Compile Data Set for Download or QSAR

Found 92 hits Enz. Inhib. hit(s) with all data for entry = 50008222   

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
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50001888 ((chloropromazine) [3-(2-Chloro-phenothiazin-10-yl)...) Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12 Show InChI InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	1.80	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]-raclopride from human D2 receptor expressed in HEK cells incubated for 1 hr by Cheng-Prusoff analysis based microbeta scintillat...				Eur J Med Chem 180: 383-397 (2019) Article DOI: 10.1016/j.ejmech.2019.07.027 BindingDB Entry DOI: 10.7270/Q23B63H7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50222218 (CHEBI:51137 | Mianserin) Show SMILES CN1CCN2C(C1)c1ccccc1Cc1ccccc21 Show InChI InChI=1S/C18H20N2/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19/h2-9,18H,10-13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE 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
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from human 5HT2A receptor expressed in HEK293 cells incubated for 1.5 hrs by Cheng-Prusoff analysis based microbeta sc...				Eur J Med Chem 180: 383-397 (2019) Article DOI: 10.1016/j.ejmech.2019.07.027 BindingDB Entry DOI: 10.7270/Q23B63H7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM10755 (14C-5-hydroxy tryptamine creatinine disulfate | 2-...) Show SMILES NCCc1c[nH]c2ccc(O)cc12 Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	3.60	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 human 5-HT1A receptor expressed in CHO-K1 cell membranes incubated for 60 mins by microbeta scintillation counting...				Eur J Med Chem 180: 383-397 (2019) Article DOI: 10.1016/j.ejmech.2019.07.027 BindingDB Entry DOI: 10.7270/Q23B63H7
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]-raclopride from human D2 receptor expressed in HEK cells incubated for 1 hr by Cheng-Prusoff analysis based microbeta scintillat...				Eur J Med Chem 180: 383-397 (2019) Article DOI: 10.1016/j.ejmech.2019.07.027 BindingDB Entry DOI: 10.7270/Q23B63H7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM35254 (2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...) Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12 |t:8| Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	4.60	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]ketanserin from human 5HT2A receptor expressed in HEK293 cells incubated for 1.5 hrs by Cheng-Prusoff analysis based microbeta sc...				Eur J Med Chem 180: 383-397 (2019) Article DOI: 10.1016/j.ejmech.2019.07.027 BindingDB Entry DOI: 10.7270/Q23B63H7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM78940 (METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...) Show SMILES CSc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1 Show InChI InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB 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 human 5-HT1A receptor expressed in CHO-K1 cell membranes incubated for 60 mins by microbeta scintillation counting...				Eur J Med Chem 180: 383-397 (2019) Article DOI: 10.1016/j.ejmech.2019.07.027 BindingDB Entry DOI: 10.7270/Q23B63H7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM35254 (2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...) Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12 |t:8| Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	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]LSD from human 5-HT6 receptor expressed in HEK cells incubated for 1 hr by Cheng-Prusoff analysis based microbeta scintillation c...				Eur J Med Chem 180: 383-397 (2019) Article DOI: 10.1016/j.ejmech.2019.07.027 BindingDB Entry DOI: 10.7270/Q23B63H7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50516843 (CHEMBL4455658) Show SMILES Clc1ccccc1-c1c2CCCCn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccccc23)c1=O |(33.29,-6.1,;31.96,-5.32,;31.97,-3.79,;30.64,-3.01,;29.3,-3.78,;29.3,-5.32,;30.63,-6.09,;30.62,-7.62,;29.29,-8.39,;27.96,-7.61,;26.63,-8.39,;26.63,-9.93,;27.96,-10.69,;29.28,-9.93,;30.61,-10.7,;30.6,-12.24,;31.94,-9.94,;33.27,-10.72,;34.61,-9.96,;35.94,-10.74,;37.28,-9.97,;38.61,-10.75,;39.94,-9.99,;41.27,-10.78,;41.25,-12.32,;39.91,-13.08,;38.59,-12.3,;39.9,-14.62,;38.65,-15.51,;39.11,-16.98,;40.64,-16.99,;41.66,-18.14,;43.17,-17.84,;43.65,-16.37,;42.64,-15.23,;41.14,-15.53,;31.95,-8.4,;33.29,-7.64,)| Show InChI InChI=1S/C31H35ClN4O2/c32-26-13-3-1-12-24(26)29-28-15-5-6-18-35(28)31(38)36(30(29)37)19-8-7-16-34-17-9-10-22(21-34)25-20-33-27-14-4-2-11-23(25)27/h1-4,11-14,20,22,33H,5-10,15-19,21H2	PDB UniProtKB/SwissProt antibodypedia 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
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5-HT1A receptor expressed in CHO-K1 cell membranes incubated for 60 mins by microbeta scintillation counting...				Eur J Med Chem 180: 383-397 (2019) Article DOI: 10.1016/j.ejmech.2019.07.027 BindingDB Entry DOI: 10.7270/Q23B63H7
