10.1016/j.ejmech.2008.09.021 BindingDB Entry DOI: 10.7270/Q22N5249
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50279564 (4-(4-chlorophenyl)-2-(4-(4-(5-methoxy-1H-indol-3-y...) Show SMILES COc1ccc2[nH]cc(C3CCN(CCCCn4c(=O)c(-c5ccc(Cl)cc5)c5ccccn5c4=O)CC3)c2c1 Show InChI InChI=1S/C32H33ClN4O3/c1-40-25-11-12-28-26(20-25)27(21-34-28)22-13-18-35(19-14-22)15-4-5-17-37-31(38)30(23-7-9-24(33)10-8-23)29-6-2-3-16-36(29)32(37)39/h2-3,6-12,16,20-22,34H,4-5,13-15,17-19H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	41.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat brain membranes				Eur J Med Chem 44: 1710-7 (2009) Article DOI: 10.1016/j.ejmech.2008.09.021 BindingDB Entry DOI: 10.7270/Q22N5249
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50279519 (2-{4-[4-(1H-Indol-3-yl)-piperidin-1-yl]-butyl}-4-(...) Show SMILES COc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCC(CC2)c2c[nH]c3ccccc23)c1=O Show InChI InChI=1S/C32H34N4O3/c1-39-25-13-11-24(12-14-25)30-29-10-4-5-18-35(29)32(38)36(31(30)37)19-7-6-17-34-20-15-23(16-21-34)27-22-33-28-9-3-2-8-26(27)28/h2-5,8-14,18,22-23,33H,6-7,15-17,19-21H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	42.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat brain membranes				Eur J Med Chem 44: 1710-7 (2009) Article DOI: 10.1016/j.ejmech.2008.09.021 BindingDB Entry DOI: 10.7270/Q22N5249
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50279587 (2-(4-(4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl)bu...) Show SMILES COc1ccc2[nH]cc(C3CCN(CCCCn4c(=O)c(-c5ccccc5)c5ccccn5c4=O)CC3)c2c1 Show InChI InChI=1S/C32H34N4O3/c1-39-25-12-13-28-26(21-25)27(22-33-28)23-14-19-34(20-15-23)16-7-8-18-36-31(37)30(24-9-3-2-4-10-24)29-11-5-6-17-35(29)32(36)38/h2-6,9-13,17,21-23,33H,7-8,14-16,18-20H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	52.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat brain membranes				Eur J Med Chem 44: 1710-7 (2009) Article DOI: 10.1016/j.ejmech.2008.09.021 BindingDB Entry DOI: 10.7270/Q22N5249
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50279585 (4-(4-fluorophenyl)-2-(4-(4-(5-methoxy-1H-indol-3-y...) Show SMILES COc1ccc2[nH]cc(C3CCN(CCCCn4c(=O)c(-c5ccc(F)cc5)c5ccccn5c4=O)CC3)c2c1 Show InChI InChI=1S/C32H33FN4O3/c1-40-25-11-12-28-26(20-25)27(21-34-28)22-13-18-35(19-14-22)15-4-5-17-37-31(38)30(23-7-9-24(33)10-8-23)29-6-2-3-16-36(29)32(37)39/h2-3,6-12,16,20-22,34H,4-5,13-15,17-19H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	54.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from 5HTT in rat brain membranes				Eur J Med Chem 44: 1710-7 (2009) Article DOI: 10.1016/j.ejmech.2008.09.021 BindingDB Entry DOI: 10.7270/Q22N5249
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50279561 (2-(4-(4-(1H-indol-3-yl)piperidin-1-yl)butyl)-4-phe...) Show SMILES O=c1c(-c2ccccc2)c2ccccn2c(=O)n1CCCCN1CCC(CC1)c1c[nH]c2ccccc12 Show InChI InChI=1S/C31H32N4O2/c36-30-29(24-10-2-1-3-11-24)28-14-6-7-18-34(28)31(37)35(30)19-9-8-17-33-20-15-23(16-21-33)26-22-32-27-13-5-4-12-25(26)27/h1-7,10-14,18,22-23,32H,8-9,15-17,19-21H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	58.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from 5HTT in rat brain membranes				Eur J Med Chem 44: 1710-7 (2009) Article DOI: 10.1016/j.ejmech.2008.09.021 BindingDB Entry DOI: 10.7270/Q22N5249
