Compile Data Set for Download or QSAR

Found 193 hits Enz. Inhib. hit(s) with all data for entry = 50000688   

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))	BDBM50258433 (CHEMBL4062817) Show SMILES Fc1ccc2[nH]cc(C3=CCN(CCCCNS(=O)(=O)c4ccc5ccccc5c4)CC3)c2c1 |t:8| Show InChI InChI=1S/C27H28FN3O2S/c28-23-8-10-27-25(18-23)26(19-29-27)21-11-15-31(16-12-21)14-4-3-13-30-34(32,33)24-9-7-20-5-1-2-6-22(20)17-24/h1-2,5-11,17-19,29-30H,3-4,12-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Faculty of Pharmacy, Jagiellonian University Medical College , 9 Medyczna Street, 30-688 Kraków, Poland. Curated by ChEMBL					Assay Description Displacement of [3H]-methylspiperone from human D2 receptor expressed in CHO-K1 cells after 60 mins by scintillation counting				J Med Chem 60: 7483-7501 (2017) Article DOI: 10.1021/acs.jmedchem.7b00839 BindingDB Entry DOI: 10.7270/Q2K939ZD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50258402 (CHEMBL4065568) Show SMILES Cc1cccc(c1)S(=O)(=O)NCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:17| Show InChI InChI=1S/C22H24ClN3O2S/c1-16-3-2-4-19(13-16)29(27,28)25-9-12-26-10-7-17(8-11-26)21-15-24-22-6-5-18(23)14-20(21)22/h2-7,13-15,24-25H,8-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Faculty of Pharmacy, Jagiellonian University Medical College , 9 Medyczna Street, 30-688 Kraków, Poland. Curated by ChEMBL					Assay Description Displacement of [3H]-LSD from human 5-HT7 receptor expressed in CHO-K1 cell membranes after 120 mins by scintillation counting				J Med Chem 60: 7483-7501 (2017) Article DOI: 10.1021/acs.jmedchem.7b00839 BindingDB Entry DOI: 10.7270/Q2K939ZD
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50258409 (CHEMBL4092243) Show SMILES Fc1ccc2[nH]cc(C3=CCN(CCCNS(=O)(=O)c4ccc5ccccc5c4)CC3)c2c1 |t:8| Show InChI InChI=1S/C26H26FN3O2S/c27-22-7-9-26-24(17-22)25(18-28-26)20-10-14-30(15-11-20)13-3-12-29-33(31,32)23-8-6-19-4-1-2-5-21(19)16-23/h1-2,4-10,16-18,28-29H,3,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Faculty of Pharmacy, Jagiellonian University Medical College , 9 Medyczna Street, 30-688 Kraków, Poland. Curated by ChEMBL					Assay Description Displacement of [3H]-methylspiperone from human D2 receptor expressed in CHO-K1 cells after 60 mins by scintillation counting				J Med Chem 60: 7483-7501 (2017) Article DOI: 10.1021/acs.jmedchem.7b00839 BindingDB Entry DOI: 10.7270/Q2K939ZD
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	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 DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Faculty of Pharmacy, Jagiellonian University Medical College , 9 Medyczna Street, 30-688 Kraków, Poland. Curated by ChEMBL					Assay Description Displacement of [3H]-imipramine from human serotonin transporter expressed in HEK-293 cell membranes after 30 mins by scintillation counting				J Med Chem 60: 7483-7501 (2017) Article DOI: 10.1021/acs.jmedchem.7b00839 BindingDB Entry DOI: 10.7270/Q2K939ZD
					More data for this Ligand-Target Pair				3D Structure (crystal)
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50258463 (CHEMBL4070254) Show SMILES Clc1cccc(c1)S(=O)(=O)NCCCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:19| Show InChI InChI=1S/C23H25Cl2N3O2S/c24-18-4-3-5-20(14-18)31(29,30)27-10-1-2-11-28-12-8-17(9-13-28)22-16-26-23-7-6-19(25)15-21(22)23/h3-8,14-16,26-27H,1-2,9-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Faculty of Pharmacy, Jagiellonian University Medical College , 9 Medyczna Street, 30-688 Kraków, Poland. Curated by ChEMBL					Assay Description Displacement of [3H]-methylspiperone from human D2 receptor expressed in CHO-K1 cells after 60 mins by scintillation counting				J Med Chem 60: 7483-7501 (2017) Article DOI: 10.1021/acs.jmedchem.7b00839 BindingDB Entry DOI: 10.7270/Q2K939ZD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (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 Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Faculty of Pharmacy, Jagiellonian University Medical College , 9 Medyczna Street, 30-688 Kraków, Poland. Curated by ChEMBL					Assay Description Displacement of [3H]-LSD from human 5-HT7 receptor expressed in CHO-K1 cell membranes after 120 mins by scintillation counting				J Med Chem 60: 7483-7501 (2017) Article DOI: 10.1021/acs.jmedchem.7b00839 BindingDB Entry DOI: 10.7270/Q2K939ZD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50258454 (CHEMBL4095555) Show SMILES Fc1cccc(c1)S(=O)(=O)NCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:17| Show InChI InChI=1S/C21H21ClFN3O2S/c22-16-4-5-21-19(12-16)20(14-24-21)15-6-9-26(10-7-15)11-8-25-29(27,28)18-3-1-2-17(23)13-18/h1-6,12-14,24-25H,7-11H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Faculty of Pharmacy, Jagiellonian University Medical College , 9 Medyczna Street, 30-688 Kraków, Poland. Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in CHO-K1 cell membranes after 60 mins by scintillation counting				J Med Chem 60: 7483-7501 (2017) Article DOI: 10.1021/acs.jmedchem.7b00839 BindingDB Entry DOI: 10.7270/Q2K939ZD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (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 Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Faculty of Pharmacy, Jagiellonian University Medical College , 9 Medyczna Street, 30-688 Kraków, Poland. Curated by ChEMBL					Assay Description Displacement of [3H]-LSD from human 5-HT6 receptor expressed in CHO-K1 cell membranes after 60 mins by scintillation counting				J Med Chem 60: 7483-7501 (2017) Article DOI: 10.1021/acs.jmedchem.7b00839 BindingDB Entry DOI: 10.7270/Q2K939ZD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50258490 (CHEMBL4104622) Show SMILES Oc1cccc(c1)S(=O)(=O)NCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:17| Show InChI InChI=1S/C21H22ClN3O3S/c22-16-4-5-21-19(12-16)20(14-23-21)15-6-9-25(10-7-15)11-8-24-29(27,28)18-3-1-2-17(26)13-18/h1-6,12-14,23-24,26H,7-11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Faculty of Pharmacy, Jagiellonian University Medical College , 9 Medyczna Street, 30-688 Kraków, Poland. Curated by ChEMBL					Assay Description Displacement of [3H]-LSD from human 5-HT7 receptor expressed in CHO-K1 cell membranes after 120 mins by scintillation counting				J Med Chem 60: 7483-7501 (2017) Article DOI: 10.1021/acs.jmedchem.7b00839 BindingDB Entry DOI: 10.7270/Q2K939ZD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50258491 (CHEMBL4088249) Show SMILES Fc1ccc(cc1)S(=O)(=O)NCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:17| Show InChI InChI=1S/C21H21ClFN3O2S/c22-16-1-6-21-19(13-16)20(14-24-21)15-7-10-26(11-8-15)12-9-25-29(27,28)18-4-2-17(23)3-5-18/h1-7,13-14,24-25H,8-12H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Faculty of Pharmacy, Jagiellonian University Medical College , 9 Medyczna Street, 30-688 Kraków, Poland. Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in CHO-K1 cell membranes after 60 mins by scintillation counting				J Med Chem 60: 7483-7501 (2017) Article DOI: 10.1021/acs.jmedchem.7b00839 BindingDB Entry DOI: 10.7270/Q2K939ZD
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50258455 (CHEMBL4075144) Show SMILES Fc1cccc(c1)S(=O)(=O)NCCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:18| Show InChI InChI=1S/C22H23ClFN3O2S/c23-17-5-6-22-20(13-17)21(15-25-22)16-7-11-27(12-8-16)10-2-9-26-30(28,29)19-4-1-3-18(24)14-19/h1,3-7,13-15,25-26H,2,8-12H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Faculty of Pharmacy, Jagiellonian University Medical College , 9 Medyczna Street, 30-688 Kraków, Poland. Curated by ChEMBL					Assay Description Displacement of [3H]-imipramine from human serotonin transporter expressed in HEK-293 cell membranes after 30 mins by scintillation counting				J Med Chem 60: 7483-7501 (2017) Article DOI: 10.1021/acs.jmedchem.7b00839 BindingDB Entry DOI: 10.7270/Q2K939ZD
					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	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Faculty of Pharmacy, Jagiellonian University Medical College , 9 Medyczna Street, 30-688 Kraków, Poland. Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in CHO-K1 cell membranes after 60 mins by scintillation counting				J Med Chem 60: 7483-7501 (2017) Article DOI: 10.1021/acs.jmedchem.7b00839 BindingDB Entry DOI: 10.7270/Q2K939ZD
					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	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Faculty of Pharmacy, Jagiellonian University Medical College , 9 Medyczna Street, 30-688 Kraków, Poland. Curated by ChEMBL					Assay Description Displacement of [3H]-methylspiperone from human D2 receptor expressed in CHO-K1 cells after 60 mins by scintillation counting				J Med Chem 60: 7483-7501 (2017) Article DOI: 10.1021/acs.jmedchem.7b00839 BindingDB Entry DOI: 10.7270/Q2K939ZD
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50258490 (CHEMBL4104622) Show SMILES Oc1cccc(c1)S(=O)(=O)NCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:17| Show InChI InChI=1S/C21H22ClN3O3S/c22-16-4-5-21-19(12-16)20(14-23-21)15-6-9-25(10-7-15)11-8-24-29(27,28)18-3-1-2-17(26)13-18/h1-6,12-14,23-24,26H,7-11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Faculty of Pharmacy, Jagiellonian University Medical College , 9 Medyczna Street, 30-688 Kraków, Poland. Curated by ChEMBL					Assay Description Displacement of [3H]-methylspiperone from human D2 receptor expressed in CHO-K1 cells after 60 mins by scintillation counting				J Med Chem 60: 7483-7501 (2017) Article DOI: 10.1021/acs.jmedchem.7b00839 BindingDB Entry DOI: 10.7270/Q2K939ZD