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50516863 (CHEMBL4469537) Show SMILES Fc1ccc(cc1)-c1c2CCCCn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccccc23)c1=O Show InChI InChI=1S/C31H35FN4O2/c32-24-14-12-22(13-15-24)29-28-11-3-4-18-35(28)31(38)36(30(29)37)19-6-5-16-34-17-7-8-23(21-34)26-20-33-27-10-2-1-9-25(26)27/h1-2,9-10,12-15,20,23,33H,3-8,11,16-19,21H2	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
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]-citalopram from SERT in rat cortex tissue incubated for 60 mins by microbeta scintillation counting method				Eur J Med Chem 180: 383-397 (2019) Article DOI: 10.1016/j.ejmech.2019.07.027 BindingDB Entry DOI: 10.7270/Q23B63H7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50516863 (CHEMBL4469537) Show SMILES Fc1ccc(cc1)-c1c2CCCCn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccccc23)c1=O Show InChI InChI=1S/C31H35FN4O2/c32-24-14-12-22(13-15-24)29-28-11-3-4-18-35(28)31(38)36(30(29)37)19-6-5-16-34-17-7-8-23(21-34)26-20-33-27-10-2-1-9-25(26)27/h1-2,9-10,12-15,20,23,33H,3-8,11,16-19,21H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	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 human 5-HT1A receptor expressed in CHO-K1 cell membranes incubated for 60 mins by microbeta scintillation counting...				Eur J Med Chem 180: 383-397 (2019) Article DOI: 10.1016/j.ejmech.2019.07.027 BindingDB Entry DOI: 10.7270/Q23B63H7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50516853 (CHEMBL4470437) Show SMILES Fc1ccccc1-c1c2CCCCn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccccc23)c1=O |(55.11,-5.24,;53.78,-4.47,;53.79,-2.93,;52.45,-2.15,;51.11,-2.93,;51.12,-4.46,;52.44,-5.23,;52.44,-6.77,;51.11,-7.54,;49.78,-6.76,;48.45,-7.54,;48.45,-9.08,;49.78,-9.84,;51.1,-9.08,;52.42,-9.85,;52.42,-11.39,;53.76,-9.09,;55.09,-9.87,;56.43,-9.1,;57.76,-9.88,;59.1,-9.12,;60.43,-9.9,;61.75,-9.14,;63.08,-9.92,;63.07,-11.47,;61.73,-12.22,;60.41,-11.44,;61.72,-13.76,;60.46,-14.65,;60.93,-16.12,;62.46,-16.13,;63.48,-17.29,;64.98,-16.98,;65.47,-15.52,;64.45,-14.37,;62.95,-14.68,;53.77,-7.55,;55.11,-6.79,)| Show InChI InChI=1S/C31H35FN4O2/c32-26-13-3-1-12-24(26)29-28-15-5-6-18-35(28)31(38)36(30(29)37)19-8-7-16-34-17-9-10-22(21-34)25-20-33-27-14-4-2-11-23(25)27/h1-4,11-14,20,22,33H,5-10,15-19,21H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	15	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 human 5-HT1A receptor expressed in CHO-K1 cell membranes incubated for 60 mins by microbeta scintillation counting...				Eur J Med Chem 180: 383-397 (2019) Article DOI: 10.1016/j.ejmech.2019.07.027 BindingDB Entry DOI: 10.7270/Q23B63H7
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50516846 (CHEMBL4582567) Show SMILES Fc1ccc(cc1)-c1c2CCCCn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccc(F)cc23)c1=O Show InChI InChI=1S/C31H34F2N4O2/c32-23-10-8-21(9-11-23)29-28-7-1-2-16-36(28)31(39)37(30(29)38)17-4-3-14-35-15-5-6-22(20-35)26-19-34-27-13-12-24(33)18-25(26)27/h8-13,18-19,22,34H,1-7,14-17,20H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]-citalopram from SERT in rat cortex tissue incubated for 60 mins by microbeta scintillation counting method				Eur J Med Chem 180: 383-397 (2019) Article DOI: 10.1016/j.ejmech.2019.07.027 BindingDB Entry DOI: 10.7270/Q23B63H7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50001884 (2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...) Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3	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	18	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]-5-CT from human 5HT7 receptor expressed in HEK cells incubated for 1 hr by Cheng-Prusoff analysis based microbeta scintillation ...				Eur J Med Chem 180: 383-397 (2019) Article DOI: 10.1016/j.ejmech.2019.07.027 BindingDB Entry DOI: 10.7270/Q23B63H7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50516866 (CHEMBL4475730) Show SMILES COc1ccc2[nH]cc(C3CCCN(CCCCn4c(=O)c(-c5ccc(Cl)cc5)c5CCCCn5c4=O)C3)c2c1 Show InChI InChI=1S/C32H37ClN4O3/c1-40-25-13-14-28-26(19-25)27(20-34-28)23-7-6-16-35(21-23)15-4-5-18-37-31(38)30(22-9-11-24(33)12-10-22)29-8-2-3-17-36(29)32(37)39/h9-14,19-20,23,34H,2-8,15-18,21H2,1H3	PDB UniProtKB/SwissProt antibodypedia 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
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5-HT1A receptor expressed in CHO-K1 cell membranes incubated for 60 mins by microbeta scintillation counting...				Eur J Med Chem 180: 383-397 (2019) Article DOI: 10.1016/j.ejmech.2019.07.027 BindingDB Entry DOI: 10.7270/Q23B63H7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50516854 (CHEMBL4462825) Show SMILES COc1ccccc1-c1c2CCCCn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccccc23)c1=O |(14.06,-25.37,;12.72,-26.14,;11.39,-25.36,;11.4,-23.82,;10.06,-23.05,;8.72,-23.82,;8.73,-25.36,;10.05,-26.12,;10.05,-27.66,;8.72,-28.43,;7.39,-27.65,;6.06,-28.43,;6.06,-29.97,;7.39,-30.73,;8.71,-29.97,;10.03,-30.74,;10.03,-32.28,;11.37,-29.98,;12.7,-30.76,;14.04,-29.99,;15.37,-30.77,;16.71,-30.01,;18.04,-30.79,;19.36,-30.03,;20.69,-30.81,;20.68,-32.36,;19.34,-33.11,;18.02,-32.34,;19.33,-34.65,;18.07,-35.55,;18.53,-37.01,;20.07,-37.03,;21.09,-38.18,;22.59,-37.88,;23.08,-36.41,;22.06,-35.26,;20.56,-35.57,;11.38,-28.44,;12.72,-27.68,)| Show InChI InChI=1S/C32H38N4O3/c1-39-29-16-5-3-13-25(29)30-28-15-6-7-19-35(28)32(38)36(31(30)37)20-9-8-17-34-18-10-11-23(22-34)26-21-33-27-14-4-2-12-24(26)27/h2-5,12-14,16,21,23,33H,6-11,15,17-20,22H2,1H3	PDB UniProtKB/SwissProt antibodypedia 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
