Compile Data Set for Download or QSAR

Found 400 hits with Last Name = 'grybo?' and Initial = 'a'   

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 1A (Homo sapiens (Human))	BDBM50454165 (CHEMBL4218720) Show SMILES CC(=O)c1c(OCCCN2CCN(CC2)c2ccccc2Br)ccc2c(C)cc(=O)oc12 Show InChI InChI=1S/C25H27BrN2O4/c1-17-16-23(30)32-25-19(17)8-9-22(24(25)18(2)29)31-15-5-10-27-11-13-28(14-12-27)21-7-4-3-6-20(21)26/h3-4,6-9,16H,5,10-15H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.5	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]-8-OH-DPAT from human 5-HT1A receptor expressed in CHO-K1 cell membranes after 60 mins by microbeta scintillation counting analys...				Bioorg Med Chem 26: 527-535 (2018) Article DOI: 10.1016/j.bmc.2017.12.016 BindingDB Entry DOI: 10.7270/Q2DF6TTS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50454163 (CHEMBL4215022) Show SMILES COc1ccccc1N1CCN(CCCOc2ccc3c(C)cc(=O)oc3c2C(C)=O)CC1 Show InChI InChI=1S/C26H30N2O5/c1-18-17-24(30)33-26-20(18)9-10-23(25(26)19(2)29)32-16-6-11-27-12-14-28(15-13-27)21-7-4-5-8-22(21)31-3/h4-5,7-10,17H,6,11-16H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in CHO-K1 cell membranes after 60 mins by microbeta scintillation counting analys...				Bioorg Med Chem 26: 527-535 (2018) Article DOI: 10.1016/j.bmc.2017.12.016 BindingDB Entry DOI: 10.7270/Q2DF6TTS
					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
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50457575 (CHEMBL3979261) Show SMILES Cl.COc1ccccc1N1CCN(CCCOc2c(C)cccc2C)CC1 Show InChI InChI=1S/C22H30N2O2/c1-18-8-6-9-19(2)22(18)26-17-7-12-23-13-15-24(16-14-23)20-10-4-5-11-21(20)25-3/h4-6,8-11H,7,12-17H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from Wistar rat 5-HT1A receptor after 20 mins by liquid scintillation counting method				Bioorg Med Chem Lett 28: 2039-2049 (2018) Article DOI: 10.1016/j.bmcl.2018.04.059 BindingDB Entry DOI: 10.7270/Q2CJ8H4K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50073274 (3-Methyl-7-[3-(4-phenyl-piperazin-1-yl)-propoxy]-c...) Show SMILES Cc1cc2ccc(OCCCN3CCN(CC3)c3ccccc3)cc2oc1=O Show InChI InChI=1S/C23H26N2O3/c1-18-16-19-8-9-21(17-22(19)28-23(18)26)27-15-5-10-24-11-13-25(14-12-24)20-6-3-2-4-7-20/h2-4,6-9,16-17H,5,10-15H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.790	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 5-HT1A receptor in Sprague-Dawley rat hippocampus membranes after 10 mins by liquid scintillation counting method				Eur J Med Chem 137: 108-116 (2017) Article DOI: 10.1016/j.ejmech.2017.05.047 BindingDB Entry DOI: 10.7270/Q24B33TF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50270687 (CHEMBL4129173) Show SMILES COc1cccc(c1)N1CCN(CCCCOc2ccc3c(C)cc(=O)oc3c2C(C)=O)CC1 Show InChI InChI=1S/C27H32N2O5/c1-19-17-25(31)34-27-23(19)9-10-24(26(27)20(2)30)33-16-5-4-11-28-12-14-29(15-13-28)21-7-6-8-22(18-21)32-3/h6-10,17-18H,4-5,11-16H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in CHO-K1 cell membranes after 60 mins by scintillation counting method				Eur J Med Chem 137: 108-116 (2017) Article DOI: 10.1016/j.ejmech.2017.05.047 BindingDB Entry DOI: 10.7270/Q24B33TF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50454164 (CHEMBL4213170) Show SMILES CC(=O)c1c(OCCCN2CCN(CC2)c2cc(C)cc(C)c2)ccc2c(C)cc(=O)oc12 Show InChI InChI=1S/C27H32N2O4/c1-18-14-19(2)16-22(15-18)29-11-9-28(10-12-29)8-5-13-32-24-7-6-23-20(3)17-25(31)33-27(23)26(24)21(4)30/h6-7,14-17H,5,8-13H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in CHO-K1 cell membranes after 60 mins by microbeta scintillation counting analys...				Bioorg Med Chem 26: 527-535 (2018) Article DOI: 10.1016/j.bmc.2017.12.016 BindingDB Entry DOI: 10.7270/Q2DF6TTS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50454167 (CHEMBL4217736) Show SMILES CC(=O)c1c(OCCCCN2CCN(CC2)c2ccccc2Cl)ccc2c(C)cc(=O)oc12 Show InChI InChI=1S/C26H29ClN2O4/c1-18-17-24(31)33-26-20(18)9-10-23(25(26)19(2)30)32-16-6-5-11-28-12-14-29(15-13-28)22-8-4-3-7-21(22)27/h3-4,7-10,17H,5-6,11-16H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in CHO-K1 cell membranes after 60 mins by microbeta scintillation counting analys...				Bioorg Med Chem 26: 527-535 (2018) Article DOI: 10.1016/j.bmc.2017.12.016 BindingDB Entry DOI: 10.7270/Q2DF6TTS