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50258455 (CHEMBL4075144) Show SMILES Fc1cccc(c1)S(=O)(=O)NCCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:18| Show InChI InChI=1S/C22H23ClFN3O2S/c23-17-5-6-22-20(13-17)21(15-25-22)16-7-11-27(12-8-16)10-2-9-26-30(28,29)19-4-1-3-18(24)14-19/h1,3-7,13-15,25-26H,2,8-12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Faculty of Pharmacy, Jagiellonian University Medical College , 9 Medyczna Street, 30-688 Kraków, Poland. Curated by ChEMBL					Assay Description Displacement of [3H]-methylspiperone from human D2 receptor expressed in CHO-K1 cells after 60 mins by scintillation counting				J Med Chem 60: 7483-7501 (2017) Article DOI: 10.1021/acs.jmedchem.7b00839 BindingDB Entry DOI: 10.7270/Q2K939ZD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50258463 (CHEMBL4070254) Show SMILES Clc1cccc(c1)S(=O)(=O)NCCCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:19| Show InChI InChI=1S/C23H25Cl2N3O2S/c24-18-4-3-5-20(14-18)31(29,30)27-10-1-2-11-28-12-8-17(9-13-28)22-16-26-23-7-6-19(25)15-21(22)23/h3-8,14-16,26-27H,1-2,9-13H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Faculty of Pharmacy, Jagiellonian University Medical College , 9 Medyczna Street, 30-688 Kraków, Poland. Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in CHO-K1 cell membranes after 60 mins by scintillation counting				J Med Chem 60: 7483-7501 (2017) Article DOI: 10.1021/acs.jmedchem.7b00839 BindingDB Entry DOI: 10.7270/Q2K939ZD
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50258470 (CHEMBL4071451) Show SMILES Fc1ccc2[nH]cc(C3=CCN(CCNS(=O)(=O)c4ccc5ccccc5c4)CC3)c2c1 |t:8| Show InChI InChI=1S/C25H24FN3O2S/c26-21-6-8-25-23(16-21)24(17-27-25)19-9-12-29(13-10-19)14-11-28-32(30,31)22-7-5-18-3-1-2-4-20(18)15-22/h1-9,15-17,27-28H,10-14H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Faculty of Pharmacy, Jagiellonian University Medical College , 9 Medyczna Street, 30-688 Kraków, Poland. Curated by ChEMBL					Assay Description Displacement of [3H]-imipramine from human serotonin transporter expressed in HEK-293 cell membranes after 30 mins by scintillation counting				J Med Chem 60: 7483-7501 (2017) Article DOI: 10.1021/acs.jmedchem.7b00839 BindingDB Entry DOI: 10.7270/Q2K939ZD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50258402 (CHEMBL4065568) Show SMILES Cc1cccc(c1)S(=O)(=O)NCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:17| Show InChI InChI=1S/C22H24ClN3O2S/c1-16-3-2-4-19(13-16)29(27,28)25-9-12-26-10-7-17(8-11-26)21-15-24-22-6-5-18(23)14-20(21)22/h2-7,13-15,24-25H,8-12H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Faculty of Pharmacy, Jagiellonian University Medical College , 9 Medyczna Street, 30-688 Kraków, Poland. Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in CHO-K1 cell membranes after 60 mins by scintillation counting				J Med Chem 60: 7483-7501 (2017) Article DOI: 10.1021/acs.jmedchem.7b00839 BindingDB Entry DOI: 10.7270/Q2K939ZD
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50258489 (CHEMBL4087852) Show SMILES Fc1cccc(c1)S(=O)(=O)NCCCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:19| Show InChI InChI=1S/C23H25ClFN3O2S/c24-18-6-7-23-21(14-18)22(16-26-23)17-8-12-28(13-9-17)11-2-1-10-27-31(29,30)20-5-3-4-19(25)15-20/h3-8,14-16,26-27H,1-2,9-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Faculty of Pharmacy, Jagiellonian University Medical College , 9 Medyczna Street, 30-688 Kraków, Poland. Curated by ChEMBL					Assay Description Displacement of [3H]-methylspiperone from human D2 receptor expressed in CHO-K1 cells after 60 mins by scintillation counting				J Med Chem 60: 7483-7501 (2017) Article DOI: 10.1021/acs.jmedchem.7b00839 BindingDB Entry DOI: 10.7270/Q2K939ZD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50258464 (CHEMBL4080399) Show SMILES Oc1cccc(c1)S(=O)(=O)NCCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:18| Show InChI InChI=1S/C22H24ClN3O3S/c23-17-5-6-22-20(13-17)21(15-24-22)16-7-11-26(12-8-16)10-2-9-25-30(28,29)19-4-1-3-18(27)14-19/h1,3-7,13-15,24-25,27H,2,8-12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Faculty of Pharmacy, Jagiellonian University Medical College , 9 Medyczna Street, 30-688 Kraków, Poland. Curated by ChEMBL					Assay Description Displacement of [3H]-LSD from human 5-HT7 receptor expressed in CHO-K1 cell membranes after 120 mins by scintillation counting				