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5-HT1A receptor expressed in CHO-K1 cell membranes incubated for 60 mins by microbeta scintillation counting...				Eur J Med Chem 180: 383-397 (2019) Article DOI: 10.1016/j.ejmech.2019.07.027 BindingDB Entry DOI: 10.7270/Q23B63H7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50516862 (CHEMBL4476164) Show SMILES O=c1c(-c2ccccc2)c2CCCCn2c(=O)n1CCCCN1CCCC(C1)c1c[nH]c2ccccc12 Show InChI InChI=1S/C31H36N4O2/c36-30-29(23-11-2-1-3-12-23)28-16-6-7-19-34(28)31(37)35(30)20-9-8-17-33-18-10-13-24(22-33)26-21-32-27-15-5-4-14-25(26)27/h1-5,11-12,14-15,21,24,32H,6-10,13,16-20,22H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	27	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 human 5-HT1A receptor expressed in CHO-K1 cell membranes incubated for 60 mins by microbeta scintillation counting...				Eur J Med Chem 180: 383-397 (2019) Article DOI: 10.1016/j.ejmech.2019.07.027 BindingDB Entry DOI: 10.7270/Q23B63H7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50516857 (CHEMBL4531647) Show SMILES Fc1ccc2[nH]cc(C3CCCN(CCCCn4c(=O)c(c5CCCCn5c4=O)-c4ccccc4F)C3)c2c1 |(86.87,-54.87,;85.36,-55.18,;84.87,-56.64,;83.36,-56.95,;82.35,-55.79,;80.81,-55.78,;80.35,-54.31,;81.61,-53.42,;81.62,-51.88,;82.96,-51.12,;82.97,-49.58,;81.64,-48.8,;80.31,-49.56,;78.98,-48.78,;77.65,-49.54,;76.32,-48.76,;74.98,-49.53,;73.65,-48.75,;73.66,-47.21,;74.99,-46.45,;72.33,-46.43,;71,-47.2,;69.67,-46.42,;68.34,-47.2,;68.34,-48.74,;69.67,-49.5,;70.99,-48.74,;72.31,-49.51,;72.3,-51.05,;72.33,-44.89,;71,-44.12,;71,-42.59,;72.34,-41.81,;73.67,-42.59,;73.67,-44.13,;75,-44.9,;80.29,-51.1,;82.84,-54.34,;84.34,-54.03,)| Show InChI InChI=1S/C31H34F2N4O2/c32-22-12-13-27-24(18-22)25(19-34-27)21-8-7-15-35(20-21)14-5-6-17-37-30(38)29(23-9-1-2-10-26(23)33)28-11-3-4-16-36(28)31(37)39/h1-2,9-10,12-13,18-19,21,34H,3-8,11,14-17,20H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	28	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 human 5-HT1A receptor expressed in CHO-K1 cell membranes incubated for 60 mins by microbeta scintillation counting...				Eur J Med Chem 180: 383-397 (2019) Article DOI: 10.1016/j.ejmech.2019.07.027 BindingDB Entry DOI: 10.7270/Q23B63H7
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50516856 (CHEMBL4467024) Show SMILES COc1ccc(cc1)-c1c2CCCCn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccccc23)c1=O Show InChI InChI=1S/C32H38N4O3/c1-39-25-15-13-23(14-16-25)30-29-12-4-5-19-35(29)32(38)36(31(30)37)20-7-6-17-34-18-8-9-24(22-34)27-21-33-28-11-3-2-10-26(27)28/h2-3,10-11,13-16,21,24,33H,4-9,12,17-20,22H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]-citalopram from SERT in rat cortex tissue incubated for 60 mins by microbeta scintillation counting method				Eur J Med Chem 180: 383-397 (2019) Article DOI: 10.1016/j.ejmech.2019.07.027 BindingDB Entry DOI: 10.7270/Q23B63H7
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50010859 (CHEMBL11 | IMIPRAMINE HYDROCHLORIDE | IMIPRAMINE P...) Show SMILES CN(C)CCCN1c2ccccc2CCc2ccccc12 Show InChI InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]-citalopram from SERT in rat cortex tissue incubated for 60 mins by microbeta scintillation counting method				Eur J Med Chem 180: 383-397 (2019) Article DOI: 10.1016/j.ejmech.2019.07.027 BindingDB Entry DOI: 10.7270/Q23B63H7
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50516850 (CHEMBL4469633) Show SMILES Clc1ccc(cc1)-c1c2CCCCn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccccc23)c1=O Show InChI InChI=1S/C31H35ClN4O2/c32-24-14-12-22(13-15-24)29-28-11-3-4-18-35(28)31(38)36(30(29)37)19-6-5-16-34-17-7-8-23(21-34)26-20-33-27-10-2-1-9-25(26)27/h1-2,9-10,12-15,20,23,33H,3-8,11,16-19,21H2	PDB UniProtKB/SwissProt antibodypedia 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
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5-HT1A receptor expressed in CHO-K1 cell membranes incubated for 60 mins by microbeta scintillation counting...				Eur J Med Chem 180: 383-397 (2019) Article DOI: 10.1016/j.ejmech.2019.07.027 BindingDB Entry DOI: 10.7270/Q23B63H7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50516846 (CHEMBL4582567) Show SMILES Fc1ccc(cc1)-c1c2CCCCn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccc(F)cc23)c1=O Show InChI InChI=1S/C31H34F2N4O2/c32-23-10-8-21(9-11-23)29-28-7-1-2-16-36(28)31(39)37(30(29)38)17-4-3-14-35-15-5-6-22(20-35)26-19-34-27-13-12-24(33)18-25(26)27/h8-13,18-19,22,34H,1-7,14-17,20H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	31	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 human 5-HT1A receptor expressed in CHO-K1 cell membranes incubated for 60 mins by microbeta scintillation counting...				Eur J Med Chem 180: 383-397 (2019) Article DOI: 10.1016/j.ejmech.2019.07.027 BindingDB Entry DOI: 10.7270/Q23B63H7
