Compile Data Set for Download or QSAR

Found 38 hits Enz. Inhib. hit(s) with all data for entry = 50038766   

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
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM34143 (CHEMBL175835 | E-6837) Show SMILES CN(C)CCc1c[nH]c2ccc(NS(=O)(=O)c3ccc4c(Cl)cccc4c3)cc12 Show InChI InChI=1S/C22H22ClN3O2S/c1-26(2)11-10-16-14-24-22-9-6-17(13-20(16)22)25-29(27,28)18-7-8-19-15(12-18)4-3-5-21(19)23/h3-9,12-14,24-25H,10-11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells by liquid scintillation counting				J Med Chem 52: 675-87 (2009) Article DOI: 10.1021/jm8009469 BindingDB Entry DOI: 10.7270/Q2SN09V7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM21358 (2-[1-({6-chloroimidazo[2,1-b][1,3]thiazole-5-}sulf...) Show SMILES NCCc1cn(c2ccccc12)S(=O)(=O)c1c(Cl)nc2sccn12 Show InChI InChI=1S/C15H13ClN4O2S2/c16-13-14(19-7-8-23-15(19)18-13)24(21,22)20-9-10(5-6-17)11-3-1-2-4-12(11)20/h1-4,7-9H,5-6,17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells by liquid scintillation counting				J Med Chem 52: 675-87 (2009) Article DOI: 10.1021/jm8009469 BindingDB Entry DOI: 10.7270/Q2SN09V7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM34141 (CHEMBL76237 | MS-245) Show SMILES COc1ccc2n(cc(CCN(C)C)c2c1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C19H22N2O3S/c1-20(2)12-11-15-14-21(19-10-9-16(24-3)13-18(15)19)25(22,23)17-7-5-4-6-8-17/h4-10,13-14H,11-12H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells by liquid scintillation counting				J Med Chem 52: 675-87 (2009) Article DOI: 10.1021/jm8009469 BindingDB Entry DOI: 10.7270/Q2SN09V7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM34152 (CHEMBL362628 | E-6801) Show SMILES CN(C)CCc1c[nH]c2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc12 Show InChI InChI=1S/C17H18ClN5O2S2/c1-22(2)6-5-11-10-19-14-4-3-12(9-13(11)14)21-27(24,25)16-15(18)20-17-23(16)7-8-26-17/h3-4,7-10,19,21H,5-6H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells by liquid scintillation counting				J Med Chem 52: 675-87 (2009) Article DOI: 10.1021/jm8009469 BindingDB Entry DOI: 10.7270/Q2SN09V7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50266553 (2-(1-benzyl-1H-inden-3-yl)-N,N-dimethylethanamine ...) Show SMILES CN(C)CCC1=CC(Cc2ccccc2)c2ccccc12 |t:5| Show InChI InChI=1S/C20H23N/c1-21(2)13-12-17-15-18(14-16-8-4-3-5-9-16)20-11-7-6-10-19(17)20/h3-11,15,18H,12-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells by liquid scintillation counting				J Med Chem 52: 675-87 (2009) Article DOI: 10.1021/jm8009469 BindingDB Entry DOI: 10.7270/Q2SN09V7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50106250 (CHEMBL93868 | N,N-dimethyl-2-(1-(phenylsulfonyl)-1...) Show SMILES CN(C)CCc1cn(c2ccccc12)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C18H20N2O2S/c1-19(2)13-12-15-14-20(18-11-7-6-10-17(15)18)23(21,22)16-8-4-3-5-9-16/h3-11,14H,12-13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells by liquid scintillation counting				J Med Chem 52: 675-87 (2009) Article DOI: 10.1021/jm8009469 BindingDB Entry DOI: 10.7270/Q2SN09V7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM34153 (CHEMBL476006 | indenylsulfonamide, 14) Show SMILES CN(C)CCC1=C(C)Cc2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc12 |c:5| Show InChI InChI=1S/C19H21ClN4O2S2/c1-12-10-13-4-5-14(11-16(13)15(12)6-7-23(2)3)22-28(25,26)18-17(20)21-19-24(18)8-9-27-19/h4-5,8-9,11,22H,6-7,10H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells