Compile Data Set for Download or QSAR

Found 79 hits Enz. Inhib. hit(s) with all data for entry = 50009193   

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 recombinant human D2 receptor expressed in HEK293 cells measured after 1 hr by microbeta scintillation counting ...				Eur J Med Chem 166: 144-158 (2019) Article DOI: 10.1016/j.ejmech.2019.01.031 BindingDB Entry DOI: 10.7270/Q2M61PPW
					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 recombinant human 5HT2A receptor expressed in HEK293 cells measured after 1.5 hrs by microbeta scintillation cou...				Eur J Med Chem 166: 144-158 (2019) Article DOI: 10.1016/j.ejmech.2019.01.031 BindingDB Entry DOI: 10.7270/Q2M61PPW
					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	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 recombinant human 5HT1A receptor expressed in CHO cell membranes measured after 60 mins by microbeta scintillatio...				Eur J Med Chem 166: 144-158 (2019) Article DOI: 10.1016/j.ejmech.2019.01.031 BindingDB Entry DOI: 10.7270/Q2M61PPW
					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 recombinant human D2 receptor expressed in HEK293 cells measured after 1 hr by microbeta scintillation counting ...				Eur J Med Chem 166: 144-158 (2019) Article DOI: 10.1016/j.ejmech.2019.01.031 BindingDB Entry DOI: 10.7270/Q2M61PPW
					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 recombinant human 5HT2A receptor expressed in HEK293 cells measured after 1.5 hrs by microbeta scintillation cou...				Eur J Med Chem 166: 144-158 (2019) Article DOI: 10.1016/j.ejmech.2019.01.031 BindingDB Entry DOI: 10.7270/Q2M61PPW
					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 recombinant human 5HT6 receptor expressed in HEK293 cells measured after 1 hr by microbeta scintillation counting analy...				Eur J Med Chem 166: 144-158 (2019) Article DOI: 10.1016/j.ejmech.2019.01.031 BindingDB Entry DOI: 10.7270/Q2M61PPW
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50526006 (CHEMBL4515193) Show SMILES Fc1ccc2[nH]cc(C3CCCN(CCCCn4c(=O)c(-c5ccccc5)c5ccccn5c4=O)C3)c2c1 Show InChI InChI=1S/C31H31FN4O2/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/h1-5,9-10,12-14,17,19-20,23,33H,6-8,11,15-16,18,21H2	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 measured after 60 mins by microbeta scintillation counting analysis				Eur J Med Chem 166: 144-158 (2019) Article DOI: 10.1016/j.ejmech.2019.01.031 BindingDB Entry DOI: 10.7270/Q2M61PPW
					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 recombinant human 5HT7 receptor expressed in HEK293 cells measured after 1 hr by microbeta scintillation counting anal...				Eur J Med Chem 166: 144-158 (2019) Article DOI: 10.1016/j.ejmech.2019.01.031 BindingDB Entry DOI: 10.7270/Q2M61PPW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50526014 (CHEMBL4469813) Show SMILES COc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccccc23)c1=O Show InChI InChI=1S/C32H34N4O3/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/h2-5,10-16,19,21,24,33H,6-9,17-18,20,22H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]-ketanserin from recombinant human 5HT2A receptor expressed in HEK293 cells measured after 1.5 hrs by microbeta scintillation cou...				Eur J Med Chem 166: 144-158 (2019) Article DOI: 10.1016/j.ejmech.2019.01.031 BindingDB Entry DOI: 10.7270/Q2M61PPW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50526007 (CHEMBL4451231) Show SMILES O=c1c(-c2ccccc2)c2ccccn2c(=O)n1CCCCN1CCCC(C1)c1c[nH]c2ccccc12 Show InChI InChI=1S/C31H32N4O2/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/h1-7,11-12,14-16,19,21,24,32H,8-10,13,17-18,20,22H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	22	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 recombinant human 5HT1A receptor expressed in CHO cell membranes measured after 60 mins by microbeta scintillatio...				Eur J Med Chem 166: 144-158 (2019) Article DOI: 10.1016/j.ejmech.2019.01.031 BindingDB Entry DOI: 10.7270/Q2M61PPW
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50526025 (CHEMBL4438147) Show SMILES COc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccc(F)cc23)c1=O Show InChI InChI=1S/C32H33FN4O3/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/h2-3,8-14,17,19-20,23,34H,4-7,15-16,18,21H2,1H3	PDB KEGG UniProtKB/SwissProt 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]-citalopram from SERT in rat cortex tissue measured after 60 mins by microbeta scintillation counting analysis				Eur J Med Chem 166: 144-158 (2019) Article DOI: 10.1016/j.ejmech.2019.01.031 BindingDB Entry DOI: 10.7270/Q2M61PPW