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50516850 (CHEMBL4469633) Show SMILES Clc1ccc(cc1)-c1c2CCCCn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccccc23)c1=O Show InChI InChI=1S/C31H35ClN4O2/c32-24-14-12-22(13-15-24)29-28-11-3-4-18-35(28)31(38)36(30(29)37)19-6-5-16-34-17-7-8-23(21-34)26-20-33-27-10-2-1-9-25(26)27/h1-2,9-10,12-15,20,23,33H,3-8,11,16-19,21H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]-citalopram from SERT in rat cortex tissue incubated for 60 mins by microbeta scintillation counting method				Eur J Med Chem 180: 383-397 (2019) Article DOI: 10.1016/j.ejmech.2019.07.027 BindingDB Entry DOI: 10.7270/Q23B63H7
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50516843 (CHEMBL4455658) Show SMILES Clc1ccccc1-c1c2CCCCn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccccc23)c1=O |(33.29,-6.1,;31.96,-5.32,;31.97,-3.79,;30.64,-3.01,;29.3,-3.78,;29.3,-5.32,;30.63,-6.09,;30.62,-7.62,;29.29,-8.39,;27.96,-7.61,;26.63,-8.39,;26.63,-9.93,;27.96,-10.69,;29.28,-9.93,;30.61,-10.7,;30.6,-12.24,;31.94,-9.94,;33.27,-10.72,;34.61,-9.96,;35.94,-10.74,;37.28,-9.97,;38.61,-10.75,;39.94,-9.99,;41.27,-10.78,;41.25,-12.32,;39.91,-13.08,;38.59,-12.3,;39.9,-14.62,;38.65,-15.51,;39.11,-16.98,;40.64,-16.99,;41.66,-18.14,;43.17,-17.84,;43.65,-16.37,;42.64,-15.23,;41.14,-15.53,;31.95,-8.4,;33.29,-7.64,)| Show InChI InChI=1S/C31H35ClN4O2/c32-26-13-3-1-12-24(26)29-28-15-5-6-18-35(28)31(38)36(30(29)37)19-8-7-16-34-17-9-10-22(21-34)25-20-33-27-14-4-2-11-23(25)27/h1-4,11-14,20,22,33H,5-10,15-19,21H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]-citalopram from SERT in rat cortex tissue incubated for 60 mins by microbeta scintillation counting method				Eur J Med Chem 180: 383-397 (2019) Article DOI: 10.1016/j.ejmech.2019.07.027 BindingDB Entry DOI: 10.7270/Q23B63H7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50516858 (CHEMBL4466243) Show SMILES COc1ccccc1-c1c2CCCCn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccc(F)cc23)c1=O |(34.44,-5.01,;33.1,-5.77,;31.77,-5,;31.78,-3.46,;30.44,-2.68,;29.1,-3.46,;29.1,-4.99,;30.43,-5.76,;30.43,-7.3,;29.1,-8.07,;27.77,-7.29,;26.44,-8.07,;26.44,-9.61,;27.77,-10.37,;29.09,-9.61,;30.41,-10.38,;30.4,-11.92,;31.75,-9.62,;33.08,-10.4,;34.42,-9.63,;35.75,-10.41,;37.09,-9.65,;38.42,-10.43,;39.74,-9.67,;41.07,-10.45,;41.06,-11.99,;39.72,-12.75,;38.4,-11.97,;39.71,-14.29,;38.45,-15.18,;38.91,-16.65,;40.45,-16.66,;41.47,-17.82,;42.97,-17.51,;43.46,-16.05,;44.97,-15.74,;42.44,-14.9,;40.94,-15.21,;31.76,-8.08,;33.1,-7.31,)| Show InChI InChI=1S/C32H37FN4O3/c1-40-29-12-3-2-10-24(29)30-28-11-4-5-17-36(28)32(39)37(31(30)38)18-7-6-15-35-16-8-9-22(21-35)26-20-34-27-14-13-23(33)19-25(26)27/h2-3,10,12-14,19-20,22,34H,4-9,11,15-18,21H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	40	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 human 5-HT1A receptor expressed in CHO-K1 cell membranes incubated for 60 mins by microbeta scintillation counting...				Eur J Med Chem 180: 383-397 (2019) Article DOI: 10.1016/j.ejmech.2019.07.027 BindingDB Entry DOI: 10.7270/Q23B63H7
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50001955 ((-)6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]qu...) Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r| Show InChI InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	42	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]-raclopride from human D2 receptor expressed in HEK cells incubated for 1 hr by Cheng-Prusoff analysis based microbeta scintillat...				Eur J Med Chem 180: 383-397 (2019) Article DOI: 10.1016/j.ejmech.2019.07.027 BindingDB Entry DOI: 10.7270/Q23B63H7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50516845 (CHEMBL4533362) Show SMILES COc1ccc(cc1)-c1c2CCCCn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccc(F)cc23)c1=O Show InChI InChI=1S/C32H37FN4O3/c1-40-25-12-9-22(10-13-25)30-29-8-2-3-17-36(29)32(39)37(31(30)38)18-5-4-15-35-16-6-7-23(21-35)27-20-34-28-14-11-24(33)19-26(27)28/h9-14,19-20,23,34H,2-8,15-18,21H2,1H3	PDB UniProtKB/SwissProt antibodypedia 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
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5-HT1A receptor expressed in CHO-K1 cell membranes incubated for 60 mins by microbeta scintillation counting...				Eur J Med Chem 180: 383-397 (2019) Article DOI: 10.1016/j.ejmech.2019.07.027 BindingDB Entry DOI: 10.7270/Q23B63H7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50516864 (CHEMBL4442394) Show SMILES Fc1ccc2[nH]cc(C3CCCN(CCCCn4c(=O)c(c5CCCCn5c4=O)-c4ccccc4Cl)C3)c2c1 |(66.44,-55.06,;64.93,-55.37,;64.45,-56.83,;62.94,-57.13,;61.92,-55.98,;60.39,-55.97,;59.93,-54.5,;61.18,-53.61,;61.19,-52.07,;62.53,-51.31,;62.55,-49.77,;61.22,-48.98,;59.89,-49.74,;58.56,-48.96,;57.22,-49.73,;55.89,-48.95,;54.55,-49.71,;53.23,-48.93,;53.23,-47.39,;54.57,-46.63,;51.9,-46.61,;50.57,-47.38,;49.24,-46.61,;47.91,-47.38,;47.91,-48.92,;49.24,-49.69,;50.56,-48.92,;51.89,-49.69,;51.88,-51.23,;51.91,-45.08,;50.58,-44.31,;50.58,-42.78,;51.92,-42,;53.25,-42.78,;53.24,-44.31,;54.58,-45.09,;59.87,-51.29,;62.42,-54.52,;63.92,-54.22,)| Show InChI InChI=1S/C31H34ClFN4O2/c32-26-10-2-1-9-23(26)29-28-11-3-4-16-36(28)31(39)37(30(29)38)17-6-5-14-35-15-7-8-21(20-35)25-19-34-27-13-12-22(33)18-24(25)27/h1-2,9-10,12-13,18-19,21,34H,3-8,11,14-17,20H2	PDB UniProtKB/SwissProt antibodypedia 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
