Compile Data Set for Download or QSAR

Found 46 hits Enz. Inhib. hit(s) with all data for entry = 50002930   

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
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM29568 (CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1 Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)	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	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from alpha1-adrenoceptor (unknown origin) in cerebral cortex membranes after 60 mins by TopCount scintillation counting ...				Eur J Med Chem 144: 701-715 (2018) Article DOI: 10.1016/j.ejmech.2017.12.063 BindingDB Entry DOI: 10.7270/Q26D5WP7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50464861 (CHEMBL4291322) Show SMILES Fc1ccc2[nH]cc(CCN3CCN(CC3)c3ccccc3-c3ccccc3)c2c1 Show InChI InChI=1S/C26H26FN3/c27-22-10-11-25-24(18-22)21(19-28-25)12-13-29-14-16-30(17-15-29)26-9-5-4-8-23(26)20-6-2-1-3-7-20/h1-11,18-19,28H,12-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Displacement of [3H]LSD from recombinant human 5-HT7 receptor expressed in CHO cell membranes after 120 mins by TopCount scintillation counting metho...				Eur J Med Chem 144: 701-715 (2018) Article DOI: 10.1016/j.ejmech.2017.12.063 BindingDB Entry DOI: 10.7270/Q26D5WP7
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50150105 (CHEMBL124069 | [2-(6-Fluoro-chroman-8-yloxy)-ethyl...) Show SMILES Fc1cc2CCCOc2c(OCCNCCCc2c[nH]c3ccc(F)cc23)c1 Show InChI InChI=1S/C22H24F2N2O2/c23-17-5-6-20-19(12-17)16(14-26-20)3-1-7-25-8-10-27-21-13-18(24)11-15-4-2-9-28-22(15)21/h5-6,11-14,25-26H,1-4,7-10H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Inhibition of serotonin reuptake in SERT (unknown origin)				Eur J Med Chem 144: 701-715 (2018) Article DOI: 10.1016/j.ejmech.2017.12.063 BindingDB Entry DOI: 10.7270/Q26D5WP7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50464861 (CHEMBL4291322) Show SMILES Fc1ccc2[nH]cc(CCN3CCN(CC3)c3ccccc3-c3ccccc3)c2c1 Show InChI InChI=1S/C26H26FN3/c27-22-10-11-25-24(18-22)21(19-28-25)12-13-29-14-16-30(17-15-29)26-9-5-4-8-23(26)20-6-2-1-3-7-20/h1-11,18-19,28H,12-17H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from recombinant human 5-HT1A receptor expressed in HEK293 cell membranes after 60 mins by TopCount scintillation count...				Eur J Med Chem 144: 701-715 (2018) Article DOI: 10.1016/j.ejmech.2017.12.063 BindingDB Entry DOI: 10.7270/Q26D5WP7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50464857 (CHEMBL4277476) Show SMILES Fc1cccc(c1)-c1c(F)cccc1N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1 Show InChI InChI=1S/C27H26F3N3/c28-21-6-1-4-19(16-21)27-24(30)7-2-8-26(27)33-14-12-32(13-15-33)11-3-5-20-18-31-25-10-9-22(29)17-23(20)25/h1-2,4,6-10,16-18,31H,3,5,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Displacement of [3H]LSD from recombinant human 5-HT7 receptor expressed in CHO cell membranes after 120 mins by TopCount scintillation counting metho...				Eur J Med Chem 144: 701-715 (2018) Article DOI: 10.1016/j.ejmech.2017.12.063 BindingDB Entry DOI: 10.7270/Q26D5WP7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50464863 (CHEMBL4285796) Show SMILES Fc1cccc(c1)-c1ccccc1N1CCN(CCc2c[nH]c3ccc(F)cc23)CC1 Show InChI InChI=1S/C26H25F2N3/c27-21-5-3-4-19(16-21)23-6-1-2-7-26(23)31-14-12-30(13-15-31)11-10-20-18-29-25-9-8-22(28)17-24(20)25/h1-9,16-18,29H,10-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.790	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Displacement of [3H]LSD from recombinant human 5-HT7 receptor expressed in CHO cell membranes after 120 mins by TopCount scintillation counting metho...				