Compile Data Set for Download or QSAR

Found 18 hits Enz. Inhib. hit(s) with all data for entry = 50018247   

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))	BDBM50193464 (4-(3-benzenesulfonylphenyl)piperazine | CHEMBL2129...) Show SMILES O=S(=O)(c1ccccc1)c1cccc(c1)N1CCNCC1 Show InChI InChI=1S/C16H18N2O2S/c19-21(20,15-6-2-1-3-7-15)16-8-4-5-14(13-16)18-11-9-17-10-12-18/h1-8,13,17H,9-12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Binding affinity to human 5HT6 receptor in HEK293 cells by radioligand binding assay				J Med Chem 49: 5217-25 (2006) Article DOI: 10.1021/jm060469q BindingDB Entry DOI: 10.7270/Q2416WQN
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50193458 (4-(4-benzenesulfonylphenyl)piperazine | CHEMBL2115...) Show SMILES O=S(=O)(c1ccccc1)c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C16H18N2O2S/c19-21(20,15-4-2-1-3-5-15)16-8-6-14(7-9-16)18-12-10-17-11-13-18/h1-9,17H,10-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Binding affinity to human 5HT6 receptor in HEK293 cells by radioligand binding assay				J Med Chem 49: 5217-25 (2006) Article DOI: 10.1021/jm060469q BindingDB Entry DOI: 10.7270/Q2416WQN
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50193471 (CHEMBL378892 | N,N-dimethyl-2-(1-(phenylsulfonyl)-...) Show SMILES CN(C)CCc1ccn(c1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C14H18N2O2S/c1-15(2)10-8-13-9-11-16(12-13)19(17,18)14-6-4-3-5-7-14/h3-7,9,11-12H,8,10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Binding affinity to human 5HT6 receptor in HEK293 cells by radioligand binding assay				J Med Chem 49: 5217-25 (2006) Article DOI: 10.1021/jm060469q BindingDB Entry DOI: 10.7270/Q2416WQN
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50193472 (CHEMBL378656 | N-(3-(2-aminoethyl)-4-methoxyphenyl...) Show SMILES COc1ccc(NS(=O)(=O)c2ccccc2)cc1CCN Show InChI InChI=1S/C15H18N2O3S/c1-20-15-8-7-13(11-12(15)9-10-16)17-21(18,19)14-5-3-2-4-6-14/h2-8,11,17H,9-10,16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Binding affinity to human 5HT6 receptor in HEK293 cells by radioligand binding assay				J Med Chem 49: 5217-25 (2006) Article DOI: 10.1021/jm060469q BindingDB Entry DOI: 10.7270/Q2416WQN
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50193463 (CHEMBL212063 | N-(3-(2-aminoethyl)phenyl)benzenesu...) Show SMILES NCCc1cccc(NS(=O)(=O)c2ccccc2)c1 Show InChI InChI=1S/C14H16N2O2S/c15-10-9-12-5-4-6-13(11-12)16-19(17,18)14-7-2-1-3-8-14/h1-8,11,16H,9-10,15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Binding affinity to human 5HT6 receptor in HEK293 cells by radioligand binding assay				J Med Chem 49: 5217-25 (2006) Article DOI: 10.1021/jm060469q BindingDB Entry DOI: 10.7270/Q2416WQN
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50193459 (2-(4-(benzenesulfonyl)phenyl)-1-aminoethane | CHEM...) Show SMILES NCCc1ccc(cc1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C14H15NO2S/c15-11-10-12-6-8-14(9-7-12)18(16,17)13-4-2-1-3-5-13/h1-9H,10-11,15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Binding affinity to human 5HT6 receptor in HEK293 cells by radioligand binding assay				J Med Chem 49: 5217-25 (2006) Article DOI: 10.1021/jm060469q BindingDB Entry DOI: 10.7270/Q2416WQN
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50193473 (CHEMBL434365 | N-(4-(2-aminoethyl)phenyl)benzenesu...) Show SMILES NCCc1ccc(NS(=O)(=O)c2ccccc2)cc1 Show InChI InChI=1S/C14H16N2O2S/c15-11-10-12-6-8-13(9-7-12)16-19(17,18)14-4-2-1-3-5-14/h1-9,16H,10-11,15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Binding affinity to human 5HT6 receptor in HEK293 cells by radioligand binding assay				J Med Chem 49: 5217-25 (2006) Article DOI: 10.1021/jm060469q BindingDB Entry DOI: 10.7270/Q2416WQN
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50193457 (CHEMBL212227 | N-(3-(2-(methylamino)ethyl)phenyl)b...) Show SMILES CNCCc1cccc(NS(=O)(=O)c2ccccc2)c1 Show InChI InChI=1S/C15H18N2O2S/c1-16-11-10-13-6-5-7-14(12-13)17-20(18,19)15-8-3-2-4-9-15/h2-9,12,16-17H,10-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Binding affinity to human 5HT6 receptor in HEK293 cells by radioligand binding assay				J Med Chem 49: 5217-25 (2006) Article DOI: 10.1021/jm060469q BindingDB Entry DOI: 10.7270/Q2416WQN