J Med Chem 60: 7483-7501 (2017) Article DOI: 10.1021/acs.jmedchem.7b00839 BindingDB Entry DOI: 10.7270/Q2K939ZD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50258454 (CHEMBL4095555) Show SMILES Fc1cccc(c1)S(=O)(=O)NCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:17| Show InChI InChI=1S/C21H21ClFN3O2S/c22-16-4-5-21-19(12-16)20(14-24-21)15-6-9-26(10-7-15)11-8-25-29(27,28)18-3-1-2-17(23)13-18/h1-6,12-14,24-25H,7-11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Faculty of Pharmacy, Jagiellonian University Medical College , 9 Medyczna Street, 30-688 Kraków, Poland. Curated by ChEMBL					Assay Description Displacement of [3H]-LSD from human 5-HT7 receptor expressed in CHO-K1 cell membranes after 120 mins by scintillation counting				J Med Chem 60: 7483-7501 (2017) Article DOI: 10.1021/acs.jmedchem.7b00839 BindingDB Entry DOI: 10.7270/Q2K939ZD
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50258490 (CHEMBL4104622) Show SMILES Oc1cccc(c1)S(=O)(=O)NCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:17| Show InChI InChI=1S/C21H22ClN3O3S/c22-16-4-5-21-19(12-16)20(14-23-21)15-6-9-25(10-7-15)11-8-24-29(27,28)18-3-1-2-17(26)13-18/h1-6,12-14,23-24,26H,7-11H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Faculty of Pharmacy, Jagiellonian University Medical College , 9 Medyczna Street, 30-688 Kraków, Poland. Curated by ChEMBL					Assay Description Displacement of [3H]-imipramine from human serotonin transporter expressed in HEK-293 cell membranes after 30 mins by scintillation counting				J Med Chem 60: 7483-7501 (2017) Article DOI: 10.1021/acs.jmedchem.7b00839 BindingDB Entry DOI: 10.7270/Q2K939ZD
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50258488 (CHEMBL4096479) Show SMILES Clc1ccc2[nH]cc(C3=CCN(CCCCNS(=O)(=O)c4cccc5ccccc45)CC3)c2c1 |t:8| Show InChI InChI=1S/C27H28ClN3O2S/c28-22-10-11-26-24(18-22)25(19-29-26)21-12-16-31(17-13-21)15-4-3-14-30-34(32,33)27-9-5-7-20-6-1-2-8-23(20)27/h1-2,5-12,18-19,29-30H,3-4,13-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Faculty of Pharmacy, Jagiellonian University Medical College , 9 Medyczna Street, 30-688 Kraków, Poland. Curated by ChEMBL					Assay Description Displacement of [3H]-methylspiperone from human D2 receptor expressed in CHO-K1 cells after 60 mins by scintillation counting				J Med Chem 60: 7483-7501 (2017) Article DOI: 10.1021/acs.jmedchem.7b00839 BindingDB Entry DOI: 10.7270/Q2K939ZD
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50258468 (CHEMBL4075673) Show SMILES Cc1cccc(c1)S(=O)(=O)NCCCCN1CCC(=CC1)c1c[nH]c2ccc(F)cc12 |c:19| Show InChI InChI=1S/C24H28FN3O2S/c1-18-5-4-6-21(15-18)31(29,30)27-11-2-3-12-28-13-9-19(10-14-28)23-17-26-24-8-7-20(25)16-22(23)24/h4-9,15-17,26-27H,2-3,10-14H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Faculty of Pharmacy, Jagiellonian University Medical College , 9 Medyczna Street, 30-688 Kraków, Poland. Curated by ChEMBL					Assay Description Displacement of [3H]-imipramine from human serotonin transporter expressed in HEK-293 cell membranes after 30 mins by scintillation counting				J Med Chem 60: 7483-7501 (2017) Article DOI: 10.1021/acs.jmedchem.7b00839 BindingDB Entry DOI: 10.7270/Q2K939ZD
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50258457 (CHEMBL4091193) Show SMILES Clc1cccc(c1)S(=O)(=O)NCCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:18| Show InChI InChI=1S/C22H23Cl2N3O2S/c23-17-3-1-4-19(13-17)30(28,29)26-9-2-10-27-11-7-16(8-12-27)21-15-25-22-6-5-18(24)14-20(21)22/h1,3-7,13-15,25-26H,2,8-12H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Faculty of Pharmacy, Jagiellonian University Medical College , 9 Medyczna Street, 30-688 Kraków, Poland. Curated by ChEMBL					Assay Description Displacement of [3H]-imipramine from human serotonin transporter expressed in HEK-293 cell membranes after 30 mins by scintillation counting				J Med Chem 60: 7483-7501 (2017) Article DOI: 10.1021/acs.jmedchem.7b00839 BindingDB Entry DOI: 10.7270/Q2K939ZD
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50258454 (CHEMBL4095555) Show SMILES Fc1cccc(c1)S(=O)(=O)NCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:17| Show InChI InChI=1S/C21H21ClFN3O2S/c22-16-4-5-21-19(12-16)20(14-24-21)15-6-9-26(10-7-15)11-8-25-29(27,28)18-3-1-2-17(23)13-18/h1-6,12-14,24-25H,7-11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Faculty of Pharmacy, Jagiellonian University Medical College , 9 Medyczna Street, 30-688 Kraków, Poland. Curated by ChEMBL					Assay Description Displacement of [3H]-methylspiperone from human D2 receptor expressed in CHO-K1 cells after 60 mins by scintillation counting				J Med Chem 60: 7483-7501 (2017) Article DOI: 10.1021/acs.jmedchem.7b00839 BindingDB Entry DOI: 10.7270/Q2K939ZD