Eur J Med Chem 144: 701-715 (2018) Article DOI: 10.1016/j.ejmech.2017.12.063 BindingDB Entry DOI: 10.7270/Q26D5WP7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50464866 (CHEMBL4278933) Show SMILES Fc1cccc(c1)-c1ccccc1N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1 Show InChI InChI=1S/C27H27F2N3/c28-22-7-3-5-20(17-22)24-8-1-2-9-27(24)32-15-13-31(14-16-32)12-4-6-21-19-30-26-11-10-23(29)18-25(21)26/h1-3,5,7-11,17-19,30H,4,6,12-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Displacement of [3H]LSD from recombinant human 5-HT7 receptor expressed in CHO cell membranes after 120 mins by TopCount scintillation counting metho...				Eur J Med Chem 144: 701-715 (2018) Article DOI: 10.1016/j.ejmech.2017.12.063 BindingDB Entry DOI: 10.7270/Q26D5WP7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50464864 (CHEMBL4286174) Show SMILES Fc1ccc2[nH]cc(CCCN3CCN(CC3)c3ccccc3-c3ccccc3)c2c1 Show InChI InChI=1S/C27H28FN3/c28-23-12-13-26-25(19-23)22(20-29-26)9-6-14-30-15-17-31(18-16-30)27-11-5-4-10-24(27)21-7-2-1-3-8-21/h1-5,7-8,10-13,19-20,29H,6,9,14-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Displacement of [3H]LSD from recombinant human 5-HT7 receptor expressed in CHO cell membranes after 120 mins by TopCount scintillation counting metho...				Eur J Med Chem 144: 701-715 (2018) Article DOI: 10.1016/j.ejmech.2017.12.063 BindingDB Entry DOI: 10.7270/Q26D5WP7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50452372 (CHEMBL4204665) Show SMILES COc1ccccc1N1CCN(CCCN2CCOc3ccccc23)CC1 Show InChI InChI=1S/C22H29N3O2/c1-26-21-9-4-2-7-19(21)25-15-13-23(14-16-25)11-6-12-24-17-18-27-22-10-5-3-8-20(22)24/h2-5,7-10H,6,11-18H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Binding affinity to 5-HT1A receptor (unknown origin)				Eur J Med Chem 144: 701-715 (2018) Article DOI: 10.1016/j.ejmech.2017.12.063 BindingDB Entry DOI: 10.7270/Q26D5WP7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50464859 (CHEMBL4289361) Show SMILES Fc1cc(N2CCN(CCc3coc4ccccc34)CC2)c2ncccc2c1 Show InChI InChI=1S/C23H22FN3O/c24-19-14-17-4-3-8-25-23(17)21(15-19)27-12-10-26(11-13-27)9-7-18-16-28-22-6-2-1-5-20(18)22/h1-6,8,14-16H,7,9-13H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Binding affinity to 5-HT1A receptor (unknown origin)				Eur J Med Chem 144: 701-715 (2018) Article DOI: 10.1016/j.ejmech.2017.12.063 BindingDB Entry DOI: 10.7270/Q26D5WP7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50464858 (CHEMBL4294077) Show SMILES Fc1ccc2[nH]cc(CCN3CCN(CC3)c3ccccc3-c3ccccc3F)c2c1 Show InChI InChI=1S/C26H25F2N3/c27-20-9-10-25-23(17-20)19(18-29-25)11-12-30-13-15-31(16-14-30)26-8-4-2-6-22(26)21-5-1-3-7-24(21)28/h1-10,17-18,29H,11-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Displacement of [3H]LSD from recombinant human 5-HT7 receptor expressed in CHO cell membranes after 120 mins by TopCount scintillation counting metho...				Eur J Med Chem 144: 701-715 (2018) Article DOI: 10.1016/j.ejmech.2017.12.063 BindingDB Entry DOI: 10.7270/Q26D5WP7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50464856 (CHEMBL4288120) Show SMILES Fc1cccc(c1)-c1ccc(F)cc1N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1 Show InChI InChI=1S/C27H26F3N3/c28-21-5-1-3-19(15-21)24-8-6-23(30)17-27(24)33-13-11-32(12-14-33)10-2-4-20-18-31-26-9-7-22(29)16-25(20)26/h1,3,5-9,15-18,31H,2,4,10-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Displacement of [3H]LSD from recombinant human 5-HT7 receptor expressed in CHO cell membranes after 120 mins by TopCount scintillation counting metho...				