					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 measured after 60 mins by microbeta scintillation counting analysis				Eur J Med Chem 166: 144-158 (2019) Article DOI: 10.1016/j.ejmech.2019.01.031 BindingDB Entry DOI: 10.7270/Q2M61PPW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50526021 (CHEMBL4556098) Show SMILES Fc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccc(F)cc23)c1=O Show InChI InChI=1S/C31H30F2N4O2/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/h1-2,7-13,16,18-19,22,34H,3-6,14-15,17,20H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]-citalopram from SERT in rat cortex tissue measured after 60 mins by microbeta scintillation counting analysis				Eur J Med Chem 166: 144-158 (2019) Article DOI: 10.1016/j.ejmech.2019.01.031 BindingDB Entry DOI: 10.7270/Q2M61PPW
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50526014 (CHEMBL4469813) Show SMILES COc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccccc23)c1=O Show InChI InChI=1S/C32H34N4O3/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/h2-5,10-16,19,21,24,33H,6-9,17-18,20,22H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]-citalopram from SERT in rat cortex tissue measured after 60 mins by microbeta scintillation counting analysis				Eur J Med Chem 166: 144-158 (2019) Article DOI: 10.1016/j.ejmech.2019.01.031 BindingDB Entry DOI: 10.7270/Q2M61PPW
					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 recombinant human D2 receptor expressed in HEK293 cells measured after 1 hr by microbeta scintillation counting ...				Eur J Med Chem 166: 144-158 (2019) Article DOI: 10.1016/j.ejmech.2019.01.031 BindingDB Entry DOI: 10.7270/Q2M61PPW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50526014 (CHEMBL4469813) Show SMILES COc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccccc23)c1=O Show InChI InChI=1S/C32H34N4O3/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/h2-5,10-16,19,21,24,33H,6-9,17-18,20,22H2,1H3	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 recombinant human 5HT1A receptor expressed in CHO cell membranes measured after 60 mins by microbeta scintillatio...				Eur J Med Chem 166: 144-158 (2019) Article DOI: 10.1016/j.ejmech.2019.01.031 BindingDB Entry DOI: 10.7270/Q2M61PPW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50526008 (CHEMBL4462139) Show SMILES Fc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccccc23)c1=O Show InChI InChI=1S/C31H31FN4O2/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/h1-4,9-15,18,20,23,33H,5-8,16-17,19,21H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	46	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 recombinant human 5HT1A receptor expressed in CHO cell membranes measured after 60 mins by microbeta scintillatio...				Eur J Med Chem 166: 144-158 (2019) Article DOI: 10.1016/j.ejmech.2019.01.031 BindingDB Entry DOI: 10.7270/Q2M61PPW
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50526008 (CHEMBL4462139) Show SMILES Fc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccccc23)c1=O Show InChI InChI=1S/C31H31FN4O2/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/h1-4,9-15,18,20,23,33H,5-8,16-17,19,21H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	46	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 measured after 60 mins by microbeta scintillation counting analysis				Eur J Med Chem 166: 144-158 (2019) Article DOI: 10.1016/j.ejmech.2019.01.031 BindingDB Entry DOI: 10.7270/Q2M61PPW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50526029 (CHEMBL4587833) Show SMILES Clc1ccccc1-c1c2ccccn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccccc23)c1=O |(10.92,-18.52,;9.59,-17.75,;9.59,-16.21,;8.26,-15.43,;6.92,-16.21,;6.92,-17.74,;8.25,-18.51,;8.24,-20.05,;6.91,-20.81,;5.58,-20.04,;4.25,-20.81,;4.25,-22.35,;5.58,-23.12,;6.91,-22.35,;8.23,-23.13,;8.22,-24.67,;9.57,-22.37,;10.9,-23.14,;12.24,-22.38,;13.56,-23.16,;14.9,-22.4,;16.23,-23.17,;17.56,-22.41,;18.89,-23.19,;18.88,-24.73,;17.53,-25.49,;16.21,-24.71,;17.52,-27.03,;16.27,-27.92,;16.73,-29.39,;18.27,-29.41,;19.28,-30.56,;20.79,-30.25,;21.28,-28.79,;20.26,-27.64,;18.76,-27.95,;9.57,-20.83,;10.91,-20.06,)| Show InChI InChI=1S/C31H31ClN4O2/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/h1-6,11-15,18,20,22,33H,7-10,16-17,19,21H2	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 recombinant human 5HT1A receptor expressed in CHO cell membranes measured after 60 mins by microbeta scintillatio...				