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50258469 (CHEMBL4080369) Show SMILES Cc1cccc(c1)S(=O)(=O)NCCCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:19| Show InChI InChI=1S/C24H28ClN3O2S/c1-18-5-4-6-21(15-18)31(29,30)27-11-2-3-12-28-13-9-19(10-14-28)23-17-26-24-8-7-20(25)16-22(23)24/h4-9,15-17,26-27H,2-3,10-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Faculty of Pharmacy, Jagiellonian University Medical College , 9 Medyczna Street, 30-688 Kraków, Poland. Curated by ChEMBL					Assay Description Displacement of [3H]-methylspiperone from human D2 receptor expressed in CHO-K1 cells after 60 mins by scintillation counting				J Med Chem 60: 7483-7501 (2017) Article DOI: 10.1021/acs.jmedchem.7b00839 BindingDB Entry DOI: 10.7270/Q2K939ZD
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50258465 (CHEMBL4066971) Show SMILES Oc1cccc(c1)S(=O)(=O)NCCCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:19| Show InChI InChI=1S/C23H26ClN3O3S/c24-18-6-7-23-21(14-18)22(16-25-23)17-8-12-27(13-9-17)11-2-1-10-26-31(29,30)20-5-3-4-19(28)15-20/h3-8,14-16,25-26,28H,1-2,9-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Faculty of Pharmacy, Jagiellonian University Medical College , 9 Medyczna Street, 30-688 Kraków, Poland. Curated by ChEMBL					Assay Description Displacement of [3H]-methylspiperone from human D2 receptor expressed in CHO-K1 cells after 60 mins by scintillation counting				J Med Chem 60: 7483-7501 (2017) Article DOI: 10.1021/acs.jmedchem.7b00839 BindingDB Entry DOI: 10.7270/Q2K939ZD
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50258435 (CHEMBL4074195) Show SMILES Clc1ccc2[nH]cc(C3=CCN(CCCCNS(=O)(=O)c4ccc5ccccc5c4)CC3)c2c1 |t:8| Show InChI InChI=1S/C27H28ClN3O2S/c28-23-8-10-27-25(18-23)26(19-29-27)21-11-15-31(16-12-21)14-4-3-13-30-34(32,33)24-9-7-20-5-1-2-6-22(20)17-24/h1-2,5-11,17-19,29-30H,3-4,12-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Faculty of Pharmacy, Jagiellonian University Medical College , 9 Medyczna Street, 30-688 Kraków, Poland. Curated by ChEMBL					Assay Description Displacement of [3H]-methylspiperone from human D2 receptor expressed in CHO-K1 cells after 60 mins by scintillation counting				J Med Chem 60: 7483-7501 (2017) Article DOI: 10.1021/acs.jmedchem.7b00839 BindingDB Entry DOI: 10.7270/Q2K939ZD
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50258409 (CHEMBL4092243) Show SMILES Fc1ccc2[nH]cc(C3=CCN(CCCNS(=O)(=O)c4ccc5ccccc5c4)CC3)c2c1 |t:8| Show InChI InChI=1S/C26H26FN3O2S/c27-22-7-9-26-24(17-22)25(18-28-26)20-10-14-30(15-11-20)13-3-12-29-33(31,32)23-8-6-19-4-1-2-5-21(19)16-23/h1-2,4-10,16-18,28-29H,3,11-15H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Faculty of Pharmacy, Jagiellonian University Medical College , 9 Medyczna Street, 30-688 Kraków, Poland. Curated by ChEMBL					Assay Description Displacement of [3H]-imipramine from human serotonin transporter expressed in HEK-293 cell membranes after 30 mins by scintillation counting				J Med Chem 60: 7483-7501 (2017) Article DOI: 10.1021/acs.jmedchem.7b00839 BindingDB Entry DOI: 10.7270/Q2K939ZD
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50258464 (CHEMBL4080399) Show SMILES Oc1cccc(c1)S(=O)(=O)NCCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:18| Show InChI InChI=1S/C22H24ClN3O3S/c23-17-5-6-22-20(13-17)21(15-24-22)16-7-11-26(12-8-16)10-2-9-25-30(28,29)19-4-1-3-18(27)14-19/h1,3-7,13-15,24-25,27H,2,8-12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Faculty of Pharmacy, Jagiellonian University Medical College , 9 Medyczna Street, 30-688 Kraków, Poland. Curated by ChEMBL					Assay Description Displacement of [3H]-methylspiperone from human D2 receptor expressed in CHO-K1 cells after 60 mins by scintillation counting				J Med Chem 60: 7483-7501 (2017) Article DOI: 10.1021/acs.jmedchem.7b00839 BindingDB Entry DOI: 10.7270/Q2K939ZD
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50258399 (CHEMBL4103725) Show SMILES Clc1ccc(cc1)S(=O)(=O)NCCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:18| Show InChI InChI=1S/C22H23Cl2N3O2S/c23-17-2-5-19(6-3-17)30(28,29)26-10-1-11-27-12-8-16(9-13-27)21-15-25-22-7-4-18(24)14-20(21)22/h2-8,14-15,25-26H,1,9-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Faculty of Pharmacy, Jagiellonian University Medical College , 9 Medyczna Street, 30-688 Kraków, Poland. Curated by ChEMBL					Assay Description Displacement of [3H]-methylspiperone from human D2 receptor expressed in CHO-K1 cells after 60 mins by scintillation counting				J Med Chem 60: 7483-7501 (2017) Article DOI: 10.1021/acs.jmedchem.7b00839 BindingDB Entry DOI: 10.7270/Q2K939ZD