Eur J Med Chem 144: 701-715 (2018) Article DOI: 10.1016/j.ejmech.2017.12.063 BindingDB Entry DOI: 10.7270/Q26D5WP7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50464867 (CHEMBL4289783) Show SMILES Fc1ccc(N2CCN(CCCc3c[nH]c4ccc(F)cc34)CC2)c(c1)-c1ccccc1 Show InChI InChI=1S/C27H27F2N3/c28-22-8-10-26-24(17-22)21(19-30-26)7-4-12-31-13-15-32(16-14-31)27-11-9-23(29)18-25(27)20-5-2-1-3-6-20/h1-3,5-6,8-11,17-19,30H,4,7,12-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Displacement of [3H]LSD from recombinant human 5-HT7 receptor expressed in CHO cell membranes after 120 mins by TopCount scintillation counting metho...				Eur J Med Chem 144: 701-715 (2018) Article DOI: 10.1016/j.ejmech.2017.12.063 BindingDB Entry DOI: 10.7270/Q26D5WP7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50464863 (CHEMBL4285796) Show SMILES Fc1cccc(c1)-c1ccccc1N1CCN(CCc2c[nH]c3ccc(F)cc23)CC1 Show InChI InChI=1S/C26H25F2N3/c27-21-5-3-4-19(16-21)23-6-1-2-7-26(23)31-14-12-30(13-15-31)11-10-20-18-29-25-9-8-22(28)17-24(20)25/h1-9,16-18,29H,10-15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from recombinant human 5-HT1A receptor expressed in HEK293 cell membranes after 60 mins by TopCount scintillation count...				Eur J Med Chem 144: 701-715 (2018) Article DOI: 10.1016/j.ejmech.2017.12.063 BindingDB Entry DOI: 10.7270/Q26D5WP7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50464866 (CHEMBL4278933) Show SMILES Fc1cccc(c1)-c1ccccc1N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1 Show InChI InChI=1S/C27H27F2N3/c28-22-7-3-5-20(17-22)24-8-1-2-9-27(24)32-15-13-31(14-16-32)12-4-6-21-19-30-26-11-10-23(29)18-25(21)26/h1-3,5,7-11,17-19,30H,4,6,12-16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from recombinant human 5-HT1A receptor expressed in HEK293 cell membranes after 60 mins by TopCount scintillation count...				Eur J Med Chem 144: 701-715 (2018) Article DOI: 10.1016/j.ejmech.2017.12.063 BindingDB Entry DOI: 10.7270/Q26D5WP7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50400902 (1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...) Show SMILES Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1 Show InChI InChI=1S/C18H22N2S/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	9.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from recombinant human 5-HT1A receptor expressed in HEK293 cell membranes after 60 mins by TopCount scintillation count...				Eur J Med Chem 144: 701-715 (2018) Article DOI: 10.1016/j.ejmech.2017.12.063 BindingDB Entry DOI: 10.7270/Q26D5WP7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50464865 (CHEMBL4289605) Show SMILES Fc1cccc(c1)-c1cc(F)ccc1N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1 Show InChI InChI=1S/C27H26F3N3/c28-21-5-1-3-19(15-21)25-17-23(30)7-9-27(25)33-13-11-32(12-14-33)10-2-4-20-18-31-26-8-6-22(29)16-24(20)26/h1,3,5-9,15-18,31H,2,4,10-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Displacement of [3H]LSD from recombinant human 5-HT7 receptor expressed in CHO cell membranes after 120 mins by TopCount scintillation counting metho...				Eur J Med Chem 144: 701-715 (2018) Article DOI: 10.1016/j.ejmech.2017.12.063 BindingDB Entry DOI: 10.7270/Q26D5WP7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50464864 (CHEMBL4286174) Show SMILES Fc1ccc2[nH]cc(CCCN3CCN(CC3)c3ccccc3-c3ccccc3)c2c1 Show InChI InChI=1S/C27H28FN3/c28-23-12-13-26-25(19-23)22(20-29-26)9-6-14-30-15-17-31(18-16-30)27-11-5-4-10-24(27)21-7-2-1-3-8-21/h1-5,7-8,10-13,19-20,29H,6,9,14-18H2	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