					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	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]LSD from recombinant human 5-HT6 receptor expressed in CHO cells cell membranes after 60 mins by liquid scintillation counting me...				Bioorg Med Chem Lett 28: 2039-2049 (2018) Article DOI: 10.1016/j.bmcl.2018.04.059 BindingDB Entry DOI: 10.7270/Q2CJ8H4K
					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
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)
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 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
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))	BDBM152784 (1-[(2,4,6-trimethylphenoxy)propyl]-4-(2-methoxyphe...) Show SMILES COc1ccccc1N1CCN(CCCOc2c(C)cc(C)cc2C)CC1 Show InChI InChI=1S/C23H32N2O2.ClH/c1-18-16-19(2)23(20(3)17-18)27-15-7-10-24-11-13-25(14-12-24)21-8-5-6-9-22(21)26-4;/h5-6,8-9,16-17H,7,10-15H2,1-4H3;1H	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
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5-HT1A receptor expressed in HEK293 cell membranes after 1 hr				Bioorg Med Chem Lett 28: 2039-2049 (2018) Article DOI: 10.1016/j.bmcl.2018.04.059 BindingDB Entry DOI: 10.7270/Q2CJ8H4K
					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
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 1A (Homo sapiens (Human))	BDBM50454169 (CHEMBL4218830) Show SMILES COc1ccccc1N1CCN(CCCCOc2ccc3c(C)cc(=O)oc3c2C(C)=O)CC1 Show InChI InChI=1S/C27H32N2O5/c1-19-18-25(31)34-27-21(19)10-11-24(26(27)20(2)30)33-17-7-6-12-28-13-15-29(16-14-28)22-8-4-5-9-23(22)32-3/h4-5,8-11,18H,6-7,12-17H2,1-3H3	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
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in CHO-K1 cell membranes after 60 mins by microbeta scintillation counting analys...				Bioorg Med Chem 26: 527-535 (2018) Article DOI: 10.1016/j.bmc.2017.12.016 BindingDB Entry DOI: 10.7270/Q2DF6TTS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50270698 (CHEMBL4127564) Show SMILES CC(=O)c1c(OCCCCN2CCN(CC2)c2ccccc2F)ccc2c(C)cc(=O)oc12 Show InChI InChI=1S/C26H29FN2O4/c1-18-17-24(31)33-26-20(18)9-10-23(25(26)19(2)30)32-16-6-5-11-28-12-14-29(15-13-28)22-8-4-3-7-21(22)27/h3-4,7-10,17H,5-6,11-16H2,1-2H3	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
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in CHO-K1 cell membranes after 60 mins by scintillation counting method				Eur J Med Chem 137: 108-116 (2017) Article DOI: 10.1016/j.ejmech.2017.05.047 BindingDB Entry DOI: 10.7270/Q24B33TF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50270699 (CHEMBL4129293) Show SMILES CC(=O)c1c(OCCCN2CCN(CC2)c2ccccc2C#N)ccc2c(C)cc(=O)oc12 Show InChI InChI=1S/C26H27N3O4/c1-18-16-24(31)33-26-21(18)8-9-23(25(26)19(2)30)32-15-5-10-28-11-13-29(14-12-28)22-7-4-3-6-20(22)17-27/h3-4,6-9,16H,5,10-15H2,1-2H3	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
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in CHO-K1 cell membranes after 60 mins by scintillation counting method				Eur J Med Chem 137: 108-116 (2017) Article DOI: 10.1016/j.ejmech.2017.05.047 BindingDB Entry DOI: 10.7270/Q24B33TF