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50279563 (2-(4-(4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl)bu...) Show SMILES COc1ccc2[nH]cc(C3CCN(CCCCn4c(=O)c(-c5ccc(C)cc5)c5ccccn5c4=O)CC3)c2c1 Show InChI InChI=1S/C33H36N4O3/c1-23-8-10-25(11-9-23)31-30-7-3-4-17-36(30)33(39)37(32(31)38)18-6-5-16-35-19-14-24(15-20-35)28-22-34-29-13-12-26(40-2)21-27(28)29/h3-4,7-13,17,21-22,24,34H,5-6,14-16,18-20H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat brain membranes				Eur J Med Chem 44: 1710-7 (2009) Article DOI: 10.1016/j.ejmech.2008.09.021 BindingDB Entry DOI: 10.7270/Q22N5249
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50279586 (4-(2-fluorophenyl)-2-(4-(4-(5-methoxy-1H-indol-3-y...) Show SMILES COc1ccc2[nH]cc(C3CCN(CCCCn4c(=O)c(-c5ccccc5F)c5ccccn5c4=O)CC3)c2c1 |(9.93,-30.98,;8.42,-31.3,;7.94,-32.77,;8.98,-33.91,;8.5,-35.38,;6.99,-35.69,;6.22,-37.02,;4.71,-36.69,;4.56,-35.17,;3.22,-34.39,;1.89,-35.15,;.56,-34.38,;.57,-32.84,;-.77,-32.07,;-2.1,-32.84,;-3.43,-32.07,;-4.77,-32.84,;-6.1,-32.07,;-6.1,-30.52,;-4.77,-29.75,;-7.45,-29.74,;-7.45,-28.21,;-8.79,-27.45,;-8.8,-25.91,;-7.46,-25.13,;-6.12,-25.9,;-6.12,-27.44,;-4.79,-28.2,;-8.78,-30.52,;-10.12,-29.74,;-11.45,-30.52,;-11.45,-32.07,;-10.12,-32.84,;-8.78,-32.07,;-7.44,-32.84,;-7.44,-34.38,;1.89,-32.07,;3.23,-32.85,;5.97,-34.54,;6.44,-33.09,)| Show InChI InChI=1S/C32H33FN4O3/c1-40-23-11-12-28-25(20-23)26(21-34-28)22-13-18-35(19-14-22)15-6-7-17-37-31(38)30(24-8-2-3-9-27(24)33)29-10-4-5-16-36(29)32(37)39/h2-5,8-12,16,20-22,34H,6-7,13-15,17-19H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	59.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from 5HTT in rat brain membranes				Eur J Med Chem 44: 1710-7 (2009) Article DOI: 10.1016/j.ejmech.2008.09.021 BindingDB Entry DOI: 10.7270/Q22N5249
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50279562 (2-(4-(4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl)bu...) Show SMILES COc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCC(CC2)c2c[nH]c3ccc(OC)cc23)c1=O Show InChI InChI=1S/C33H36N4O4/c1-40-25-10-8-24(9-11-25)31-30-7-3-4-17-36(30)33(39)37(32(31)38)18-6-5-16-35-19-14-23(15-20-35)28-22-34-29-13-12-26(41-2)21-27(28)29/h3-4,7-13,17,21-23,34H,5-6,14-16,18-20H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	78	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat brain membranes				Eur J Med Chem 44: 1710-7 (2009) Article DOI: 10.1016/j.ejmech.2008.09.021 BindingDB Entry DOI: 10.7270/Q22N5249
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50279587 (2-(4-(4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl)bu...) Show SMILES COc1ccc2[nH]cc(C3CCN(CCCCn4c(=O)c(-c5ccccc5)c5ccccn5c4=O)CC3)c2c1 Show InChI InChI=1S/C32H34N4O3/c1-39-25-12-13-28-26(21-25)27(22-33-28)23-14-19-34(20-15-23)16-7-8-18-36-31(37)30(24-9-3-2-4-10-24)29-11-5-6-17-35(29)32(36)38/h2-6,9-13,17,21-23,33H,7-8,14-16,18-20H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	129	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from 5HTT in rat brain membranes				Eur J Med Chem 44: 1710-7 (2009) Article DOI: 10.1016/j.ejmech.2008.09.021 BindingDB Entry DOI: 10.7270/Q22N5249