Shanghai Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from recombinant human 5-HT1A receptor expressed in HEK293 cell membranes after 60 mins by TopCount scintillation count...				Eur J Med Chem 144: 701-715 (2018) Article DOI: 10.1016/j.ejmech.2017.12.063 BindingDB Entry DOI: 10.7270/Q26D5WP7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50464856 (CHEMBL4288120) Show SMILES Fc1cccc(c1)-c1ccc(F)cc1N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1 Show InChI InChI=1S/C27H26F3N3/c28-21-5-1-3-19(15-21)24-8-6-23(30)17-27(24)33-13-11-32(12-14-33)10-2-4-20-18-31-26-9-7-22(29)16-25(20)26/h1,3,5-9,15-18,31H,2,4,10-14H2	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
Shanghai Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from recombinant human 5-HT1A receptor expressed in HEK293 cell membranes after 60 mins by TopCount scintillation count...				Eur J Med Chem 144: 701-715 (2018) Article DOI: 10.1016/j.ejmech.2017.12.063 BindingDB Entry DOI: 10.7270/Q26D5WP7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50464857 (CHEMBL4277476) Show SMILES Fc1cccc(c1)-c1c(F)cccc1N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1 Show InChI InChI=1S/C27H26F3N3/c28-21-6-1-4-19(16-21)27-24(30)7-2-8-26(27)33-14-12-32(13-15-33)11-3-5-20-18-31-25-10-9-22(29)17-23(20)25/h1-2,4,6-10,16-18,31H,3,5,11-15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from recombinant human 5-HT1A receptor expressed in HEK293 cell membranes after 60 mins by TopCount scintillation count...				Eur J Med Chem 144: 701-715 (2018) Article DOI: 10.1016/j.ejmech.2017.12.063 BindingDB Entry DOI: 10.7270/Q26D5WP7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50464858 (CHEMBL4294077) Show SMILES Fc1ccc2[nH]cc(CCN3CCN(CC3)c3ccccc3-c3ccccc3F)c2c1 Show InChI InChI=1S/C26H25F2N3/c27-20-9-10-25-23(17-20)19(18-29-25)11-12-30-13-15-31(16-14-30)26-8-4-2-6-22(26)21-5-1-3-7-24(21)28/h1-10,17-18,29H,11-16H2	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
Shanghai Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from recombinant human 5-HT1A receptor expressed in HEK293 cell membranes after 60 mins by TopCount scintillation count...				Eur J Med Chem 144: 701-715 (2018) Article DOI: 10.1016/j.ejmech.2017.12.063 BindingDB Entry DOI: 10.7270/Q26D5WP7
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50464859 (CHEMBL4289361) Show SMILES Fc1cc(N2CCN(CCc3coc4ccccc34)CC2)c2ncccc2c1 Show InChI InChI=1S/C23H22FN3O/c24-19-14-17-4-3-8-25-23(17)21(15-19)27-12-10-26(11-13-27)9-7-18-16-28-22-6-2-1-5-20(18)22/h1-6,8,14-16H,7,9-13H2	PDB KEGG UniProtKB/SwissProt DrugBank 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
Shanghai Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Inhibition of serotonin reuptake in SERT (unknown origin)				Eur J Med Chem 144: 701-715 (2018) Article DOI: 10.1016/j.ejmech.2017.12.063 BindingDB Entry DOI: 10.7270/Q26D5WP7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50400902 (1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...) Show SMILES Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1 Show InChI InChI=1S/C18H22N2S/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Displacement of [3H]LSD from recombinant human 5-HT7 receptor expressed in CHO cell membranes after 120 mins by TopCount scintillation counting metho...				