Eur J Med Chem 166: 144-158 (2019) Article DOI: 10.1016/j.ejmech.2019.01.031 BindingDB Entry DOI: 10.7270/Q2M61PPW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50526030 (CHEMBL4576769) Show SMILES Fc1ccccc1-c1c2ccccn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccccc23)c1=O |(9.7,-33.63,;8.37,-32.85,;8.37,-31.31,;7.04,-30.54,;5.7,-31.31,;5.7,-32.85,;7.03,-33.61,;7.02,-35.15,;5.69,-35.92,;4.36,-35.14,;3.03,-35.92,;3.03,-37.46,;4.36,-38.22,;5.69,-37.46,;7.01,-38.23,;7,-39.77,;8.35,-37.47,;9.68,-38.25,;11.01,-37.49,;12.34,-38.26,;13.68,-37.5,;15.01,-38.28,;16.34,-37.51,;17.67,-38.3,;17.65,-39.84,;16.31,-40.59,;14.99,-39.82,;16.3,-42.13,;15.05,-43.03,;15.51,-44.5,;17.04,-44.51,;18.06,-45.66,;19.57,-45.36,;20.06,-43.89,;19.04,-42.74,;17.54,-43.05,;8.35,-35.93,;9.69,-35.17,)| Show InChI InChI=1S/C31H31FN4O2/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/h1-6,11-15,18,20,22,33H,7-10,16-17,19,21H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from recombinant human 5HT1A receptor expressed in CHO cell membranes measured after 60 mins by microbeta scintillatio...				Eur J Med Chem 166: 144-158 (2019) Article DOI: 10.1016/j.ejmech.2019.01.031 BindingDB Entry DOI: 10.7270/Q2M61PPW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50526015 (CHEMBL4570209) Show SMILES COc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccc(OC)cc23)c1=O Show InChI InChI=1S/C33H36N4O4/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/h3-4,9-15,18,20-21,24,34H,5-8,16-17,19,22H2,1-2H3	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 recombinant human 5HT1A receptor expressed in CHO cell membranes measured after 60 mins by microbeta scintillatio...				Eur J Med Chem 166: 144-158 (2019) Article DOI: 10.1016/j.ejmech.2019.01.031 BindingDB Entry DOI: 10.7270/Q2M61PPW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50526027 (CHEMBL4441125) Show SMILES Cc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccccc23)c1=O Show InChI InChI=1S/C32H34N4O2/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/h2-5,10-16,19,21,25,33H,6-9,17-18,20,22H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	63	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 recombinant human 5HT1A receptor expressed in CHO cell membranes measured after 60 mins by microbeta scintillatio...				Eur J Med Chem 166: 144-158 (2019) Article DOI: 10.1016/j.ejmech.2019.01.031 BindingDB Entry DOI: 10.7270/Q2M61PPW
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50526007 (CHEMBL4451231) Show SMILES O=c1c(-c2ccccc2)c2ccccn2c(=O)n1CCCCN1CCCC(C1)c1c[nH]c2ccccc12 Show InChI InChI=1S/C31H32N4O2/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/h1-7,11-12,14-16,19,21,24,32H,8-10,13,17-18,20,22H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	68	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 measured after 60 mins by microbeta scintillation counting analysis				Eur J Med Chem 166: 144-158 (2019) Article DOI: 10.1016/j.ejmech.2019.01.031 BindingDB Entry DOI: 10.7270/Q2M61PPW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50526031 (CHEMBL4470492) Show SMILES COc1ccc2[nH]cc(C3CCCN(CCCCn4c(=O)c(-c5ccccc5OC)c5ccccn5c4=O)C3)c2c1 |(48.24,-29.68,;47.22,-28.53,;45.71,-28.84,;45.22,-30.31,;43.71,-30.61,;42.7,-29.46,;41.16,-29.45,;40.7,-27.98,;41.95,-27.08,;41.96,-25.54,;43.31,-24.79,;43.32,-23.25,;41.99,-22.46,;40.66,-23.23,;39.33,-22.45,;38,-23.21,;36.67,-22.43,;35.33,-23.2,;34,-22.42,;34,-20.88,;35.34,-20.12,;32.67,-20.1,;32.68,-18.56,;31.35,-17.8,;31.35,-16.26,;32.69,-15.49,;34.02,-16.26,;34.02,-17.8,;35.35,-18.57,;36.69,-17.81,;31.34,-20.87,;30.01,-20.09,;28.69,-20.87,;28.69,-22.41,;30.01,-23.17,;31.34,-22.41,;32.66,-23.18,;32.65,-24.72,;40.64,-24.77,;43.19,-28,;44.69,-27.69,)| Show InChI InChI=1S/C33H36N4O4/c1-40-24-14-15-28-26(20-24)27(21-34-28)23-10-9-17-35(22-23)16-7-8-19-37-32(38)31(25-11-3-4-13-30(25)41-2)29-12-5-6-18-36(29)33(37)39/h3-6,11-15,18,20-21,23,34H,7-10,16-17,19,22H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	69	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 recombinant human 5HT1A receptor expressed in CHO cell membranes measured after 60 mins by microbeta scintillatio...				Eur J Med Chem 166: 144-158 (2019) Article DOI: 10.1016/j.ejmech.2019.01.031 BindingDB Entry DOI: 10.7270/Q2M61PPW