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5-HT1A receptor expressed in CHO-K1 cell membranes incubated for 60 mins by microbeta scintillation counting...				Eur J Med Chem 180: 383-397 (2019) Article DOI: 10.1016/j.ejmech.2019.07.027 BindingDB Entry DOI: 10.7270/Q23B63H7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50516855 (CHEMBL4530671) Show SMILES Cc1ccc(cc1)-c1c2CCCCn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccccc23)c1=O Show InChI InChI=1S/C32H38N4O2/c1-23-13-15-24(16-14-23)30-29-12-4-5-19-35(29)32(38)36(31(30)37)20-7-6-17-34-18-8-9-25(22-34)27-21-33-28-11-3-2-10-26(27)28/h2-3,10-11,13-16,21,25,33H,4-9,12,17-20,22H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	50	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 human 5-HT1A receptor expressed in CHO-K1 cell membranes incubated for 60 mins by microbeta scintillation counting...				Eur J Med Chem 180: 383-397 (2019) Article DOI: 10.1016/j.ejmech.2019.07.027 BindingDB Entry DOI: 10.7270/Q23B63H7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50516868 (CHEMBL4458537) Show SMILES COc1ccc2[nH]cc(C3CCCN(CCCCn4c(=O)c(c5CCCCn5c4=O)-c4ccccc4Cl)C3)c2c1 |(87.71,-36.28,;86.68,-35.13,;85.17,-35.44,;84.69,-36.9,;83.18,-37.21,;82.16,-36.05,;80.63,-36.04,;80.17,-34.57,;81.42,-33.68,;81.43,-32.14,;82.77,-31.38,;82.79,-29.84,;81.46,-29.06,;80.13,-29.82,;78.8,-29.04,;77.46,-29.8,;76.13,-29.02,;74.79,-29.79,;73.46,-29.01,;73.47,-27.47,;74.81,-26.7,;72.14,-26.69,;70.81,-27.46,;69.48,-26.68,;68.15,-27.46,;68.15,-29,;69.48,-29.76,;70.8,-29,;72.13,-29.77,;72.12,-31.31,;72.15,-25.15,;70.82,-24.38,;70.82,-22.85,;72.16,-22.07,;73.49,-22.85,;73.48,-24.39,;74.81,-25.16,;80.11,-31.36,;82.66,-34.6,;84.16,-34.29,)| Show InChI InChI=1S/C32H37ClN4O3/c1-40-23-13-14-28-25(19-23)26(20-34-28)22-9-8-16-35(21-22)15-6-7-18-37-31(38)30(24-10-2-3-11-27(24)33)29-12-4-5-17-36(29)32(37)39/h2-3,10-11,13-14,19-20,22,34H,4-9,12,15-18,21H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	50	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 human 5-HT1A receptor expressed in CHO-K1 cell membranes incubated for 60 mins by microbeta scintillation counting...				Eur J Med Chem 180: 383-397 (2019) Article DOI: 10.1016/j.ejmech.2019.07.027 BindingDB Entry DOI: 10.7270/Q23B63H7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50516842 (CHEMBL4471755) Show SMILES COc1ccc(cc1)-c1c2CCCCn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccc(OC)cc23)c1=O Show InChI InChI=1S/C33H40N4O4/c1-40-25-12-10-23(11-13-25)31-30-9-3-4-18-36(30)33(39)37(32(31)38)19-6-5-16-35-17-7-8-24(22-35)28-21-34-29-15-14-26(41-2)20-27(28)29/h10-15,20-21,24,34H,3-9,16-19,22H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia 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
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5-HT1A receptor expressed in CHO-K1 cell membranes incubated for 60 mins by microbeta scintillation counting...				Eur J Med Chem 180: 383-397 (2019) Article DOI: 10.1016/j.ejmech.2019.07.027 BindingDB Entry DOI: 10.7270/Q23B63H7
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50516867 (CHEMBL4471395) Show SMILES Fc1ccc2[nH]cc(C3CCCN(CCCCn4c(=O)c(-c5ccc(Cl)cc5)c5CCCCn5c4=O)C3)c2c1 Show InChI InChI=1S/C31H34ClFN4O2/c32-23-10-8-21(9-11-23)29-28-7-1-2-16-36(28)31(39)37(30(29)38)17-4-3-14-35-15-5-6-22(20-35)26-19-34-27-13-12-24(33)18-25(26)27/h8-13,18-19,22,34H,1-7,14-17,20H2	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
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]-citalopram from SERT in rat cortex tissue incubated for 60 mins by microbeta scintillation counting method				Eur J Med Chem 180: 383-397 (2019) Article DOI: 10.1016/j.ejmech.2019.07.027 BindingDB Entry DOI: 10.7270/Q23B63H7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50516856 (CHEMBL4467024) Show SMILES COc1ccc(cc1)-c1c2CCCCn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccccc23)c1=O Show InChI InChI=1S/C32H38N4O3/c1-39-25-15-13-23(14-16-25)30-29-12-4-5-19-35(29)32(38)36(31(30)37)20-7-6-17-34-18-8-9-24(22-34)27-21-33-28-11-3-2-10-26(27)28/h2-3,10-11,13-16,21,24,33H,4-9,12,17-20,22H2,1H3	PDB UniProtKB/SwissProt antibodypedia 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
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5-HT1A receptor expressed in CHO-K1 cell membranes incubated for 60 mins by microbeta scintillation counting...				Eur J Med Chem 180: 383-397 (2019) Article DOI: 10.1016/j.ejmech.2019.07.027 BindingDB Entry DOI: 10.7270/Q23B63H7
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50516842 (CHEMBL4471755) Show SMILES COc1ccc(cc1)-c1c2CCCCn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccc(OC)cc23)c1=O Show InChI InChI=1S/C33H40N4O4/c1-40-25-12-10-23(11-13-25)31-30-9-3-4-18-36(30)33(39)37(32(31)38)19-6-5-16-35-17-7-8-24(22-35)28-21-34-29-15-14-26(41-2)20-27(28)29/h10-15,20-21,24,34H,3-9,16-19,22H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	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]-citalopram from SERT in rat cortex tissue incubated for 60 mins by microbeta scintillation counting method				Eur J Med Chem 180: 383-397 (2019) Article DOI: 10.1016/j.ejmech.2019.07.027 BindingDB Entry DOI: 10.7270/Q23B63H7