Eur J Med Chem 144: 701-715 (2018) Article DOI: 10.1016/j.ejmech.2017.12.063 BindingDB Entry DOI: 10.7270/Q26D5WP7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50150105 (CHEMBL124069 | [2-(6-Fluoro-chroman-8-yloxy)-ethyl...) Show SMILES Fc1cc2CCCOc2c(OCCNCCCc2c[nH]c3ccc(F)cc23)c1 Show InChI InChI=1S/C22H24F2N2O2/c23-17-5-6-20-19(12-17)16(14-26-20)3-1-7-25-8-10-27-21-13-18(24)11-15-4-2-9-28-22(15)21/h5-6,11-14,25-26H,1-4,7-10H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Binding affinity to 5-HT1A receptor (unknown origin)				Eur J Med Chem 144: 701-715 (2018) Article DOI: 10.1016/j.ejmech.2017.12.063 BindingDB Entry DOI: 10.7270/Q26D5WP7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50464867 (CHEMBL4289783) Show SMILES Fc1ccc(N2CCN(CCCc3c[nH]c4ccc(F)cc34)CC2)c(c1)-c1ccccc1 Show InChI InChI=1S/C27H27F2N3/c28-22-8-10-26-24(17-22)21(19-30-26)7-4-12-31-13-15-32(16-14-31)27-11-9-23(29)18-25(27)20-5-2-1-3-6-20/h1-3,5-6,8-11,17-19,30H,4,7,12-16H2	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
Shanghai Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from recombinant human 5-HT1A receptor expressed in HEK293 cell membranes after 60 mins by TopCount scintillation count...				Eur J Med Chem 144: 701-715 (2018) Article DOI: 10.1016/j.ejmech.2017.12.063 BindingDB Entry DOI: 10.7270/Q26D5WP7
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50464867 (CHEMBL4289783) Show SMILES Fc1ccc(N2CCN(CCCc3c[nH]c4ccc(F)cc34)CC2)c(c1)-c1ccccc1 Show InChI InChI=1S/C27H27F2N3/c28-22-8-10-26-24(17-22)21(19-30-26)7-4-12-31-13-15-32(16-14-31)27-11-9-23(29)18-25(27)20-5-2-1-3-6-20/h1-3,5-6,8-11,17-19,30H,4,7,12-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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
Shanghai Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from alpha1-adrenoceptor (unknown origin) in cerebral cortex membranes after 60 mins by TopCount scintillation counting ...				Eur J Med Chem 144: 701-715 (2018) Article DOI: 10.1016/j.ejmech.2017.12.063 BindingDB Entry DOI: 10.7270/Q26D5WP7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50464865 (CHEMBL4289605) Show SMILES Fc1cccc(c1)-c1cc(F)ccc1N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1 Show InChI InChI=1S/C27H26F3N3/c28-21-5-1-3-19(15-21)25-17-23(30)7-9-27(25)33-13-11-32(12-14-33)10-2-4-20-18-31-26-8-6-22(29)16-24(20)26/h1,3,5-9,15-18,31H,2,4,10-14H2	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
Shanghai Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from recombinant human 5-HT1A receptor expressed in HEK293 cell membranes after 60 mins by TopCount scintillation count...				Eur J Med Chem 144: 701-715 (2018) Article DOI: 10.1016/j.ejmech.2017.12.063 BindingDB Entry DOI: 10.7270/Q26D5WP7
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50452372 (CHEMBL4204665) Show SMILES COc1ccccc1N1CCN(CCCN2CCOc3ccccc23)CC1 Show InChI InChI=1S/C22H29N3O2/c1-26-21-9-4-2-7-19(21)25-15-13-23(14-16-25)11-6-12-24-17-18-27-22-10-5-3-8-20(22)24/h2-5,7-10H,6,11-18H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	195	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Inhibition of serotonin reuptake in SERT (unknown origin)				Eur J Med Chem 144: 701-715 (2018) Article DOI: 10.1016/j.ejmech.2017.12.063 BindingDB Entry DOI: 10.7270/Q26D5WP7
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50400902 (1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...) Show SMILES Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1 Show InChI InChI=1S/C18H22N2S/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Inhibition of [3H]serotonin reuptake in rat brain synaptosomes SERT after 15 mins by TopCount scintillation counting method				Eur J Med Chem 144: 701-715 (2018) Article DOI: 10.1016/j.ejmech.2017.12.063 BindingDB Entry DOI: 10.7270/Q26D5WP7