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50526024 (CHEMBL4459776) Show SMILES Cc1ccccc1-c1c2ccccn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccccc23)c1=O |(34.58,-4.89,;33.25,-4.11,;33.25,-2.57,;31.92,-1.8,;30.58,-2.57,;30.58,-4.11,;31.91,-4.88,;31.9,-6.41,;30.57,-7.18,;29.24,-6.4,;27.92,-7.18,;27.92,-8.72,;29.24,-9.48,;30.57,-8.72,;31.89,-9.49,;31.88,-11.03,;33.23,-8.73,;34.56,-9.51,;35.9,-8.75,;37.22,-9.52,;38.56,-8.76,;39.89,-9.54,;41.22,-8.77,;42.55,-9.56,;42.54,-11.1,;41.19,-11.85,;39.87,-11.08,;41.18,-13.39,;39.93,-14.29,;40.39,-15.76,;41.93,-15.77,;42.94,-16.92,;44.45,-16.62,;44.94,-15.15,;43.92,-14.01,;42.42,-14.31,;33.23,-7.19,;34.57,-6.43,)| Show InChI InChI=1S/C32H34N4O2/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/h2-7,11,13-16,19,21,24,33H,8-10,12,17-18,20,22H2,1H3	PDB KEGG UniProtKB/SwissProt 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]-citalopram from SERT in rat cortex tissue measured after 60 mins by microbeta scintillation counting analysis				Eur J Med Chem 166: 144-158 (2019) Article DOI: 10.1016/j.ejmech.2019.01.031 BindingDB Entry DOI: 10.7270/Q2M61PPW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50526012 (CHEMBL4572860) Show SMILES COc1ccccc1-c1c2ccccn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccc(F)cc23)c1=O |(36.77,-17.02,;35.43,-17.78,;34.1,-17.01,;34.11,-15.47,;32.78,-14.69,;31.44,-15.47,;31.44,-17,;32.76,-17.77,;32.76,-19.31,;31.43,-20.07,;30.1,-19.3,;28.77,-20.07,;28.77,-21.62,;30.1,-22.38,;31.42,-21.62,;32.75,-22.39,;32.74,-23.93,;34.08,-21.63,;35.41,-22.4,;36.75,-21.64,;38.08,-22.42,;39.42,-21.66,;40.75,-22.43,;42.07,-21.67,;43.4,-22.45,;43.39,-23.99,;42.05,-24.75,;40.73,-23.97,;42.04,-26.29,;40.78,-27.18,;41.25,-28.65,;42.78,-28.66,;43.8,-29.82,;45.31,-29.51,;45.8,-28.05,;47.3,-27.74,;44.78,-26.9,;43.28,-27.21,;34.09,-20.09,;35.43,-19.32,)| Show InChI InChI=1S/C32H33FN4O3/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/h2-5,10-14,17,19-20,22,34H,6-9,15-16,18,21H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	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 recombinant human 5HT1A receptor expressed in CHO cell membranes measured after 60 mins by microbeta scintillatio...				Eur J Med Chem 166: 144-158 (2019) Article DOI: 10.1016/j.ejmech.2019.01.031 BindingDB Entry DOI: 10.7270/Q2M61PPW
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50526013 (CHEMBL4567376) Show SMILES Clc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccccc23)c1=O Show InChI InChI=1S/C31H31ClN4O2/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/h1-4,9-15,18,20,23,33H,5-8,16-17,19,21H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	82	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 measured after 60 mins by microbeta scintillation counting analysis				Eur J Med Chem 166: 144-158 (2019) Article DOI: 10.1016/j.ejmech.2019.01.031 BindingDB Entry DOI: 10.7270/Q2M61PPW
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50526015 (CHEMBL4570209) Show SMILES COc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccc(OC)cc23)c1=O Show InChI InChI=1S/C33H36N4O4/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/h3-4,9-15,18,20-21,24,34H,5-8,16-17,19,22H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	86	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 measured after 60 mins by microbeta scintillation counting analysis				Eur J Med Chem 166: 144-158 (2019) Article DOI: 10.1016/j.ejmech.2019.01.031 BindingDB Entry DOI: 10.7270/Q2M61PPW
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50526026 (CHEMBL4457041) Show SMILES Fc1ccc2[nH]cc(C3CCCN(CCCCn4c(=O)c(-c5ccc(Cl)cc5)c5ccccn5c4=O)C3)c2c1 Show InChI InChI=1S/C31H30ClFN4O2/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/h1-2,7-13,16,18-19,22,34H,3-6,14-15,17,20H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	86	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 measured after 60 mins by microbeta scintillation counting analysis				Eur J Med Chem 166: 144-158 (2019) Article DOI: 10.1016/j.ejmech.2019.01.031 BindingDB Entry DOI: 10.7270/Q2M61PPW
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50526011 (CHEMBL4466717) Show SMILES COc1ccc2[nH]cc(C3CCCN(CCCCn4c(=O)c(-c5ccccc5C)c5ccccn5c4=O)C3)c2c1 |(48.24,-15.82,;47.22,-14.66,;45.71,-14.97,;45.22,-16.44,;43.71,-16.74,;42.7,-15.59,;41.16,-15.58,;40.7,-14.11,;41.95,-13.21,;41.96,-11.68,;43.31,-10.92,;43.32,-9.38,;41.99,-8.59,;40.66,-9.36,;39.33,-8.58,;37.99,-9.34,;36.67,-8.57,;35.33,-9.33,;34,-8.55,;34,-7.01,;35.34,-6.25,;32.67,-6.23,;32.68,-4.7,;31.35,-3.93,;31.35,-2.39,;32.69,-1.62,;34.02,-2.39,;34.02,-3.93,;35.35,-4.71,;31.34,-7,;30.01,-6.22,;28.69,-7,;28.69,-8.54,;30.01,-9.3,;31.34,-8.54,;32.66,-9.31,;32.65,-10.85,;40.64,-10.9,;43.19,-14.13,;44.69,-13.83,)| Show