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50279562 (2-(4-(4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl)bu...) Show SMILES COc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCC(CC2)c2c[nH]c3ccc(OC)cc23)c1=O Show InChI InChI=1S/C33H36N4O4/c1-40-25-10-8-24(9-11-25)31-30-7-3-4-17-36(30)33(39)37(32(31)38)18-6-5-16-35-19-14-23(15-20-35)28-22-34-29-13-12-26(41-2)21-27(28)29/h3-4,7-13,17,21-23,34H,5-6,14-16,18-20H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	129	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from 5HTT in rat brain membranes				Eur J Med Chem 44: 1710-7 (2009) Article DOI: 10.1016/j.ejmech.2008.09.021 BindingDB Entry DOI: 10.7270/Q22N5249
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50279519 (2-{4-[4-(1H-Indol-3-yl)-piperidin-1-yl]-butyl}-4-(...) Show SMILES COc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCC(CC2)c2c[nH]c3ccccc23)c1=O Show InChI InChI=1S/C32H34N4O3/c1-39-25-13-11-24(12-14-25)30-29-10-4-5-18-35(29)32(38)36(31(30)37)19-7-6-17-34-20-15-23(16-21-34)27-22-33-28-9-3-2-8-26(27)28/h2-5,8-14,18,22-23,33H,6-7,15-17,19-21H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	145	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from 5HTT in rat brain membranes				Eur J Med Chem 44: 1710-7 (2009) Article DOI: 10.1016/j.ejmech.2008.09.021 BindingDB Entry DOI: 10.7270/Q22N5249
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50279563 (2-(4-(4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl)bu...) Show SMILES COc1ccc2[nH]cc(C3CCN(CCCCn4c(=O)c(-c5ccc(C)cc5)c5ccccn5c4=O)CC3)c2c1 Show InChI InChI=1S/C33H36N4O3/c1-23-8-10-25(11-9-23)31-30-7-3-4-17-36(30)33(39)37(32(31)38)18-6-5-16-35-19-14-24(15-20-35)28-22-34-29-13-12-26(40-2)21-27(28)29/h3-4,7-13,17,21-22,24,34H,5-6,14-16,18-20H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	223	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from 5HTT in rat brain membranes				Eur J Med Chem 44: 1710-7 (2009) Article DOI: 10.1016/j.ejmech.2008.09.021 BindingDB Entry DOI: 10.7270/Q22N5249
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50279564 (4-(4-chlorophenyl)-2-(4-(4-(5-methoxy-1H-indol-3-y...) Show SMILES COc1ccc2[nH]cc(C3CCN(CCCCn4c(=O)c(-c5ccc(Cl)cc5)c5ccccn5c4=O)CC3)c2c1 Show InChI InChI=1S/C32H33ClN4O3/c1-40-25-11-12-28-26(20-25)27(21-34-28)22-13-18-35(19-14-22)15-4-5-17-37-31(38)30(23-7-9-24(33)10-8-23)29-6-2-3-16-36(29)32(37)39/h2-3,6-12,16,20-22,34H,4-5,13-15,17-19H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from 5HTT in rat brain membranes				Eur J Med Chem 44: 1710-7 (2009) Article DOI: 10.1016/j.ejmech.2008.09.021 BindingDB Entry DOI: 10.7270/Q22N5249
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50279539 (4-(4-Chloro-phenyl)-2-{4-[4-(1H-indol-3-yl)-piperi...) Show SMILES Clc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCC(CC2)c2c[nH]c3ccccc23)c1=O Show InChI InChI=1S/C31H31ClN4O2/c32-24-12-10-23(11-13-24)29-28-9-3-4-17-35(28)31(38)36(30(29)37)18-6-5-16-34-19-14-22(15-20-34)26-21-33-27-8-2-1-7-25(26)27/h1-4,7-13,17,21-22,33H,5-6,14-16,18-20H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from 5HTT in rat brain membranes				Eur J Med Chem 44: 1710-7 (2009) Article DOI: 10.1016/j.ejmech.2008.09.021 BindingDB Entry DOI: 10.7270/Q22N5249
					More data for this Ligand-Target Pair