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50258471 (CHEMBL4084492) Show SMILES Clc1ccc2[nH]cc(C3=CCN(CCNS(=O)(=O)c4ccc5ccccc5c4)CC3)c2c1 |t:8| Show InChI InChI=1S/C25H24ClN3O2S/c26-21-6-8-25-23(16-21)24(17-27-25)19-9-12-29(13-10-19)14-11-28-32(30,31)22-7-5-18-3-1-2-4-20(18)15-22/h1-9,15-17,27-28H,10-14H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Faculty of Pharmacy, Jagiellonian University Medical College , 9 Medyczna Street, 30-688 Kraków, Poland. Curated by ChEMBL					Assay Description Displacement of [3H]-imipramine from human serotonin transporter expressed in HEK-293 cell membranes after 30 mins by scintillation counting				J Med Chem 60: 7483-7501 (2017) Article DOI: 10.1021/acs.jmedchem.7b00839 BindingDB Entry DOI: 10.7270/Q2K939ZD
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50258442 (CHEMBL4104216) Show SMILES Clc1ccc2[nH]cc(C3=CCN(CCNS(=O)(=O)c4cccc5ccccc45)CC3)c2c1 |t:8| Show InChI InChI=1S/C25H24ClN3O2S/c26-20-8-9-24-22(16-20)23(17-27-24)19-10-13-29(14-11-19)15-12-28-32(30,31)25-7-3-5-18-4-1-2-6-21(18)25/h1-10,16-17,27-28H,11-15H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Faculty of Pharmacy, Jagiellonian University Medical College , 9 Medyczna Street, 30-688 Kraków, Poland. Curated by ChEMBL					Assay Description Displacement of [3H]-imipramine from human serotonin transporter expressed in HEK-293 cell membranes after 30 mins by scintillation counting				J Med Chem 60: 7483-7501 (2017) Article DOI: 10.1021/acs.jmedchem.7b00839 BindingDB Entry DOI: 10.7270/Q2K939ZD
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50258443 (CHEMBL4069237) Show SMILES Clc1ccc2[nH]cc(C3=CCN(CCCNS(=O)(=O)c4cccc5ccccc45)CC3)c2c1 |t:8| Show InChI InChI=1S/C26H26ClN3O2S/c27-21-9-10-25-23(17-21)24(18-28-25)20-11-15-30(16-12-20)14-4-13-29-33(31,32)26-8-3-6-19-5-1-2-7-22(19)26/h1-3,5-11,17-18,28-29H,4,12-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	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
Faculty of Pharmacy, Jagiellonian University Medical College , 9 Medyczna Street, 30-688 Kraków, Poland. Curated by ChEMBL					Assay Description Displacement of [3H]-methylspiperone from human D2 receptor expressed in CHO-K1 cells after 60 mins by scintillation counting				J Med Chem 60: 7483-7501 (2017) Article DOI: 10.1021/acs.jmedchem.7b00839 BindingDB Entry DOI: 10.7270/Q2K939ZD
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50258463 (CHEMBL4070254) Show SMILES Clc1cccc(c1)S(=O)(=O)NCCCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:19| Show InChI InChI=1S/C23H25Cl2N3O2S/c24-18-4-3-5-20(14-18)31(29,30)27-10-1-2-11-28-12-8-17(9-13-28)22-16-26-23-7-6-19(25)15-21(22)23/h3-8,14-16,26-27H,1-2,9-13H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	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
Faculty of Pharmacy, Jagiellonian University Medical College , 9 Medyczna Street, 30-688 Kraków, Poland. Curated by ChEMBL					Assay Description Displacement of [3H]-imipramine from human serotonin transporter expressed in HEK-293 cell membranes after 30 mins by scintillation counting				J Med Chem 60: 7483-7501 (2017) Article DOI: 10.1021/acs.jmedchem.7b00839 BindingDB Entry DOI: 10.7270/Q2K939ZD
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50258468 (CHEMBL4075673) Show SMILES Cc1cccc(c1)S(=O)(=O)NCCCCN1CCC(=CC1)c1c[nH]c2ccc(F)cc12 |c:19| Show InChI InChI=1S/C24H28FN3O2S/c1-18-5-4-6-21(15-18)31(29,30)27-11-2-3-12-28-13-9-19(10-14-28)23-17-26-24-8-7-20(25)16-22(23)24/h4-9,15-17,26-27H,2-3,10-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Faculty of Pharmacy, Jagiellonian University Medical College , 9 Medyczna Street, 30-688 Kraków, Poland. Curated by ChEMBL					Assay Description Displacement of [3H]-methylspiperone from human D2 receptor expressed in CHO-K1 cells after 60 mins by scintillation counting				J Med Chem 60: 7483-7501 (2017) Article DOI: 10.1021/acs.jmedchem.7b00839 BindingDB Entry DOI: 10.7270/Q2K939ZD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50258489 (CHEMBL4087852) Show SMILES Fc1cccc(c1)S(=O)(=O)NCCCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:19| Show InChI InChI=1S/C23H25ClFN3O2S/c24-18-6-7-23-21(14-18)22(16-26-23)17-8-12-28(13-9-17)11-2-1-10-27-31(29,30)20-5-3-4-19(25)15-20/h3-8,14-16,26-27H,1-2,9-13H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Faculty of Pharmacy, Jagiellonian University Medical College , 9 Medyczna Street, 30-688 Kraków, Poland. Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in CHO-K1 cell membranes after 60 mins by scintillation counting				J Med Chem 60: 7483-7501 (2017) Article DOI: 10.1021/acs.jmedchem.7b00839 BindingDB Entry DOI: 10.7270/Q2K939ZD