InChI InChI=1S/C33H36N4O3/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/h3-6,10,12-15,18,20-21,24,34H,7-9,11,16-17,19,22H2,1-2H3	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 measured after 60 mins by microbeta scintillation counting analysis				Eur J Med Chem 166: 144-158 (2019) Article DOI: 10.1016/j.ejmech.2019.01.031 BindingDB Entry DOI: 10.7270/Q2M61PPW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50526024 (CHEMBL4459776) Show SMILES Cc1ccccc1-c1c2ccccn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccccc23)c1=O |(34.58,-4.89,;33.25,-4.11,;33.25,-2.57,;31.92,-1.8,;30.58,-2.57,;30.58,-4.11,;31.91,-4.88,;31.9,-6.41,;30.57,-7.18,;29.24,-6.4,;27.92,-7.18,;27.92,-8.72,;29.24,-9.48,;30.57,-8.72,;31.89,-9.49,;31.88,-11.03,;33.23,-8.73,;34.56,-9.51,;35.9,-8.75,;37.22,-9.52,;38.56,-8.76,;39.89,-9.54,;41.22,-8.77,;42.55,-9.56,;42.54,-11.1,;41.19,-11.85,;39.87,-11.08,;41.18,-13.39,;39.93,-14.29,;40.39,-15.76,;41.93,-15.77,;42.94,-16.92,;44.45,-16.62,;44.94,-15.15,;43.92,-14.01,;42.42,-14.31,;33.23,-7.19,;34.57,-6.43,)| Show InChI InChI=1S/C32H34N4O2/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/h2-7,11,13-16,19,21,24,33H,8-10,12,17-18,20,22H2,1H3	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 recombinant human 5HT1A receptor expressed in CHO cell membranes measured after 60 mins by microbeta scintillatio...				Eur J Med Chem 166: 144-158 (2019) Article DOI: 10.1016/j.ejmech.2019.01.031 BindingDB Entry DOI: 10.7270/Q2M61PPW
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50526029 (CHEMBL4587833) Show SMILES Clc1ccccc1-c1c2ccccn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccccc23)c1=O |(10.92,-18.52,;9.59,-17.75,;9.59,-16.21,;8.26,-15.43,;6.92,-16.21,;6.92,-17.74,;8.25,-18.51,;8.24,-20.05,;6.91,-20.81,;5.58,-20.04,;4.25,-20.81,;4.25,-22.35,;5.58,-23.12,;6.91,-22.35,;8.23,-23.13,;8.22,-24.67,;9.57,-22.37,;10.9,-23.14,;12.24,-22.38,;13.56,-23.16,;14.9,-22.4,;16.23,-23.17,;17.56,-22.41,;18.89,-23.19,;18.88,-24.73,;17.53,-25.49,;16.21,-24.71,;17.52,-27.03,;16.27,-27.92,;16.73,-29.39,;18.27,-29.41,;19.28,-30.56,;20.79,-30.25,;21.28,-28.79,;20.26,-27.64,;18.76,-27.95,;9.57,-20.83,;10.91,-20.06,)| Show InChI InChI=1S/C31H31ClN4O2/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/h1-6,11-15,18,20,22,33H,7-10,16-17,19,21H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	103	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 measured after 60 mins by microbeta scintillation counting analysis				Eur J Med Chem 166: 144-158 (2019) Article DOI: 10.1016/j.ejmech.2019.01.031 BindingDB Entry DOI: 10.7270/Q2M61PPW
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50526023 (CHEMBL4439370) Show SMILES Fc1ccc2[nH]cc(C3CCCN(CCCCn4c(=O)c(-c5ccccc5F)c5ccccn5c4=O)C3)c2c1 |(23.53,-42.07,;22.03,-42.37,;21.54,-43.84,;20.03,-44.14,;19.01,-42.99,;17.48,-42.98,;17.01,-41.51,;18.27,-40.62,;18.28,-39.08,;19.62,-38.32,;19.64,-36.78,;18.31,-35.99,;16.98,-36.76,;15.65,-35.98,;14.31,-36.75,;12.98,-35.97,;11.64,-36.73,;10.31,-35.95,;10.32,-34.41,;11.66,-33.65,;8.99,-33.63,;8.99,-32.1,;7.67,-31.33,;7.67,-29.79,;9.01,-29.02,;10.34,-29.79,;10.33,-31.33,;11.66,-32.11,;7.66,-34.4,;6.33,-33.62,;5,-34.4,;5,-35.94,;6.33,-36.7,;7.65,-35.94,;8.98,-36.71,;8.97,-38.25,;16.96,-38.3,;19.51,-41.53,;21.01,-41.23,)| Show InChI InChI=1S/C31H30F2N4O2/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/h1-4,9-13,16,18-19,21,34H,5-8,14-15,17,20H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	115	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 measured after 60 mins by microbeta scintillation counting analysis				Eur J Med Chem 166: 144-158 (2019) Article DOI: 10.1016/j.ejmech.2019.01.031 BindingDB Entry DOI: 10.7270/Q2M61PPW
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50526012 (CHEMBL4572860) Show SMILES COc1ccccc1-c1c2ccccn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccc(F)cc23)c1=O |(36.77,-17.02,;35.43,-17.78,;34.1,-17.01,;34.11,-15.47,;32.78,-14.69,;31.44,-15.47,;31.44,-17,;32.76,-17.77,;32.76,-19.31,;31.43,-20.07,;30.1,-19.3,;28.77,-20.07,;28.77,-21.62,;30.1,-22.38,;31.42,-21.62,;32.75,-22.39,;32.74,-23.93,;34.08,-21.63,;35.41,-22.4,;36.75,-21.64,;38.08,-22.42,;39.42,-21.66,;40.75,-22.43,;42.07,-21.67,;43.4,-22.45,;43.39,-23.99,;42.05,-24.75,;40.73,-23.97,;42.04,-26.29,;40.78,-27.18,;41.25,-28.65,;42.78,-28.66,;43.8,-29.82,;45.31,-29.51,;45.8,-28.05,;47.3,-27.74,;44.78,-26.9,;43.28,-27.21,;34.09,-20.09,;35.43,-19.32,)| Show InChI