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50464864 (CHEMBL4286174) Show SMILES Fc1ccc2[nH]cc(CCCN3CCN(CC3)c3ccccc3-c3ccccc3)c2c1 Show InChI InChI=1S/C27H28FN3/c28-23-12-13-26-25(19-23)22(20-29-26)9-6-14-30-15-17-31(18-16-30)27-11-5-4-10-24(27)21-7-2-1-3-8-21/h1-5,7-8,10-13,19-20,29H,6,9,14-18H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.60	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Inhibition of [3H]serotonin reuptake in rat brain synaptosomes SERT after 15 mins by TopCount scintillation counting method				Eur J Med Chem 144: 701-715 (2018) Article DOI: 10.1016/j.ejmech.2017.12.063 BindingDB Entry DOI: 10.7270/Q26D5WP7
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50464856 (CHEMBL4288120) Show SMILES Fc1cccc(c1)-c1ccc(F)cc1N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1 Show InChI InChI=1S/C27H26F3N3/c28-21-5-1-3-19(15-21)24-8-6-23(30)17-27(24)33-13-11-32(12-14-33)10-2-4-20-18-31-26-9-7-22(29)16-25(20)26/h1,3,5-9,15-18,31H,2,4,10-14H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.40	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Inhibition of [3H]serotonin reuptake in rat brain synaptosomes SERT after 15 mins by TopCount scintillation counting method				Eur J Med Chem 144: 701-715 (2018) Article DOI: 10.1016/j.ejmech.2017.12.063 BindingDB Entry DOI: 10.7270/Q26D5WP7
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50464857 (CHEMBL4277476) Show SMILES Fc1cccc(c1)-c1c(F)cccc1N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1 Show InChI InChI=1S/C27H26F3N3/c28-21-6-1-4-19(16-21)27-24(30)7-2-8-26(27)33-14-12-32(13-15-33)11-3-5-20-18-31-25-10-9-22(29)17-23(20)25/h1-2,4,6-10,16-18,31H,3,5,11-15H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Inhibition of [3H]serotonin reuptake in rat brain synaptosomes SERT after 15 mins by TopCount scintillation counting method				Eur J Med Chem 144: 701-715 (2018) Article DOI: 10.1016/j.ejmech.2017.12.063 BindingDB Entry DOI: 10.7270/Q26D5WP7
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50464867 (CHEMBL4289783) Show SMILES Fc1ccc(N2CCN(CCCc3c[nH]c4ccc(F)cc34)CC2)c(c1)-c1ccccc1 Show InChI InChI=1S/C27H27F2N3/c28-22-8-10-26-24(17-22)21(19-30-26)7-4-12-31-13-15-32(16-14-31)27-11-9-23(29)18-25(27)20-5-2-1-3-6-20/h1-3,5-6,8-11,17-19,30H,4,7,12-16H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Inhibition of [3H]serotonin reuptake in rat brain synaptosomes SERT after 15 mins by TopCount scintillation counting method				Eur J Med Chem 144: 701-715 (2018) Article DOI: 10.1016/j.ejmech.2017.12.063 BindingDB Entry DOI: 10.7270/Q26D5WP7
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50464865 (CHEMBL4289605) Show SMILES Fc1cccc(c1)-c1cc(F)ccc1N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1 Show InChI InChI=1S/C27H26F3N3/c28-21-5-1-3-19(15-21)25-17-23(30)7-9-27(25)33-13-11-32(12-14-33)10-2-4-20-18-31-26-8-6-22(29)16-24(20)26/h1,3,5-9,15-18,31H,2,4,10-14H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Inhibition of [3H]serotonin reuptake in rat brain synaptosomes SERT after 15 mins by TopCount scintillation counting method				Eur J Med Chem 144: 701-715 (2018) Article DOI: 10.1016/j.ejmech.2017.12.063 BindingDB Entry DOI: 10.7270/Q26D5WP7