by liquid scintillation counting				J Med Chem 52: 675-87 (2009) Article DOI: 10.1021/jm8009469 BindingDB Entry DOI: 10.7270/Q2SN09V7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50164758 (2-(1-benzyl-1H-indol-3-yl)-N,N-dimethylethanamine ...) Show SMILES CN(C)CCc1cn(Cc2ccccc2)c2ccccc12 Show InChI InChI=1S/C19H22N2/c1-20(2)13-12-17-15-21(14-16-8-4-3-5-9-16)19-11-7-6-10-18(17)19/h3-11,15H,12-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells by liquid scintillation counting				J Med Chem 52: 675-87 (2009) Article DOI: 10.1021/jm8009469 BindingDB Entry DOI: 10.7270/Q2SN09V7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM34154 (CHEMBL515307 | indenylsulfonamide, 15) Show SMILES CN(C)CCC1=CCc2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc12 |t:5| Show InChI InChI=1S/C18H19ClN4O2S2/c1-22(2)8-7-13-4-3-12-5-6-14(11-15(12)13)21-27(24,25)17-16(19)20-18-23(17)9-10-26-18/h4-6,9-11,21H,3,7-8H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells by liquid scintillation counting				J Med Chem 52: 675-87 (2009) Article DOI: 10.1021/jm8009469 BindingDB Entry DOI: 10.7270/Q2SN09V7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM28583 (5-chloro-N-[4-methoxy-3-(piperazin-1-yl)phenyl]-3-...) Show SMILES COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCNCC1 Show InChI InChI=1S/C20H22ClN3O3S2/c1-13-16-11-14(21)3-6-19(16)28-20(13)29(25,26)23-15-4-5-18(27-2)17(12-15)24-9-7-22-8-10-24/h3-6,11-12,22-23H,7-10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells by liquid scintillation counting				J Med Chem 52: 675-87 (2009) Article DOI: 10.1021/jm8009469 BindingDB Entry DOI: 10.7270/Q2SN09V7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM34142 (2-ethyl-5-methoxy-N,N-dimethyltryptamine | CHEMBL2...) Show SMILES CCc1[nH]c2ccc(OC)cc2c1CCN(C)C Show InChI InChI=1S/C15H22N2O/c1-5-14-12(8-9-17(2)3)13-10-11(18-4)6-7-15(13)16-14/h6-7,10,16H,5,8-9H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells by liquid scintillation counting				J Med Chem 52: 675-87 (2009) Article DOI: 10.1021/jm8009469 BindingDB Entry DOI: 10.7270/Q2SN09V7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50266617 (6-Chloro-N-[2-methyl-3-(2-pyrrolidin-1-ylethyl)-1H...) Show SMILES CC1=C(CCN2CCCC2)c2cc(NS(=O)(=O)c3c(Cl)nc4sccn34)ccc2C1 |c:1| Show InChI InChI=1S/C21H23ClN4O2S2/c1-14-12-15-4-5-16(13-18(15)17(14)6-9-25-7-2-3-8-25)24-30(27,28)20-19(22)23-21-26(20)10-11-29-21/h4-5,10-11,13,24H,2-3,6-9,12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells by liquid scintillation counting				J Med Chem 52: 675-87 (2009) Article DOI: 10.1021/jm8009469 BindingDB Entry DOI: 10.7270/Q2SN09V7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50266576 (5-chloro-3-methyl-N-(2-methyl-3-(2-(pyrrolidin-1-y...) Show SMILES CC1=C(CCN2CCCC2)c2cc(NS(=O)(=O)c3sc4ccc(Cl)cc4c3C)ccc2C1 |c:1| Show InChI InChI=1S/C25H27ClN2O2S2/c1-16-13-18-5-7-20(15-23(18)21(16)9-12-28-10-3-4-11-28)27-32(29,30)25-17(2)22-14-19(26)6-8-24(22)31-25/h5-8,14-15,27H,3-4,9-13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells by liquid scintillation counting				J Med Chem 52: 675-87 (2009) Article DOI: 10.1021/jm8009469 BindingDB Entry DOI: 10.7270/Q2SN09V7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50266618 (6-Chloro-N-[3-(2-piperidin-1-ylethyl)-1H-inden-5-y...) Show SMILES Clc1nc2sccn2c1S(=O)(=O)Nc1ccc2CC=C(CCN3CCCCC3)c2c1 |t:20| Show InChI