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50516865 (CHEMBL4449982) Show SMILES Cc1ccc(cc1)-c1c2CCCCn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccc(F)cc23)c1=O Show InChI InChI=1S/C32H37FN4O2/c1-22-9-11-23(12-10-22)30-29-8-2-3-17-36(29)32(39)37(31(30)38)18-5-4-15-35-16-6-7-24(21-35)27-20-34-28-14-13-25(33)19-26(27)28/h9-14,19-20,24,34H,2-8,15-18,21H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]-citalopram from SERT in rat cortex tissue incubated for 60 mins by microbeta scintillation counting method				Eur J Med Chem 180: 383-397 (2019) Article DOI: 10.1016/j.ejmech.2019.07.027 BindingDB Entry DOI: 10.7270/Q23B63H7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50516848 (CHEMBL4545518) Show SMILES Cc1ccccc1-c1c2CCCCn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccccc23)c1=O |(77.72,-5.34,;76.39,-4.57,;76.4,-3.03,;75.06,-2.26,;73.72,-3.03,;73.73,-4.57,;75.05,-5.33,;75.05,-6.87,;73.72,-7.64,;72.39,-6.86,;71.06,-7.64,;71.06,-9.18,;72.39,-9.94,;73.71,-9.18,;75.03,-9.95,;75.03,-11.49,;76.37,-9.19,;77.7,-9.97,;79.04,-9.2,;80.37,-9.98,;81.71,-9.22,;83.04,-10,;84.36,-9.24,;85.69,-10.02,;85.68,-11.57,;84.34,-12.32,;83.02,-11.54,;84.33,-13.86,;83.07,-14.75,;83.54,-16.22,;85.07,-16.24,;86.09,-17.39,;87.59,-17.08,;88.08,-15.62,;87.06,-14.47,;85.56,-14.78,;76.38,-7.65,;77.72,-6.89,)| Show InChI InChI=1S/C32H38N4O2/c1-23-11-2-3-13-25(23)30-29-16-6-7-19-35(29)32(38)36(31(30)37)20-9-8-17-34-18-10-12-24(22-34)27-21-33-28-15-5-4-14-26(27)28/h2-5,11,13-15,21,24,33H,6-10,12,16-20,22H2,1H3	PDB UniProtKB/SwissProt antibodypedia 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
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5-HT1A receptor expressed in CHO-K1 cell membranes incubated for 60 mins by microbeta scintillation counting...				Eur J Med Chem 180: 383-397 (2019) Article DOI: 10.1016/j.ejmech.2019.07.027 BindingDB Entry DOI: 10.7270/Q23B63H7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50516847 (CHEMBL4458712) Show SMILES COc1ccc2[nH]cc(C3CCCN(CCCCn4c(=O)c(c5CCCCn5c4=O)-c4ccccc4C)C3)c2c1 |(45.69,-56.48,;44.67,-55.33,;43.16,-55.64,;42.68,-57.1,;41.17,-57.41,;40.15,-56.25,;38.62,-56.24,;38.16,-54.77,;39.41,-53.88,;39.42,-52.34,;40.76,-51.58,;40.78,-50.04,;39.45,-49.26,;38.12,-50.01,;36.79,-49.24,;35.45,-50,;34.12,-49.22,;32.78,-49.98,;31.45,-49.21,;31.46,-47.67,;32.8,-46.9,;30.13,-46.89,;28.8,-47.66,;27.47,-46.88,;26.14,-47.66,;26.14,-49.2,;27.47,-49.96,;28.79,-49.2,;30.12,-49.97,;30.11,-51.51,;30.14,-45.35,;28.81,-44.58,;28.81,-43.05,;30.15,-42.27,;31.48,-43.05,;31.47,-44.59,;32.8,-45.36,;38.1,-51.56,;40.65,-54.8,;42.15,-54.49,)| Show InChI InChI=1S/C33H40N4O3/c1-23-10-3-4-12-26(23)31-30-13-5-6-18-36(30)33(39)37(32(31)38)19-8-7-16-35-17-9-11-24(22-35)28-21-34-29-15-14-25(40-2)20-27(28)29/h3-4,10,12,14-15,20-21,24,34H,5-9,11,13,16-19,22H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	66	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 human 5-HT1A receptor expressed in CHO-K1 cell membranes incubated for 60 mins by microbeta scintillation counting...				Eur J Med Chem 180: 383-397 (2019) Article DOI: 10.1016/j.ejmech.2019.07.027 BindingDB Entry DOI: 10.7270/Q23B63H7
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50516862 (CHEMBL4476164) Show SMILES O=c1c(-c2ccccc2)c2CCCCn2c(=O)n1CCCCN1CCCC(C1)c1c[nH]c2ccccc12 Show InChI InChI=1S/C31H36N4O2/c36-30-29(23-11-2-1-3-12-23)28-16-6-7-19-34(28)31(37)35(30)20-9-8-17-33-18-10-13-24(22-33)26-21-32-27-15-5-4-14-25(26)27/h1-5,11-12,14-15,21,24,32H,6-10,13,16-20,22H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	71	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]-citalopram from SERT in rat cortex tissue incubated for 60 mins by microbeta scintillation counting method				Eur J Med Chem 180: 383-397 (2019) Article DOI: 10.1016/j.ejmech.2019.07.027 BindingDB Entry DOI: 10.7270/Q23B63H7
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50516844 (CHEMBL4543669) Show SMILES Fc1ccc2[nH]cc(C3CCCN(CCCCn4c(=O)c(-c5ccccc5)c5CCCCn5c4=O)C3)c2c1 Show InChI InChI=1S/C31H35FN4O2/c32-24-13-14-27-25(19-24)26(20-33-27)23-11-8-16-34(21-23)15-6-7-18-36-30(37)29(22-9-2-1-3-10-22)28-12-4-5-17-35(28)31(36)38/h1-3,9-10,13-14,19-20,23,33H,4-8,11-12,15-18,21H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	72	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]-citalopram from SERT in rat cortex tissue incubated for 60 mins by microbeta scintillation counting method				Eur J Med Chem 180: 383-397 (2019) Article DOI: 10.1016/j.ejmech.2019.07.027 BindingDB Entry DOI: 10.7270/Q23B63H7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50516851 (CHEMBL4444099) Show SMILES COc1ccc2[nH]cc(C3CCCN(CCCCn4c(=O)c(-c5ccc(F)cc5)c5CCCCn5c4=O)C3)c2c1 Show InChI InChI=1S/C32H37FN4O3/c1-40-25-13-14-28-26(19-25)27(20-34-28)23-7-6-16-35(21-23)15-4-5-18-37-31(38)30(22-9-11-24(33)12-10-22)29-8-2-3-17-36(29)32(37)39/h9-14,19-20,23,34H,2-8,15-18,21H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	76	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 human 5-HT1A receptor expressed in CHO-K1 cell membranes incubated for 60 mins by microbeta scintillation counting...				Eur J Med Chem 180: 383-397 (2019) Article DOI: 10.1016/j.ejmech.2019.07.027 BindingDB Entry DOI: 10.7270/Q23B63H7