InChI=1S/C32H33FN4O3/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/h2-5,10-14,17,19-20,22,34H,6-9,15-16,18,21H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	118	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]-citalopram from SERT in rat cortex tissue measured after 60 mins by microbeta scintillation counting analysis				Eur J Med Chem 166: 144-158 (2019) Article DOI: 10.1016/j.ejmech.2019.01.031 BindingDB Entry DOI: 10.7270/Q2M61PPW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50526019 (CHEMBL4441004) Show SMILES COc1ccc2[nH]cc(C3CCCN(CCCCn4c(=O)c(-c5ccccc5F)c5ccccn5c4=O)C3)c2c1 |(24.47,-44.01,;23.45,-42.86,;21.94,-43.17,;21.45,-44.63,;19.94,-44.94,;18.93,-43.79,;17.39,-43.77,;16.93,-42.3,;18.18,-41.41,;18.19,-39.87,;19.54,-39.11,;19.55,-37.57,;18.22,-36.79,;16.89,-37.55,;15.56,-36.78,;14.23,-37.54,;12.9,-36.76,;11.56,-37.52,;10.23,-36.75,;10.24,-35.21,;11.57,-34.44,;8.9,-34.43,;8.91,-32.89,;7.58,-32.12,;7.58,-30.59,;8.92,-29.81,;10.25,-30.59,;10.25,-32.13,;11.58,-32.9,;7.57,-35.2,;6.24,-34.42,;4.92,-35.2,;4.92,-36.74,;6.24,-37.5,;7.57,-36.74,;8.89,-37.51,;8.88,-39.05,;16.87,-39.09,;19.42,-42.33,;20.92,-42.02,)| Show InChI InChI=1S/C32H33FN4O3/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/h2-5,10-14,17,19-20,22,34H,6-9,15-16,18,21H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	130	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 recombinant human 5HT1A receptor expressed in CHO cell membranes measured after 60 mins by microbeta scintillatio...				Eur J Med Chem 166: 144-158 (2019) Article DOI: 10.1016/j.ejmech.2019.01.031 BindingDB Entry DOI: 10.7270/Q2M61PPW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50526028 (CHEMBL4473888) Show SMILES COc1ccccc1-c1c2ccccn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccccc23)c1=O |(36.19,-18.42,;34.85,-19.19,;33.52,-18.41,;33.53,-16.88,;32.19,-16.1,;30.85,-16.88,;30.85,-18.41,;32.18,-19.18,;32.18,-20.71,;30.85,-21.48,;29.52,-20.71,;28.19,-21.48,;28.19,-23.02,;29.52,-23.79,;30.84,-23.02,;32.16,-23.8,;32.15,-25.34,;33.5,-23.03,;34.83,-23.81,;36.17,-23.05,;37.5,-23.83,;38.84,-23.06,;40.17,-23.84,;41.49,-23.08,;42.82,-23.86,;42.81,-25.4,;41.47,-26.16,;40.15,-25.38,;41.46,-27.7,;40.2,-28.59,;40.66,-30.06,;42.2,-30.07,;43.22,-31.23,;44.73,-30.92,;45.21,-29.46,;44.19,-28.31,;42.69,-28.61,;33.51,-21.49,;34.85,-20.73,)| Show InChI InChI=1S/C32H34N4O3/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/h2-7,12-16,19,21,23,33H,8-11,17-18,20,22H2,1H3	PDB UniProtKB/SwissProt antibodypedia 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]-8-OH-DPAT from recombinant human 5HT1A receptor expressed in CHO cell membranes measured after 60 mins by microbeta scintillatio...				Eur J Med Chem 166: 144-158 (2019) Article DOI: 10.1016/j.ejmech.2019.01.031 BindingDB Entry DOI: 10.7270/Q2M61PPW
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50526020 (CHEMBL4473005) Show SMILES Cc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccc(F)cc23)c1=O Show InChI InChI=1S/C32H33FN4O2/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/h2-3,8-14,17,19-20,24,34H,4-7,15-16,18,21H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	135	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 measured after 60 mins by microbeta scintillation counting analysis				Eur J Med Chem 166: 144-158 (2019) Article DOI: 10.1016/j.ejmech.2019.01.031 BindingDB Entry DOI: 10.7270/Q2M61PPW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50526020 (CHEMBL4473005) Show SMILES Cc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccc(F)cc23)c1=O Show InChI InChI=1S/C32H33FN4O2/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/h2-3,8-14,17,19-20,24,34H,4-7,15-16,18,21H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	136	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 recombinant human 5HT1A receptor expressed in CHO cell membranes measured after 60 mins by microbeta scintillatio...				Eur J Med Chem 166: 144-158 (2019) Article DOI: 10.1016/j.ejmech.2019.01.031 BindingDB Entry DOI: 10.7270/Q2M61PPW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50526025 (CHEMBL4438147) Show SMILES COc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccc(F)cc23)c1=O Show InChI InChI=1S/C32H33FN4O3/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/h2-3,8-14,17,19-20,23,34H,4-7,15-16,18,21H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	140	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 recombinant human 5HT1A receptor expressed in CHO cell membranes measured after 60 mins by microbeta scintillatio...				