InChI=1S/C21H23ClN4O2S2/c22-19-20(26-12-13-29-21(26)23-19)30(27,28)24-17-7-6-15-4-5-16(18(15)14-17)8-11-25-9-2-1-3-10-25/h5-7,12-14,24H,1-4,8-11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells by liquid scintillation counting				J Med Chem 52: 675-87 (2009) Article DOI: 10.1021/jm8009469 BindingDB Entry DOI: 10.7270/Q2SN09V7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50090528 (4-Amino-N-(2,6-bis-dimethylamino-pyrimidin-4-yl)-b...) Show SMILES CNc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(NC)n1 Show InChI InChI=1S/C12H16N6O2S/c1-14-10-7-11(17-12(15-2)16-10)18-21(19,20)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H3,14,15,16,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells by liquid scintillation counting				J Med Chem 52: 675-87 (2009) Article DOI: 10.1021/jm8009469 BindingDB Entry DOI: 10.7270/Q2SN09V7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50266555 (CHEMBL457570 | N-(3-(2-(dimethylamino)ethyl)-2-met...) Show SMILES CN(C)CCC1=C(C)Cc2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc12 |c:5| Show InChI InChI=1S/C24H26N2O2S/c1-17-14-20-8-10-21(16-24(20)23(17)12-13-26(2)3)25-29(27,28)22-11-9-18-6-4-5-7-19(18)15-22/h4-11,15-16,25H,12-14H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells by liquid scintillation counting				J Med Chem 52: 675-87 (2009) Article DOI: 10.1021/jm8009469 BindingDB Entry DOI: 10.7270/Q2SN09V7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50266578 (CHEMBL477650 | N-{3-[2-(Dimethylamino)ethyl]-2-met...) Show SMILES CN(C)CCC1=C(C)Cc2ccc(NS(=O)(=O)c3csc4ccccc34)cc12 |c:5| Show InChI InChI=1S/C22H24N2O2S2/c1-15-12-16-8-9-17(13-20(16)18(15)10-11-24(2)3)23-28(25,26)22-14-27-21-7-5-4-6-19(21)22/h4-9,13-14,23H,10-12H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells by liquid scintillation counting				J Med Chem 52: 675-87 (2009) Article DOI: 10.1021/jm8009469 BindingDB Entry DOI: 10.7270/Q2SN09V7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50266554 (CHEMBL457569 | N-(1-benzylidene-3-(2-(dimethylamin...) Show SMILES CN(C)CCC1=C(C)\C(=C\c2ccccc2)c2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc12 |c:5| Show InChI InChI=1S/C31H30N2O2S/c1-22-28(17-18-33(2)3)31-21-26(14-16-29(31)30(22)19-23-9-5-4-6-10-23)32-36(34,35)27-15-13-24-11-7-8-12-25(24)20-27/h4-16,19-21,32H,17-18H2,1-3H3/b30-19-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	216	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells by liquid scintillation counting				J Med Chem 52: 675-87 (2009) Article DOI: 10.1021/jm8009469 BindingDB Entry DOI: 10.7270/Q2SN09V7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50266577 (CHEMBL478896 | N-{3-[2-(Dimethylamino)ethyl]-2-met...) Show SMILES CN(C)CCC1=C(C)Cc2ccc(NS(=O)(=O)c3cccc4ccccc34)cc12 |c:5| Show InChI InChI=1S/C24H26N2O2S/c1-17-15-19-11-12-20(16-23(19)21(17)13-14-26(2)3)25-29(27,28)24-10-6-8-18-7-4-5-9-22(18)24/h4-12,16,25H,13-15H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	276	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells by liquid scintillation counting				J Med Chem 52: 675-87 (2009) Article DOI: 10.1021/jm8009469 BindingDB Entry DOI: 10.7270/Q2SN09V7