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50258489 (CHEMBL4087852) Show SMILES Fc1cccc(c1)S(=O)(=O)NCCCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:19| Show InChI InChI=1S/C23H25ClFN3O2S/c24-18-6-7-23-21(14-18)22(16-26-23)17-8-12-28(13-9-17)11-2-1-10-27-31(29,30)20-5-3-4-19(25)15-20/h3-8,14-16,26-27H,1-2,9-13H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Faculty of Pharmacy, Jagiellonian University Medical College , 9 Medyczna Street, 30-688 Kraków, Poland. Curated by ChEMBL					Assay Description Displacement of [3H]-imipramine from human serotonin transporter expressed in HEK-293 cell membranes after 30 mins by scintillation counting				J Med Chem 60: 7483-7501 (2017) Article DOI: 10.1021/acs.jmedchem.7b00839 BindingDB Entry DOI: 10.7270/Q2K939ZD
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50258456 (CHEMBL4066532) Show SMILES Clc1cccc(c1)S(=O)(=O)NCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:17| Show InChI InChI=1S/C21H21Cl2N3O2S/c22-16-2-1-3-18(12-16)29(27,28)25-8-11-26-9-6-15(7-10-26)20-14-24-21-5-4-17(23)13-19(20)21/h1-6,12-14,24-25H,7-11H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Faculty of Pharmacy, Jagiellonian University Medical College , 9 Medyczna Street, 30-688 Kraków, Poland. Curated by ChEMBL					Assay Description Displacement of [3H]-imipramine from human serotonin transporter expressed in HEK-293 cell membranes after 30 mins by scintillation counting				J Med Chem 60: 7483-7501 (2017) Article DOI: 10.1021/acs.jmedchem.7b00839 BindingDB Entry DOI: 10.7270/Q2K939ZD
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50258402 (CHEMBL4065568) Show SMILES Cc1cccc(c1)S(=O)(=O)NCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:17| Show InChI InChI=1S/C22H24ClN3O2S/c1-16-3-2-4-19(13-16)29(27,28)25-9-12-26-10-7-17(8-11-26)21-15-24-22-6-5-18(23)14-20(21)22/h2-7,13-15,24-25H,8-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Faculty of Pharmacy, Jagiellonian University Medical College , 9 Medyczna Street, 30-688 Kraków, Poland. Curated by ChEMBL					Assay Description Displacement of [3H]-methylspiperone from human D2 receptor expressed in CHO-K1 cells after 60 mins by scintillation counting				J Med Chem 60: 7483-7501 (2017) Article DOI: 10.1021/acs.jmedchem.7b00839 BindingDB Entry DOI: 10.7270/Q2K939ZD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50258490 (CHEMBL4104622) Show SMILES Oc1cccc(c1)S(=O)(=O)NCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:17| Show InChI InChI=1S/C21H22ClN3O3S/c22-16-4-5-21-19(12-16)20(14-23-21)15-6-9-25(10-7-15)11-8-24-29(27,28)18-3-1-2-17(26)13-18/h1-6,12-14,23-24,26H,7-11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Faculty of Pharmacy, Jagiellonian University Medical College , 9 Medyczna Street, 30-688 Kraków, Poland. Curated by ChEMBL					Assay Description Displacement of [3H]-LSD from human 5-HT6 receptor expressed in CHO-K1 cell membranes after 60 mins by scintillation counting				J Med Chem 60: 7483-7501 (2017) Article DOI: 10.1021/acs.jmedchem.7b00839 BindingDB Entry DOI: 10.7270/Q2K939ZD
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50258466 (CHEMBL4077937) Show SMILES Fc1ccc(cc1)S(=O)(=O)NCCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:18| Show InChI InChI=1S/C22H23ClFN3O2S/c23-17-2-7-22-20(14-17)21(15-25-22)16-8-12-27(13-9-16)11-1-10-26-30(28,29)19-5-3-18(24)4-6-19/h2-8,14-15,25-26H,1,9-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Faculty of Pharmacy, Jagiellonian University Medical College , 9 Medyczna Street, 30-688 Kraków, Poland. Curated by ChEMBL					Assay Description Displacement of [3H]-methylspiperone from human D2 receptor expressed in CHO-K1 cells after 60 mins by scintillation counting				J Med Chem 60: 7483-7501 (2017) Article DOI: 10.1021/acs.jmedchem.7b00839 BindingDB Entry DOI: 10.7270/Q2K939ZD
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50258464 (CHEMBL4080399) Show SMILES Oc1cccc(c1)S(=O)(=O)NCCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:18| Show InChI InChI=1S/C22H24ClN3O3S/c23-17-5-6-22-20(13-17)21(15-24-22)16-7-11-26(12-8-16)10-2-9-25-30(28,29)19-4-1-3-18(27)14-19/h1,3-7,13-15,24-25,27H,2,8-12H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Faculty of Pharmacy, Jagiellonian University Medical College , 9 Medyczna Street, 30-688 Kraków, Poland. Curated by ChEMBL					Assay Description Displacement of [3H]-imipramine from human serotonin transporter expressed in HEK-293 cell membranes after 30 mins by scintillation counting				J Med Chem 60: 7483-7501 (2017) Article DOI: 10.1021/acs.jmedchem.7b00839 BindingDB Entry DOI: 10.7270/Q2K939ZD