Eur J Med Chem 166: 144-158 (2019) Article DOI: 10.1016/j.ejmech.2019.01.031 BindingDB Entry DOI: 10.7270/Q2M61PPW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50526021 (CHEMBL4556098) Show SMILES Fc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccc(F)cc23)c1=O Show InChI InChI=1S/C31H30F2N4O2/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/h1-2,7-13,16,18-19,22,34H,3-6,14-15,17,20H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	147	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 recombinant human 5HT1A receptor expressed in CHO cell membranes measured after 60 mins by microbeta scintillatio...				Eur J Med Chem 166: 144-158 (2019) Article DOI: 10.1016/j.ejmech.2019.01.031 BindingDB Entry DOI: 10.7270/Q2M61PPW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50526026 (CHEMBL4457041) Show SMILES Fc1ccc2[nH]cc(C3CCCN(CCCCn4c(=O)c(-c5ccc(Cl)cc5)c5ccccn5c4=O)C3)c2c1 Show InChI InChI=1S/C31H30ClFN4O2/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/h1-2,7-13,16,18-19,22,34H,3-6,14-15,17,20H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	155	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 recombinant human 5HT1A receptor expressed in CHO cell membranes measured after 60 mins by microbeta scintillatio...				Eur J Med Chem 166: 144-158 (2019) Article DOI: 10.1016/j.ejmech.2019.01.031 BindingDB Entry DOI: 10.7270/Q2M61PPW
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50526016 (CHEMBL4518119) Show SMILES COc1ccc2[nH]cc(C3CCCN(CCCCn4c(=O)c(-c5ccc(C)cc5)c5ccccn5c4=O)C3)c2c1 Show InChI InChI=1S/C33H36N4O3/c1-23-10-12-24(13-11-23)31-30-9-3-4-18-36(30)33(39)37(32(31)38)19-6-5-16-35-17-7-8-25(22-35)28-21-34-29-15-14-26(40-2)20-27(28)29/h3-4,9-15,18,20-21,25,34H,5-8,16-17,19,22H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	173	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 measured after 60 mins by microbeta scintillation counting analysis				Eur J Med Chem 166: 144-158 (2019) Article DOI: 10.1016/j.ejmech.2019.01.031 BindingDB Entry DOI: 10.7270/Q2M61PPW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50526009 (CHEMBL4563197) Show SMILES COc1ccc2[nH]cc(C3CCCN(CCCCn4c(=O)c(-c5ccccc5Cl)c5ccccn5c4=O)C3)c2c1 |(22.43,-29.85,;21.41,-28.7,;19.9,-29.01,;19.41,-30.47,;17.9,-30.77,;16.89,-29.62,;15.35,-29.61,;14.89,-28.14,;16.15,-27.25,;16.16,-25.71,;17.5,-24.95,;17.51,-23.41,;16.18,-22.62,;14.86,-23.39,;13.53,-22.61,;12.19,-23.38,;10.86,-22.6,;9.52,-23.36,;8.19,-22.58,;8.2,-21.04,;9.54,-20.28,;6.87,-20.26,;6.87,-18.73,;5.54,-17.96,;5.54,-16.42,;6.88,-15.65,;8.22,-16.42,;8.21,-17.96,;9.54,-18.74,;5.54,-21.03,;4.21,-20.25,;2.88,-21.03,;2.88,-22.57,;4.21,-23.33,;5.53,-22.57,;6.85,-23.34,;6.84,-24.88,;14.84,-24.93,;17.38,-28.16,;18.88,-27.86,)| Show InChI InChI=1S/C32H33ClN4O3/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/h2-5,10-14,17,19-20,22,34H,6-9,15-16,18,21H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	176	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 recombinant human 5HT1A receptor expressed in CHO cell membranes measured after 60 mins by microbeta scintillatio...				Eur J Med Chem 166: 144-158 (2019) Article DOI: 10.1016/j.ejmech.2019.01.031 BindingDB Entry DOI: 10.7270/Q2M61PPW
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50526017 (CHEMBL4570910) Show SMILES COc1ccc2[nH]cc(C3CCCN(CCCCn4c(=O)c(-c5ccc(F)cc5)c5ccccn5c4=O)C3)c2c1 Show InChI InChI=1S/C32H33FN4O3/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/h2-3,8-14,17,19-20,23,34H,4-7,15-16,18,21H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	192	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 measured after 60 mins by microbeta scintillation counting analysis				Eur J Med Chem 166: 144-158 (2019) Article DOI: 10.1016/j.ejmech.2019.01.031 BindingDB Entry DOI: 10.7270/Q2M61PPW
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50526027 (CHEMBL4441125) Show SMILES Cc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccccc23)c1=O Show InChI InChI=1S/C32H34N4O2/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/h2-5,10-16,19,21,25,33H,6-9,17-18,20,22H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	207	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 measured after 60 mins by microbeta scintillation counting analysis				Eur J Med Chem 166: 144-158 (2019) Article DOI: 10.1016/j.ejmech.2019.01.031 BindingDB Entry DOI: 10.7270/Q2M61PPW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50526006 (CHEMBL4515193) Show SMILES Fc1ccc2[nH]cc(C3CCCN(CCCCn4c(=O)c(-c5ccccc5)c5ccccn5c4=O)C3)c2c1 Show InChI InChI=1S/C31H31FN4O2/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/h1-5,9-10,12-14,17,19-20,23,33H,6-8,11,15-16,18,21H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	209	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 recombinant human 5HT1A receptor expressed in CHO cell membranes measured after 60 mins by microbeta scintillatio...				