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50266578 (CHEMBL477650 | N-{3-[2-(Dimethylamino)ethyl]-2-met...) Show SMILES CN(C)CCC1=C(C)Cc2ccc(NS(=O)(=O)c3csc4ccccc34)cc12 |c:5| Show InChI InChI=1S/C22H24N2O2S2/c1-15-12-16-8-9-17(13-20(16)18(15)10-11-24(2)3)23-28(25,26)22-14-27-21-7-5-4-6-19(21)22/h4-9,13-14,23H,10-12H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of human adrenergic alpha2A receptor				J Med Chem 52: 675-87 (2009) Article DOI: 10.1021/jm8009469 BindingDB Entry DOI: 10.7270/Q2SN09V7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM34153 (CHEMBL476006 | indenylsulfonamide, 14) Show SMILES CN(C)CCC1=C(C)Cc2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc12 |c:5| Show InChI InChI=1S/C19H21ClN4O2S2/c1-12-10-13-4-5-14(11-16(13)15(12)6-7-23(2)3)22-28(25,26)18-17(20)21-19-24(18)8-9-27-19/h4-5,8-9,11,22H,6-7,10H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of human 5HT1A receptor				J Med Chem 52: 675-87 (2009) Article DOI: 10.1021/jm8009469 BindingDB Entry DOI: 10.7270/Q2SN09V7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM34154 (CHEMBL515307 | indenylsulfonamide, 15) Show SMILES CN(C)CCC1=CCc2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc12 |t:5| Show InChI InChI=1S/C18H19ClN4O2S2/c1-22(2)8-7-13-4-3-12-5-6-14(11-15(12)13)21-27(24,25)17-16(19)20-18-23(17)9-10-26-18/h4-6,9-11,21H,3,7-8H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of human 5HT1A receptor				J Med Chem 52: 675-87 (2009) Article DOI: 10.1021/jm8009469 BindingDB Entry DOI: 10.7270/Q2SN09V7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50266639 (3-(2-(dimethylamino)ethyl)-2-methyl-N-(naphthalen-...) Show SMILES CN(C)CCC1=C(C)Cc2ccc(cc12)S(=O)(=O)Nc1cccc2ccccc12 |c:5| Show InChI InChI=1S/C24H26N2O2S/c1-17-15-19-11-12-20(16-23(19)21(17)13-14-26(2)3)29(27,28)25-24-10-6-8-18-7-4-5-9-22(18)24/h4-12,16,25H,13-15H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of human 5HT1A receptor				J Med Chem 52: 675-87 (2009) Article DOI: 10.1021/jm8009469 BindingDB Entry DOI: 10.7270/Q2SN09V7
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM34153 (CHEMBL476006 | indenylsulfonamide, 14) Show SMILES CN(C)CCC1=C(C)Cc2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc12 |c:5| Show InChI InChI=1S/C19H21ClN4O2S2/c1-12-10-13-4-5-14(11-16(13)15(12)6-7-23(2)3)22-28(25,26)18-17(20)21-19-24(18)8-9-27-19/h4-5,8-9,11,22H,6-7,10H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of human adrenergic alpha2A receptor				J Med Chem 52: 675-87 (2009) Article DOI: 10.1021/jm8009469 BindingDB Entry DOI: 10.7270/Q2SN09V7
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM34154 (CHEMBL515307 | indenylsulfonamide, 15) Show SMILES CN(C)CCC1=CCc2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc12 |t:5| Show InChI InChI=1S/C18H19ClN4O2S2/c1-22(2)8-7-13-4-3-12-5-6-14(11-15(12)13)21-27(24,25)17-16(19)20-18-23(17)9-10-26-18/h4-6,9-11,21H,3,7-8H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of human adrenergic alpha2A receptor				J Med Chem 52: 675-87 (2009) Article DOI: 10.1021/jm8009469 BindingDB Entry DOI: 10.7270/Q2SN09V7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50266555 (CHEMBL457570 | N-(3-(2-(dimethylamino)ethyl)-2-met...) Show SMILES CN(C)CCC1=C(C)Cc2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc12 |c:5| Show InChI InChI=1S/C24H26N2O2S/c1-17-14-20-8-10-21(16-24(20)23(17)12-13-26(2)3)25-29(27,28)22-11-9-18-6-4-5-7-19(18)15-22/h4-11,15-16,25H,12-14H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of human 5HT1A receptor				J Med Chem 52: 675-87 (2009) Article DOI: 10.1021/jm8009469 BindingDB Entry DOI: 10.7270/Q2SN09V7