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50464866 (CHEMBL4278933) Show SMILES Fc1cccc(c1)-c1ccccc1N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1 Show InChI InChI=1S/C27H27F2N3/c28-22-7-3-5-20(17-22)24-8-1-2-9-27(24)32-15-13-31(14-16-32)12-4-6-21-19-30-26-11-10-23(29)18-25(21)26/h1-3,5,7-11,17-19,30H,4,6,12-16H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Inhibition of [3H]serotonin reuptake in rat brain synaptosomes SERT after 15 mins by TopCount scintillation counting method				Eur J Med Chem 144: 701-715 (2018) Article DOI: 10.1016/j.ejmech.2017.12.063 BindingDB Entry DOI: 10.7270/Q26D5WP7
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50464858 (CHEMBL4294077) Show SMILES Fc1ccc2[nH]cc(CCN3CCN(CC3)c3ccccc3-c3ccccc3F)c2c1 Show InChI InChI=1S/C26H25F2N3/c27-20-9-10-25-23(17-20)19(18-29-25)11-12-30-13-15-31(16-14-30)26-8-4-2-6-22(26)21-5-1-3-7-24(21)28/h1-10,17-18,29H,11-16H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	96	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Inhibition of [3H]serotonin reuptake in rat brain synaptosomes SERT after 15 mins by TopCount scintillation counting method				Eur J Med Chem 144: 701-715 (2018) Article DOI: 10.1016/j.ejmech.2017.12.063 BindingDB Entry DOI: 10.7270/Q26D5WP7
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50464861 (CHEMBL4291322) Show SMILES Fc1ccc2[nH]cc(CCN3CCN(CC3)c3ccccc3-c3ccccc3)c2c1 Show InChI InChI=1S/C26H26FN3/c27-22-10-11-25-24(18-22)21(19-28-25)12-13-29-14-16-30(17-15-29)26-9-5-4-8-23(26)20-6-2-1-3-7-20/h1-11,18-19,28H,12-17H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Inhibition of [3H]serotonin reuptake in rat brain synaptosomes SERT after 15 mins by TopCount scintillation counting method				Eur J Med Chem 144: 701-715 (2018) Article DOI: 10.1016/j.ejmech.2017.12.063 BindingDB Entry DOI: 10.7270/Q26D5WP7
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50464870 (CHEMBL4279099) Show SMILES Fc1cccc(c1)-c1cc(F)ccc1N1CCN(CCCCc2c[nH]c3ccc(F)cc23)CC1 Show InChI InChI=1S/C28H28F3N3/c29-22-6-3-5-20(16-22)26-18-24(31)8-10-28(26)34-14-12-33(13-15-34)11-2-1-4-21-19-32-27-9-7-23(30)17-25(21)27/h3,5-10,16-19,32H,1-2,4,11-15H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Inhibition of [3H]serotonin reuptake in rat brain synaptosomes SERT after 15 mins by TopCount scintillation counting method				Eur J Med Chem 144: 701-715 (2018) Article DOI: 10.1016/j.ejmech.2017.12.063 BindingDB Entry DOI: 10.7270/Q26D5WP7
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50464863 (CHEMBL4285796) Show SMILES Fc1cccc(c1)-c1ccccc1N1CCN(CCc2c[nH]c3ccc(F)cc23)CC1 Show InChI InChI=1S/C26H25F2N3/c27-21-5-3-4-19(16-21)23-6-1-2-7-26(23)31-14-12-30(13-15-31)11-10-20-18-29-25-9-8-22(28)17-24(20)25/h1-9,16-18,29H,10-15H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Inhibition of [3H]serotonin reuptake in rat brain synaptosomes SERT after 15 mins by TopCount scintillation counting method				Eur J Med Chem 144: 701-715 (2018) Article DOI: 10.1016/j.ejmech.2017.12.063 BindingDB Entry DOI: 10.7270/Q26D5WP7
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50464868 (CHEMBL4277854) Show SMILES Cc1cccc(c1)-c1ccccc1N1CCN(CCc2c[nH]c3ccc(F)cc23)CC1 Show InChI InChI=1S/C27H28FN3/c1-20-5-4-6-21(17-20)24-7-2-3-8-27(24)31-15-13-30(14-16-31)12-11-22-19-29-26-10-9-23(28)18-25(22)26/h2-10,17-19,29H,11-16H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Inhibition of [3H]serotonin reuptake in rat brain synaptosomes SERT after 15 mins by TopCount scintillation counting method				Eur J Med Chem 144: 701-715 (2018) Article DOI: 10.1016/j.ejmech.2017.12.063 BindingDB Entry DOI: 10.7270/Q26D5WP7