Eur J Med Chem 166: 144-158 (2019) Article DOI: 10.1016/j.ejmech.2019.01.031 BindingDB Entry DOI: 10.7270/Q2M61PPW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50526023 (CHEMBL4439370) Show SMILES Fc1ccc2[nH]cc(C3CCCN(CCCCn4c(=O)c(-c5ccccc5F)c5ccccn5c4=O)C3)c2c1 |(23.53,-42.07,;22.03,-42.37,;21.54,-43.84,;20.03,-44.14,;19.01,-42.99,;17.48,-42.98,;17.01,-41.51,;18.27,-40.62,;18.28,-39.08,;19.62,-38.32,;19.64,-36.78,;18.31,-35.99,;16.98,-36.76,;15.65,-35.98,;14.31,-36.75,;12.98,-35.97,;11.64,-36.73,;10.31,-35.95,;10.32,-34.41,;11.66,-33.65,;8.99,-33.63,;8.99,-32.1,;7.67,-31.33,;7.67,-29.79,;9.01,-29.02,;10.34,-29.79,;10.33,-31.33,;11.66,-32.11,;7.66,-34.4,;6.33,-33.62,;5,-34.4,;5,-35.94,;6.33,-36.7,;7.65,-35.94,;8.98,-36.71,;8.97,-38.25,;16.96,-38.3,;19.51,-41.53,;21.01,-41.23,)| Show InChI InChI=1S/C31H30F2N4O2/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/h1-4,9-13,16,18-19,21,34H,5-8,14-15,17,20H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	218	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 recombinant human 5HT1A receptor expressed in CHO cell membranes measured after 60 mins by microbeta scintillatio...				Eur J Med Chem 166: 144-158 (2019) Article DOI: 10.1016/j.ejmech.2019.01.031 BindingDB Entry DOI: 10.7270/Q2M61PPW
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50526030 (CHEMBL4576769) Show SMILES Fc1ccccc1-c1c2ccccn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccccc23)c1=O |(9.7,-33.63,;8.37,-32.85,;8.37,-31.31,;7.04,-30.54,;5.7,-31.31,;5.7,-32.85,;7.03,-33.61,;7.02,-35.15,;5.69,-35.92,;4.36,-35.14,;3.03,-35.92,;3.03,-37.46,;4.36,-38.22,;5.69,-37.46,;7.01,-38.23,;7,-39.77,;8.35,-37.47,;9.68,-38.25,;11.01,-37.49,;12.34,-38.26,;13.68,-37.5,;15.01,-38.28,;16.34,-37.51,;17.67,-38.3,;17.65,-39.84,;16.31,-40.59,;14.99,-39.82,;16.3,-42.13,;15.05,-43.03,;15.51,-44.5,;17.04,-44.51,;18.06,-45.66,;19.57,-45.36,;20.06,-43.89,;19.04,-42.74,;17.54,-43.05,;8.35,-35.93,;9.69,-35.17,)| Show InChI InChI=1S/C31H31FN4O2/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/h1-6,11-15,18,20,22,33H,7-10,16-17,19,21H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	240	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 measured after 60 mins by microbeta scintillation counting analysis				Eur J Med Chem 166: 144-158 (2019) Article DOI: 10.1016/j.ejmech.2019.01.031 BindingDB Entry DOI: 10.7270/Q2M61PPW
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50526005 (CHEMBL4475065) Show SMILES COc1ccc2[nH]cc(C3CCCN(CCCCn4c(=O)c(-c5ccccc5)c5ccccn5c4=O)C3)c2c1 Show InChI InChI=1S/C32H34N4O3/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/h2-6,10-11,13-15,18,20-21,24,33H,7-9,12,16-17,19,22H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	248	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 measured after 60 mins by microbeta scintillation counting analysis				Eur J Med Chem 166: 144-158 (2019) Article DOI: 10.1016/j.ejmech.2019.01.031 BindingDB Entry DOI: 10.7270/Q2M61PPW
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50526010 (CHEMBL4451382) Show SMILES Fc1ccc2[nH]cc(C3CCCN(CCCCn4c(=O)c(-c5ccccc5Cl)c5ccccn5c4=O)C3)c2c1 |(21.5,-27.9,;19.99,-28.21,;19.5,-29.68,;17.99,-29.98,;16.97,-28.83,;15.44,-28.82,;14.98,-27.35,;16.23,-26.45,;16.24,-24.91,;17.58,-24.16,;17.6,-22.62,;16.27,-21.83,;14.94,-22.6,;13.61,-21.82,;12.27,-22.58,;10.94,-21.8,;9.61,-22.57,;8.28,-21.79,;8.28,-20.25,;9.62,-19.49,;6.95,-19.47,;6.96,-17.93,;5.63,-17.17,;5.63,-15.63,;6.97,-14.86,;8.3,-15.63,;8.3,-17.17,;9.63,-17.94,;5.62,-20.24,;4.29,-19.46,;2.96,-20.24,;2.96,-21.78,;4.29,-22.54,;5.62,-21.78,;6.94,-22.55,;6.93,-24.09,;14.92,-24.14,;17.47,-27.37,;18.97,-27.06,)| Show InChI InChI=1S/C31H30ClFN4O2/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/h1-4,9-13,16,18-19,21,34H,5-8,14-15,17,20H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	255	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 measured after 60 mins by microbeta scintillation counting analysis				Eur J Med Chem 166: 144-158 (2019) Article DOI: 10.1016/j.ejmech.2019.01.031 BindingDB Entry DOI: 10.7270/Q2M61PPW
					More data for this Ligand-Target Pair

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