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50258454 (CHEMBL4095555) Show SMILES Fc1cccc(c1)S(=O)(=O)NCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:17| Show InChI InChI=1S/C21H21ClFN3O2S/c22-16-4-5-21-19(12-16)20(14-24-21)15-6-9-26(10-7-15)11-8-25-29(27,28)18-3-1-2-17(23)13-18/h1-6,12-14,24-25H,7-11H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Faculty of Pharmacy, Jagiellonian University Medical College , 9 Medyczna Street, 30-688 Kraków, Poland. Curated by ChEMBL					Assay Description Displacement of [3H]-imipramine from human serotonin transporter expressed in HEK-293 cell membranes after 30 mins by scintillation counting				J Med Chem 60: 7483-7501 (2017) Article DOI: 10.1021/acs.jmedchem.7b00839 BindingDB Entry DOI: 10.7270/Q2K939ZD
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50258434 (CHEMBL4100951) Show SMILES Clc1ccc2[nH]cc(C3=CCN(CCCNS(=O)(=O)c4ccc5ccccc5c4)CC3)c2c1 |t:8| Show InChI InChI=1S/C26H26ClN3O2S/c27-22-7-9-26-24(17-22)25(18-28-26)20-10-14-30(15-11-20)13-3-12-29-33(31,32)23-8-6-19-4-1-2-5-21(19)16-23/h1-2,4-10,16-18,28-29H,3,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Faculty of Pharmacy, Jagiellonian University Medical College , 9 Medyczna Street, 30-688 Kraków, Poland. Curated by ChEMBL					Assay Description Displacement of [3H]-methylspiperone from human D2 receptor expressed in CHO-K1 cells after 60 mins by scintillation counting				J Med Chem 60: 7483-7501 (2017) Article DOI: 10.1021/acs.jmedchem.7b00839 BindingDB Entry DOI: 10.7270/Q2K939ZD
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50258434 (CHEMBL4100951) Show SMILES Clc1ccc2[nH]cc(C3=CCN(CCCNS(=O)(=O)c4ccc5ccccc5c4)CC3)c2c1 |t:8| Show InChI InChI=1S/C26H26ClN3O2S/c27-22-7-9-26-24(17-22)25(18-28-26)20-10-14-30(15-11-20)13-3-12-29-33(31,32)23-8-6-19-4-1-2-5-21(19)16-23/h1-2,4-10,16-18,28-29H,3,11-15H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Faculty of Pharmacy, Jagiellonian University Medical College , 9 Medyczna Street, 30-688 Kraków, Poland. Curated by ChEMBL					Assay Description Displacement of [3H]-imipramine from human serotonin transporter expressed in HEK-293 cell membranes after 30 mins by scintillation counting				J Med Chem 60: 7483-7501 (2017) Article DOI: 10.1021/acs.jmedchem.7b00839 BindingDB Entry DOI: 10.7270/Q2K939ZD
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50258469 (CHEMBL4080369) Show SMILES Cc1cccc(c1)S(=O)(=O)NCCCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:19| Show InChI InChI=1S/C24H28ClN3O2S/c1-18-5-4-6-21(15-18)31(29,30)27-11-2-3-12-28-13-9-19(10-14-28)23-17-26-24-8-7-20(25)16-22(23)24/h4-9,15-17,26-27H,2-3,10-14H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Faculty of Pharmacy, Jagiellonian University Medical College , 9 Medyczna Street, 30-688 Kraków, Poland. Curated by ChEMBL					Assay Description Displacement of [3H]-imipramine from human serotonin transporter expressed in HEK-293 cell membranes after 30 mins by scintillation counting				J Med Chem 60: 7483-7501 (2017) Article DOI: 10.1021/acs.jmedchem.7b00839 BindingDB Entry DOI: 10.7270/Q2K939ZD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50258464 (CHEMBL4080399) Show SMILES Oc1cccc(c1)S(=O)(=O)NCCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:18| Show InChI InChI=1S/C22H24ClN3O3S/c23-17-5-6-22-20(13-17)21(15-24-22)16-7-11-26(12-8-16)10-2-9-25-30(28,29)19-4-1-3-18(27)14-19/h1,3-7,13-15,24-25,27H,2,8-12H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Faculty of Pharmacy, Jagiellonian University Medical College , 9 Medyczna Street, 30-688 Kraków, Poland. Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in CHO-K1 cell membranes after 60 mins by scintillation counting				J Med Chem 60: 7483-7501 (2017) Article DOI: 10.1021/acs.jmedchem.7b00839 BindingDB Entry DOI: 10.7270/Q2K939ZD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50258442 (CHEMBL4104216) Show SMILES Clc1ccc2[nH]cc(C3=CCN(CCNS(=O)(=O)c4cccc5ccccc45)CC3)c2c1 |t:8| Show InChI InChI=1S/C25H24ClN3O2S/c26-20-8-9-24-22(16-20)23(17-27-24)19-10-13-29(14-11-19)15-12-28-32(30,31)25-7-3-5-18-4-1-2-6-21(18)25/h1-10,16-17,27-28H,11-15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Faculty of Pharmacy, Jagiellonian University Medical College , 9 Medyczna Street, 30-688 Kraków, Poland. Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in CHO-K1 cell membranes after 60 mins by scintillation counting				J Med Chem 60: 7483-7501 (2017) Article DOI: 10.1021/acs.jmedchem.7b00839 BindingDB Entry DOI: 10.7270/Q2K939ZD
					More data for this Ligand-Target Pair

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