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50516851 (CHEMBL4444099) Show SMILES COc1ccc2[nH]cc(C3CCCN(CCCCn4c(=O)c(-c5ccc(F)cc5)c5CCCCn5c4=O)C3)c2c1 Show InChI InChI=1S/C32H37FN4O3/c1-40-25-13-14-28-26(19-25)27(20-34-28)23-7-6-16-35(21-23)15-4-5-18-37-31(38)30(22-9-11-24(33)12-10-22)29-8-2-3-17-36(29)32(37)39/h9-14,19-20,23,34H,2-8,15-18,21H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	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]-citalopram from SERT in rat cortex tissue incubated for 60 mins by microbeta scintillation counting method				Eur J Med Chem 180: 383-397 (2019) Article DOI: 10.1016/j.ejmech.2019.07.027 BindingDB Entry DOI: 10.7270/Q23B63H7
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50516853 (CHEMBL4470437) Show SMILES Fc1ccccc1-c1c2CCCCn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccccc23)c1=O |(55.11,-5.24,;53.78,-4.47,;53.79,-2.93,;52.45,-2.15,;51.11,-2.93,;51.12,-4.46,;52.44,-5.23,;52.44,-6.77,;51.11,-7.54,;49.78,-6.76,;48.45,-7.54,;48.45,-9.08,;49.78,-9.84,;51.1,-9.08,;52.42,-9.85,;52.42,-11.39,;53.76,-9.09,;55.09,-9.87,;56.43,-9.1,;57.76,-9.88,;59.1,-9.12,;60.43,-9.9,;61.75,-9.14,;63.08,-9.92,;63.07,-11.47,;61.73,-12.22,;60.41,-11.44,;61.72,-13.76,;60.46,-14.65,;60.93,-16.12,;62.46,-16.13,;63.48,-17.29,;64.98,-16.98,;65.47,-15.52,;64.45,-14.37,;62.95,-14.68,;53.77,-7.55,;55.11,-6.79,)| Show InChI InChI=1S/C31H35FN4O2/c32-26-13-3-1-12-24(26)29-28-15-5-6-18-35(28)31(38)36(30(29)37)19-8-7-16-34-17-9-10-22(21-34)25-20-33-27-14-4-2-11-23(25)27/h1-4,11-14,20,22,33H,5-10,15-19,21H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	87	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]-citalopram from SERT in rat cortex tissue incubated for 60 mins by microbeta scintillation counting method				Eur J Med Chem 180: 383-397 (2019) Article DOI: 10.1016/j.ejmech.2019.07.027 BindingDB Entry DOI: 10.7270/Q23B63H7
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50516847 (CHEMBL4458712) Show SMILES COc1ccc2[nH]cc(C3CCCN(CCCCn4c(=O)c(c5CCCCn5c4=O)-c4ccccc4C)C3)c2c1 |(45.69,-56.48,;44.67,-55.33,;43.16,-55.64,;42.68,-57.1,;41.17,-57.41,;40.15,-56.25,;38.62,-56.24,;38.16,-54.77,;39.41,-53.88,;39.42,-52.34,;40.76,-51.58,;40.78,-50.04,;39.45,-49.26,;38.12,-50.01,;36.79,-49.24,;35.45,-50,;34.12,-49.22,;32.78,-49.98,;31.45,-49.21,;31.46,-47.67,;32.8,-46.9,;30.13,-46.89,;28.8,-47.66,;27.47,-46.88,;26.14,-47.66,;26.14,-49.2,;27.47,-49.96,;28.79,-49.2,;30.12,-49.97,;30.11,-51.51,;30.14,-45.35,;28.81,-44.58,;28.81,-43.05,;30.15,-42.27,;31.48,-43.05,;31.47,-44.59,;32.8,-45.36,;38.1,-51.56,;40.65,-54.8,;42.15,-54.49,)| Show InChI InChI=1S/C33H40N4O3/c1-23-10-3-4-12-26(23)31-30-13-5-6-18-36(30)33(39)37(32(31)38)19-8-7-16-35-17-9-11-24(22-35)28-21-34-29-15-14-25(40-2)20-27(28)29/h3-4,10,12,14-15,20-21,24,34H,5-9,11,13,16-19,22H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	98	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]-citalopram from SERT in rat cortex tissue incubated for 60 mins by microbeta scintillation counting method				Eur J Med Chem 180: 383-397 (2019) Article DOI: 10.1016/j.ejmech.2019.07.027 BindingDB Entry DOI: 10.7270/Q23B63H7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50516859 (CHEMBL4515025) Show SMILES COc1ccc2[nH]cc(C3CCCN(CCCCn4c(=O)c(-c5ccccc5)c5CCCCn5c4=O)C3)c2c1 Show InChI InChI=1S/C32H38N4O3/c1-39-25-14-15-28-26(20-25)27(21-33-28)24-12-9-17-34(22-24)16-7-8-19-36-31(37)30(23-10-3-2-4-11-23)29-13-5-6-18-35(29)32(36)38/h2-4,10-11,14-15,20-21,24,33H,5-9,12-13,16-19,22H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	102	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5-HT1A receptor expressed in CHO-K1 cell membranes incubated for 60 mins by microbeta scintillation counting...				Eur J Med Chem 180: 383-397 (2019) Article DOI: 10.1016/j.ejmech.2019.07.027 BindingDB Entry DOI: 10.7270/Q23B63H7
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50516866 (CHEMBL4475730) Show SMILES COc1ccc2[nH]cc(C3CCCN(CCCCn4c(=O)c(-c5ccc(Cl)cc5)c5CCCCn5c4=O)C3)c2c1 Show InChI InChI=1S/C32H37ClN4O3/c1-40-25-13-14-28-26(19-25)27(20-34-28)23-7-6-16-35(21-23)15-4-5-18-37-31(38)30(22-9-11-24(33)12-10-22)29-8-2-3-17-36(29)32(37)39/h9-14,19-20,23,34H,2-8,15-18,21H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	104	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]-citalopram from SERT in rat cortex tissue incubated for 60 mins by microbeta scintillation counting method				Eur J Med Chem 180: 383-397 (2019) Article DOI: 10.1016/j.ejmech.2019.07.027 BindingDB Entry DOI: 10.7270/Q23B63H7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50516844 (CHEMBL4543669) Show SMILES Fc1ccc2[nH]cc(C3CCCN(CCCCn4c(=O)c(-c5ccccc5)c5CCCCn5c4=O)C3)c2c1 Show InChI InChI=1S/C31H35FN4O2/c32-24-13-14-27-25(19-24)26(20-33-27)23-11-8-16-34(21-23)15-6-7-18-36-30(37)29(22-9-2-1-3-10-22)28-12-4-5-17-35(28)31(36)38/h1-3,9-10,13-14,19-20,23,33H,4-8,11-12,15-18,21H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	105	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 human 5-HT1A receptor expressed in CHO-K1 cell membranes incubated for 60 mins by microbeta scintillation counting...				Eur J Med Chem 180: 383-397 (2019) Article DOI: 10.1016/j.ejmech.2019.07.027 BindingDB Entry DOI: 10.7270/Q23B63H7