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50464855 (CHEMBL4283479) Show SMILES N#Cc1ccc2[nH]cc(CCN3CCN(CC3)c3ccccc3-c3ccccc3)c2c1 Show InChI InChI=1S/C27H26N4/c28-19-21-10-11-26-25(18-21)23(20-29-26)12-13-30-14-16-31(17-15-30)27-9-5-4-8-24(27)22-6-2-1-3-7-22/h1-11,18,20,29H,12-17H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Inhibition of [3H]serotonin reuptake in rat brain synaptosomes SERT after 15 mins by TopCount scintillation counting method				Eur J Med Chem 144: 701-715 (2018) Article DOI: 10.1016/j.ejmech.2017.12.063 BindingDB Entry DOI: 10.7270/Q26D5WP7
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50464871 (CHEMBL4279592) Show SMILES C(Cc1coc2ccccc12)N1CCN(CC1)c1ccccc1-c1ccccc1 Show InChI InChI=1S/C26H26N2O/c1-2-8-21(9-3-1)23-10-4-6-12-25(23)28-18-16-27(17-19-28)15-14-22-20-29-26-13-7-5-11-24(22)26/h1-13,20H,14-19H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Inhibition of [3H]serotonin reuptake in rat brain synaptosomes SERT after 15 mins by TopCount scintillation counting method				Eur J Med Chem 144: 701-715 (2018) Article DOI: 10.1016/j.ejmech.2017.12.063 BindingDB Entry DOI: 10.7270/Q26D5WP7
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50464862 (CHEMBL4288753) Show SMILES Fc1ccc(cc1)-c1ccccc1N1CCN(CCc2c[nH]c3ccc(F)cc23)CC1 Show InChI InChI=1S/C26H25F2N3/c27-21-7-5-19(6-8-21)23-3-1-2-4-26(23)31-15-13-30(14-16-31)12-11-20-18-29-25-10-9-22(28)17-24(20)25/h1-10,17-18,29H,11-16H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	590	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Inhibition of [3H]serotonin reuptake in rat brain synaptosomes SERT after 15 mins by TopCount scintillation counting method				Eur J Med Chem 144: 701-715 (2018) Article DOI: 10.1016/j.ejmech.2017.12.063 BindingDB Entry DOI: 10.7270/Q26D5WP7
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50464869 (CHEMBL4278094) Show SMILES Cc1ccc(cc1)-c1ccccc1N1CCN(CCc2c[nH]c3ccc(F)cc23)CC1 Show InChI InChI=1S/C27H28FN3/c1-20-6-8-21(9-7-20)24-4-2-3-5-27(24)31-16-14-30(15-17-31)13-12-22-19-29-26-11-10-23(28)18-25(22)26/h2-11,18-19,29H,12-17H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Inhibition of [3H]serotonin reuptake in rat brain synaptosomes SERT after 15 mins by TopCount scintillation counting method				Eur J Med Chem 144: 701-715 (2018) Article DOI: 10.1016/j.ejmech.2017.12.063 BindingDB Entry DOI: 10.7270/Q26D5WP7
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50464860 (CHEMBL4294729) Show SMILES C(Cc1cc2ccccc2o1)N1CCN(CC1)c1ccccc1-c1ccccc1 Show InChI InChI=1S/C26H26N2O/c1-2-8-21(9-3-1)24-11-5-6-12-25(24)28-18-16-27(17-19-28)15-14-23-20-22-10-4-7-13-26(22)29-23/h1-13,20H,14-19H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Inhibition of [3H]serotonin reuptake in rat brain synaptosomes SERT after 15 mins by TopCount scintillation counting method				Eur J Med Chem 144: 701-715 (2018) Article DOI: 10.1016/j.ejmech.2017.12.063 BindingDB Entry DOI: 10.7270/Q26D5WP7
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50464867 (CHEMBL4289783) Show SMILES Fc1ccc(N2CCN(CCCc3c[nH]c4ccc(F)cc34)CC2)c(c1)-c1ccccc1 Show InChI InChI=1S/C27H27F2N3/c28-22-8-10-26-24(17-22)21(19-30-26)7-4-12-31-13-15-32(16-14-31)27-11-9-23(29)18-25(27)20-5-2-1-3-6-20/h1-3,5-6,8-11,17-19,30H,4,7,12-16H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.67E+4	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in CHO-K1 cells assessed as reduction in tail current amplitude at -80 mV holding potential after 2 mins by path cl...				Eur J Med Chem 144: 701-715 (2018) Article DOI: 10.1016/j.ejmech.2017.12.063 BindingDB Entry DOI: 10.7270/Q26D5WP7
					More data for this Ligand-Target Pair