					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))	BDBM50270695 (CHEMBL4129562) Show SMILES CC(=O)c1c(OCCCN2CCN(CC2)c2ccccc2F)ccc2c(C)cc(=O)oc12 Show InChI InChI=1S/C25H27FN2O4/c1-17-16-23(30)32-25-19(17)8-9-22(24(25)18(2)29)31-15-5-10-27-11-13-28(14-12-27)21-7-4-3-6-20(21)26/h3-4,6-9,16H,5,10-15H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in CHO-K1 cell membranes after 60 mins by scintillation counting method				Eur J Med Chem 137: 108-116 (2017) Article DOI: 10.1016/j.ejmech.2017.05.047 BindingDB Entry DOI: 10.7270/Q24B33TF
					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
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in CHO-K1 cell membranes after 60 mins by scintillation counting method				Eur J Med Chem 137: 108-116 (2017) Article DOI: 10.1016/j.ejmech.2017.05.047 BindingDB Entry DOI: 10.7270/Q24B33TF
					More data for this Ligand-Target Pair				3D Structure (crystal)
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
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	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in CHO-K1 cell membranes after 60 mins by microbeta scintillation counting analys...				Bioorg Med Chem 26: 527-535 (2018) Article DOI: 10.1016/j.bmc.2017.12.016 BindingDB Entry DOI: 10.7270/Q2DF6TTS
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50270696 (CHEMBL4130132) Show SMILES CC(=O)c1c(OCCCCN2CCN(CC2)c2ccccc2C#N)ccc2c(C)cc(=O)oc12 Show InChI InChI=1S/C27H29N3O4/c1-19-17-25(32)34-27-22(19)9-10-24(26(27)20(2)31)33-16-6-5-11-29-12-14-30(15-13-29)23-8-4-3-7-21(23)18-28/h3-4,7-10,17H,5-6,11-16H2,1-2H3	PDB UniProtKB/SwissProt 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
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in CHO-K1 cell membranes after 60 mins by scintillation counting method				Eur J Med Chem 137: 108-116 (2017) Article DOI: 10.1016/j.ejmech.2017.05.047 BindingDB Entry DOI: 10.7270/Q24B33TF
					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
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50454172 (CHEMBL4207177) Show SMILES CC(=O)c1c(OCCCCN2CCN(CC2)c2ccccc2Br)ccc2c(C)cc(=O)oc12 Show InChI InChI=1S/C26H29BrN2O4/c1-18-17-24(31)33-26-20(18)9-10-23(25(26)19(2)30)32-16-6-5-11-28-12-14-29(15-13-28)22-8-4-3-7-21(22)27/h3-4,7-10,17H,5-6,11-16H2,1-2H3	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
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in CHO-K1 cell membranes after 60 mins by microbeta scintillation counting analys...				Bioorg Med Chem 26: 527-535 (2018) Article DOI: 10.1016/j.bmc.2017.12.016 BindingDB Entry DOI: 10.7270/Q2DF6TTS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50270684 (CHEMBL4128053) Show SMILES COc1cccc(c1)N1CCN(CCCOc2ccc3c(C)cc(=O)oc3c2C(C)=O)CC1 Show InChI InChI=1S/C26H30N2O5/c1-18-16-24(30)33-26-22(18)8-9-23(25(26)19(2)29)32-15-5-10-27-11-13-28(14-12-27)20-6-4-7-21(17-20)31-3/h4,6-9,16-17H,5,10-15H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in CHO-K1 cell membranes after 60 mins by scintillation counting method				Eur J Med Chem 137: 108-116 (2017) Article DOI: 10.1016/j.ejmech.2017.05.047 BindingDB Entry DOI: 10.7270/Q24B33TF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50270693 (CHEMBL4130301) Show SMILES CC(=O)c1c(OCCCN2CCN(CC2)c2cccc(Cl)c2Cl)ccc2c(C)cc(=O)oc12 Show InChI InChI=1S/C25H26Cl2N2O4/c1-16-15-22(31)33-25-18(16)7-8-21(23(25)17(2)30)32-14-4-9-28-10-12-29(13-11-28)20-6-3-5-19(26)24(20)27/h3,5-8,15H,4,9-14H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in CHO-K1 cell membranes after 60 mins by scintillation counting method				Eur J Med Chem 137: 108-116 (2017) Article DOI: 10.1016/j.ejmech.2017.05.047 BindingDB Entry DOI: 10.7270/Q24B33TF
					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
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	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]LSD from recombinant human 5-HT7 receptor expressed in CHO cells cell membranes after 60 mins by liquid scintillation counting me...				Bioorg Med Chem Lett 28: 2039-2049 (2018) Article DOI: 10.1016/j.bmcl.2018.04.059 BindingDB Entry DOI: 10.7270/Q2CJ8H4K