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50266555 (CHEMBL457570 | N-(3-(2-(dimethylamino)ethyl)-2-met...) Show SMILES CN(C)CCC1=C(C)Cc2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc12 |c:5| Show InChI InChI=1S/C24H26N2O2S/c1-17-14-20-8-10-21(16-24(20)23(17)12-13-26(2)3)25-29(27,28)22-11-9-18-6-4-5-7-19(18)15-22/h4-11,15-16,25H,12-14H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of human adrenergic alpha2A receptor				J Med Chem 52: 675-87 (2009) Article DOI: 10.1021/jm8009469 BindingDB Entry DOI: 10.7270/Q2SN09V7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM34154 (CHEMBL515307 | indenylsulfonamide, 15) Show SMILES CN(C)CCC1=CCc2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc12 |t:5| Show InChI InChI=1S/C18H19ClN4O2S2/c1-22(2)8-7-13-4-3-12-5-6-14(11-15(12)13)21-27(24,25)17-16(19)20-18-23(17)9-10-26-18/h4-6,9-11,21H,3,7-8H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of human 5HT2C receptor				J Med Chem 52: 675-87 (2009) Article DOI: 10.1021/jm8009469 BindingDB Entry DOI: 10.7270/Q2SN09V7
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50266639 (3-(2-(dimethylamino)ethyl)-2-methyl-N-(naphthalen-...) Show SMILES CN(C)CCC1=C(C)Cc2ccc(cc12)S(=O)(=O)Nc1cccc2ccccc12 |c:5| Show InChI InChI=1S/C24H26N2O2S/c1-17-15-19-11-12-20(16-23(19)21(17)13-14-26(2)3)29(27,28)25-24-10-6-8-18-7-4-5-9-22(18)24/h4-12,16,25H,13-15H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of human adrenergic alpha2A receptor				J Med Chem 52: 675-87 (2009) Article DOI: 10.1021/jm8009469 BindingDB Entry DOI: 10.7270/Q2SN09V7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM34153 (CHEMBL476006 | indenylsulfonamide, 14) Show SMILES CN(C)CCC1=C(C)Cc2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc12 |c:5| Show InChI InChI=1S/C19H21ClN4O2S2/c1-12-10-13-4-5-14(11-16(13)15(12)6-7-23(2)3)22-28(25,26)18-17(20)21-19-24(18)8-9-27-19/h4-5,8-9,11,22H,6-7,10H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of human 5HT2C receptor				J Med Chem 52: 675-87 (2009) Article DOI: 10.1021/jm8009469 BindingDB Entry DOI: 10.7270/Q2SN09V7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50266578 (CHEMBL477650 | N-{3-[2-(Dimethylamino)ethyl]-2-met...) Show SMILES CN(C)CCC1=C(C)Cc2ccc(NS(=O)(=O)c3csc4ccccc34)cc12 |c:5| Show InChI InChI=1S/C22H24N2O2S2/c1-15-12-16-8-9-17(13-20(16)18(15)10-11-24(2)3)23-28(25,26)22-14-27-21-7-5-4-6-19(21)22/h4-9,13-14,23H,10-12H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.14E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of human 5HT1A receptor				J Med Chem 52: 675-87 (2009) Article DOI: 10.1021/jm8009469 BindingDB Entry DOI: 10.7270/Q2SN09V7
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM34154 (CHEMBL515307 | indenylsulfonamide, 15) Show SMILES CN(C)CCC1=CCc2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc12 |t:5| Show InChI InChI=1S/C18H19ClN4O2S2/c1-22(2)8-7-13-4-3-12-5-6-14(11-15(12)13)21-27(24,25)17-16(19)20-18-23(17)9-10-26-18/h4-6,9-11,21H,3,7-8H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of human SERT				J Med Chem 52: 675-87 (2009) Article DOI: 10.1021/jm8009469 BindingDB Entry DOI: 10.7270/Q2SN09V7
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM34153 (CHEMBL476006 | indenylsulfonamide, 14) Show SMILES CN(C)CCC1=C(C)Cc2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc12 |c:5| Show InChI InChI=1S/C19H21ClN4O2S2/c1-12-10-13-4-5-14(11-16(13)15(12)6-7-23(2)3)22-28(25,26)18-17(20)21-19-24(18)8-9-27-19/h4-5,8-9,11,22H,6-7,10H2,1-3H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of human SERT				J Med Chem 52: 675-87 (2009) Article DOI: 10.1021/jm8009469 BindingDB Entry DOI: 10.7270/Q2SN09V7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM34153 (CHEMBL476006 | indenylsulfonamide, 14) Show SMILES CN(C)CCC1=C(C)Cc2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc12 |c:5| Show InChI InChI=1S/C19H21ClN4O2S2/c1-12-10-13-4-5-14(11-16(13)15(12)6-7-23(2)3)22-28(25,26)18-17(20)21-19-24(18)8-9-27-19/h4-5,8-9,11,22H,6-7,10H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	0.900	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Agonist activity at human 5HT6 receptor expressed in HEK293F cells assessed as stimulation of cAMP level after 30 mins by HTRF assay Inhibition of ra...				J Med Chem 52: 675-87 (2009) Article DOI: 10.1021/jm8009469 BindingDB Entry DOI: 10.7270/Q2SN09V7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM34154 (CHEMBL515307 | indenylsulfonamide, 15) Show SMILES CN(C)CCC1=CCc2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc12 |t:5| Show InChI InChI=1S/C18H19ClN4O2S2/c1-22(2)8-7-13-4-3-12-5-6-14(11-15(12)13)21-27(24,25)17-16(19)20-18-23(17)9-10-26-18/h4-6,9-11,21H,3,7-8H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	0.300	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Agonist activity at human 5HT6 receptor expressed in HEK293F cells assessed as stimulation of cAMP level after 30 mins by HTRF assay Inhibition of ra...				J Med Chem 52: 675-87 (2009) Article DOI: 10.1021/jm8009469 BindingDB Entry DOI: 10.7270/Q2SN09V7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50266639 (3-(2-(dimethylamino)ethyl)-2-methyl-N-(naphthalen-...) Show SMILES CN(C)CCC1=C(C)Cc2ccc(cc12)S(=O)(=O)Nc1cccc2ccccc12 |c:5| Show InChI InChI=1S/C24H26N2O2S/c1-17-15-19-11-12-20(16-23(19)21(17)13-14-26(2)3)29(27,28)25-24-10-6-8-18-7-4-5-9-22(18)24/h4-12,16,25H,13-15H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	14	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Agonist activity at human 5HT6 receptor expressed in HEK293F cells assessed as stimulation of cAMP level after 30 mins by HTRF assay Inhibition of ra...				J Med Chem 52: 675-87 (2009) Article DOI: 10.1021/jm8009469 BindingDB Entry DOI: 10.7270/Q2SN09V7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50266578 (CHEMBL477650 | N-{3-[2-(Dimethylamino)ethyl]-2-met...) Show SMILES CN(C)CCC1=C(C)Cc2ccc(NS(=O)(=O)c3csc4ccccc34)cc12 |c:5| Show InChI InChI=1S/C22H24N2O2S2/c1-15-12-16-8-9-17(13-20(16)18(15)10-11-24(2)3)23-28(25,26)22-14-27-21-7-5-4-6-19(21)22/h4-9,13-14,23H,10-12H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	0.300	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Agonist activity at human 5HT6 receptor expressed in HEK293F cells assessed as stimulation of cAMP level after 30 mins by HTRF assay Inhibition of ra...				J Med Chem 52: 675-87 (2009) Article DOI: 10.1021/jm8009469 BindingDB Entry DOI: 10.7270/Q2SN09V7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50266555 (CHEMBL457570 | N-(3-(2-(dimethylamino)ethyl)-2-met...) Show SMILES CN(C)CCC1=C(C)Cc2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc12 |c:5| Show InChI InChI=1S/C24H26N2O2S/c1-17-14-20-8-10-21(16-24(20)23(17)12-13-26(2)3)25-29(27,28)22-11-9-18-6-4-5-7-19(18)15-22/h4-11,15-16,25H,12-14H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	3.20	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Agonist activity at human 5HT6 receptor expressed in HEK293F cells assessed as stimulation of cAMP level after 30 mins by HTRF assay Inhibition of ra...				J Med Chem 52: 675-87 (2009) Article DOI: 10.1021/jm8009469 BindingDB Entry DOI: 10.7270/Q2SN09V7
					More data for this Ligand-Target Pair