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50516859 (CHEMBL4515025) Show SMILES COc1ccc2[nH]cc(C3CCCN(CCCCn4c(=O)c(-c5ccccc5)c5CCCCn5c4=O)C3)c2c1 Show InChI InChI=1S/C32H38N4O3/c1-39-25-14-15-28-26(20-25)27(21-33-28)24-12-9-17-34(22-24)16-7-8-19-36-31(37)30(23-10-3-2-4-11-23)29-13-5-6-18-35(29)32(36)38/h2-4,10-11,14-15,20-21,24,33H,5-9,12-13,16-19,22H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	111	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]-citalopram from SERT in rat cortex tissue incubated for 60 mins by microbeta scintillation counting method				Eur J Med Chem 180: 383-397 (2019) Article DOI: 10.1016/j.ejmech.2019.07.027 BindingDB Entry DOI: 10.7270/Q23B63H7
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50516855 (CHEMBL4530671) Show SMILES Cc1ccc(cc1)-c1c2CCCCn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccccc23)c1=O Show InChI InChI=1S/C32H38N4O2/c1-23-13-15-24(16-14-23)30-29-12-4-5-19-35(29)32(38)36(31(30)37)20-7-6-17-34-18-8-9-25(22-34)27-21-33-28-11-3-2-10-26(27)28/h2-3,10-11,13-16,21,25,33H,4-9,12,17-20,22H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	117	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]-citalopram from SERT in rat cortex tissue incubated for 60 mins by microbeta scintillation counting method				Eur J Med Chem 180: 383-397 (2019) Article DOI: 10.1016/j.ejmech.2019.07.027 BindingDB Entry DOI: 10.7270/Q23B63H7
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50516864 (CHEMBL4442394) Show SMILES Fc1ccc2[nH]cc(C3CCCN(CCCCn4c(=O)c(c5CCCCn5c4=O)-c4ccccc4Cl)C3)c2c1 |(66.44,-55.06,;64.93,-55.37,;64.45,-56.83,;62.94,-57.13,;61.92,-55.98,;60.39,-55.97,;59.93,-54.5,;61.18,-53.61,;61.19,-52.07,;62.53,-51.31,;62.55,-49.77,;61.22,-48.98,;59.89,-49.74,;58.56,-48.96,;57.22,-49.73,;55.89,-48.95,;54.55,-49.71,;53.23,-48.93,;53.23,-47.39,;54.57,-46.63,;51.9,-46.61,;50.57,-47.38,;49.24,-46.61,;47.91,-47.38,;47.91,-48.92,;49.24,-49.69,;50.56,-48.92,;51.89,-49.69,;51.88,-51.23,;51.91,-45.08,;50.58,-44.31,;50.58,-42.78,;51.92,-42,;53.25,-42.78,;53.24,-44.31,;54.58,-45.09,;59.87,-51.29,;62.42,-54.52,;63.92,-54.22,)| Show InChI InChI=1S/C31H34ClFN4O2/c32-26-10-2-1-9-23(26)29-28-11-3-4-16-36(28)31(39)37(30(29)38)17-6-5-14-35-15-7-8-21(20-35)25-19-34-27-13-12-22(33)18-24(25)27/h1-2,9-10,12-13,18-19,21,34H,3-8,11,14-17,20H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	132	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]-citalopram from SERT in rat cortex tissue incubated for 60 mins by microbeta scintillation counting method				Eur J Med Chem 180: 383-397 (2019) Article DOI: 10.1016/j.ejmech.2019.07.027 BindingDB Entry DOI: 10.7270/Q23B63H7
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50516849 (CHEMBL4472972) Show SMILES Cc1ccccc1-c1c2CCCCn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccc(F)cc23)c1=O |(10.75,-5.73,;9.42,-4.96,;9.42,-3.42,;8.09,-2.64,;6.75,-3.42,;6.75,-4.95,;8.08,-5.72,;8.07,-7.26,;6.74,-8.03,;5.41,-7.25,;4.08,-8.03,;4.08,-9.57,;5.41,-10.33,;6.74,-9.57,;8.06,-10.34,;8.05,-11.88,;9.4,-9.58,;10.73,-10.36,;12.06,-9.59,;13.39,-10.37,;14.73,-9.61,;16.06,-10.39,;17.39,-9.63,;18.72,-10.41,;18.7,-11.96,;17.36,-12.71,;16.04,-11.93,;17.35,-14.25,;16.1,-15.14,;16.56,-16.61,;18.1,-16.62,;19.11,-17.78,;20.62,-17.47,;21.11,-16.01,;22.61,-15.7,;20.09,-14.86,;18.59,-15.17,;9.4,-8.04,;10.74,-7.28,)| Show InChI InChI=1S/C32H37FN4O2/c1-22-9-2-3-11-25(22)30-29-12-4-5-17-36(29)32(39)37(31(30)38)18-7-6-15-35-16-8-10-23(21-35)27-20-34-28-14-13-24(33)19-26(27)28/h2-3,9,11,13-14,19-20,23,34H,4-8,10,12,15-18,21H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	133	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]-citalopram from SERT in rat cortex tissue incubated for 60 mins by microbeta scintillation counting method				Eur J Med Chem 180: 383-397 (2019) Article DOI: 10.1016/j.ejmech.2019.07.027 BindingDB Entry DOI: 10.7270/Q23B63H7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50516849 (CHEMBL4472972) Show SMILES Cc1ccccc1-c1c2CCCCn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccc(F)cc23)c1=O |(10.75,-5.73,;9.42,-4.96,;9.42,-3.42,;8.09,-2.64,;6.75,-3.42,;6.75,-4.95,;8.08,-5.72,;8.07,-7.26,;6.74,-8.03,;5.41,-7.25,;4.08,-8.03,;4.08,-9.57,;5.41,-10.33,;6.74,-9.57,;8.06,-10.34,;8.05,-11.88,;9.4,-9.58,;10.73,-10.36,;12.06,-9.59,;13.39,-10.37,;14.73,-9.61,;16.06,-10.39,;17.39,-9.63,;18.72,-10.41,;18.7,-11.96,;17.36,-12.71,;16.04,-11.93,;17.35,-14.25,;16.1,-15.14,;16.56,-16.61,;18.1,-16.62,;19.11,-17.78,;20.62,-17.47,;21.11,-16.01,;22.61,-15.7,;20.09,-14.86,;18.59,-15.17,;9.4,-8.04,;10.74,-7.28,)| Show InChI InChI=1S/C32H37FN4O2/c1-22-9-2-3-11-25(22)30-29-12-4-5-17-36(29)32(39)37(31(30)38)18-7-6-15-35-16-8-10-23(21-35)27-20-34-28-14-13-24(33)19-26(27)28/h2-3,9,11,13-14,19-20,23,34H,4-8,10,12,15-18,21H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	142	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 human 5-HT1A receptor expressed in CHO-K1 cell membranes incubated for 60 mins by microbeta scintillation counting...				Eur J Med Chem 180: 383-397 (2019) Article DOI: 10.1016/j.ejmech.2019.07.027 BindingDB Entry DOI: 10.7270/Q23B63H7
					More data for this Ligand-Target Pair

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