					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
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
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 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
Histamine H1 receptor (Homo sapiens (Human))	BDBM22875 (2-(2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-...) Show SMILES OCCOCCN1CCN(CC1)C(c1ccccc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H27ClN2O2/c22-20-8-6-19(7-9-20)21(18-4-2-1-3-5-18)24-12-10-23(11-13-24)14-16-26-17-15-25/h1-9,21,25H,10-17H2	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	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Binding affinity to histamine H1 receptor (unknown origin)				Bioorg Med Chem Lett 28: 2039-2049 (2018) Article DOI: 10.1016/j.bmcl.2018.04.059 BindingDB Entry DOI: 10.7270/Q2CJ8H4K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50454160 (CHEMBL4209403) Show SMILES CC(=O)c1c(OCCCN2CCN(CC2)c2ccccc2Cl)ccc2c(C)cc(=O)oc12 Show InChI InChI=1S/C25H27ClN2O4/c1-17-16-23(30)32-25-19(17)8-9-22(24(25)18(2)29)31-15-5-10-27-11-13-28(14-12-27)21-7-4-3-6-20(21)26/h3-4,6-9,16H,5,10-15H2,1-2H3	PDB UniProtKB/SwissProt 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
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in CHO-K1 cell membranes after 60 mins by microbeta scintillation counting analys...				Bioorg Med Chem 26: 527-535 (2018) Article DOI: 10.1016/j.bmc.2017.12.016 BindingDB Entry DOI: 10.7270/Q2DF6TTS
					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
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50457578 (CHEMBL4209888) Show SMILES Cl.COc1ccccc1N1CCN(CCCOc2ccc(C)cc2C)CC1 Show InChI InChI=1S/C22H30N2O2/c1-18-9-10-21(19(2)17-18)26-16-6-11-23-12-14-24(15-13-23)20-7-4-5-8-22(20)25-3/h4-5,7-10,17H,6,11-16H2,1-3H3	PDB UniProtKB/SwissProt 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
Jagiellonian University Medical College 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 liquid scintillation countin...				Bioorg Med Chem Lett 28: 2039-2049 (2018) Article DOI: 10.1016/j.bmcl.2018.04.059 BindingDB Entry DOI: 10.7270/Q2CJ8H4K
					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	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]-ketanserin from human 5-HT2A receptor expressed in CHO-K1 cell membranes after 60 mins by microbeta scintillation counting analy...				Bioorg Med Chem 26: 527-535 (2018) Article DOI: 10.1016/j.bmc.2017.12.016 BindingDB Entry DOI: 10.7270/Q2DF6TTS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50270697 (CHEMBL4126092) Show SMILES CC(=O)c1c(OCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)ccc2c(C)cc(=O)oc12 Show InChI InChI=1S/C26H28Cl2N2O4/c1-17-16-23(32)34-26-19(17)8-9-22(24(26)18(2)31)33-15-4-3-10-29-11-13-30(14-12-29)21-7-5-6-20(27)25(21)28/h5-9,16H,3-4,10-15H2,1-2H3	PDB UniProtKB/SwissProt 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
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in CHO-K1 cell membranes after 60 mins by scintillation counting method				Eur J Med Chem 137: 108-116 (2017) Article DOI: 10.1016/j.ejmech.2017.05.047 BindingDB Entry DOI: 10.7270/Q24B33TF
					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	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]-ketanserin from human 5-HT2A receptor expressed in CHO-K1 cell membranes after 60 mins by scintillation counting method				Eur J Med Chem 137: 108-116 (2017) Article DOI: 10.1016/j.ejmech.2017.05.047 BindingDB Entry DOI: 10.7270/Q24B33TF
					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
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))	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

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