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50193469 (2-(3-benzenesulfonyl)phenyl-1-aminoethane | CHEMBL...) Show SMILES NCCc1cccc(c1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C14H15NO2S/c15-10-9-12-5-4-8-14(11-12)18(16,17)13-6-2-1-3-7-13/h1-8,11H,9-10,15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Binding affinity to human 5HT6 receptor in HEK293 cells by radioligand binding assay				J Med Chem 49: 5217-25 (2006) Article DOI: 10.1021/jm060469q BindingDB Entry DOI: 10.7270/Q2416WQN
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50193465 (CHEMBL212178 | N-(3-(2-(dimethylamino)ethyl)phenyl...) Show SMILES CN(C)CCc1cccc(NS(=O)(=O)c2ccccc2)c1 Show InChI InChI=1S/C16H20N2O2S/c1-18(2)12-11-14-7-6-8-15(13-14)17-21(19,20)16-9-4-3-5-10-16/h3-10,13,17H,11-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Binding affinity to human 5HT6 receptor in HEK293 cells by radioligand binding assay				J Med Chem 49: 5217-25 (2006) Article DOI: 10.1021/jm060469q BindingDB Entry DOI: 10.7270/Q2416WQN
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50193466 (4-(3-benzenesulfonamidophenyl)piperazine | CHEMBL2...) Show SMILES O=S(=O)(Nc1cccc(c1)N1CCNCC1)c1ccccc1 Show InChI InChI=1S/C16H19N3O2S/c20-22(21,16-7-2-1-3-8-16)18-14-5-4-6-15(13-14)19-11-9-17-10-12-19/h1-8,13,17-18H,9-12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Binding affinity to human 5HT6 receptor in HEK293 cells by radioligand binding assay				J Med Chem 49: 5217-25 (2006) Article DOI: 10.1021/jm060469q BindingDB Entry DOI: 10.7270/Q2416WQN
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50193460 (CHEMBL415046 | N-phenyl-3-(2-aminoethyl)benzenesul...) Show SMILES NCCc1cccc(c1)S(=O)(=O)Nc1ccccc1 Show InChI InChI=1S/C14H16N2O2S/c15-10-9-12-5-4-8-14(11-12)19(17,18)16-13-6-2-1-3-7-13/h1-8,11,16H,9-10,15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Binding affinity to human 5HT6 receptor in HEK293 cells by radioligand binding assay				J Med Chem 49: 5217-25 (2006) Article DOI: 10.1021/jm060469q BindingDB Entry DOI: 10.7270/Q2416WQN
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50193467 (4-(4-benzenesulfonamidophenyl)piperazine | CHEMBL4...) Show SMILES O=S(=O)(Nc1ccc(cc1)N1CCNCC1)c1ccccc1 Show InChI InChI=1S/C16H19N3O2S/c20-22(21,16-4-2-1-3-5-16)18-14-6-8-15(9-7-14)19-12-10-17-11-13-19/h1-9,17-18H,10-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	85	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Binding affinity to human 5HT6 receptor in HEK293 cells by radioligand binding assay				J Med Chem 49: 5217-25 (2006) Article DOI: 10.1021/jm060469q BindingDB Entry DOI: 10.7270/Q2416WQN
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50193470 (2-(3-phenylthio)phenyl)-1-aminoethane | CHEMBL2116...) Show SMILES NCCc1cccc(Sc2ccccc2)c1 Show InChI InChI=1S/C14H15NS/c15-10-9-12-5-4-8-14(11-12)16-13-6-2-1-3-7-13/h1-8,11H,9-10,15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	115	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Binding affinity to human 5HT6 receptor in HEK293 cells by radioligand binding assay				J Med Chem 49: 5217-25 (2006) Article DOI: 10.1021/jm060469q BindingDB Entry DOI: 10.7270/Q2416WQN
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50193468 (CHEMBL378179 | N-(3-(3-aminopropyl)phenyl)benzenes...) Show SMILES NCCCc1cccc(NS(=O)(=O)c2ccccc2)c1 Show InChI InChI=1S/C15H18N2O2S/c16-11-5-7-13-6-4-8-14(12-13)17-20(18,19)15-9-2-1-3-10-15/h1-4,6,8-10,12,17H,5,7,11,16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Binding affinity to human 5HT6 receptor in HEK293 cells by radioligand binding assay				J Med Chem 49: 5217-25 (2006) Article DOI: 10.1021/jm060469q BindingDB Entry DOI: 10.7270/Q2416WQN
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50193462 (CHEMBL209909 | N-(3-(aminomethyl)phenyl)benzenesul...) Show SMILES NCc1cccc(NS(=O)(=O)c2ccccc2)c1 Show InChI InChI=1S/C13H14N2O2S/c14-10-11-5-4-6-12(9-11)15-18(16,17)13-7-2-1-3-8-13/h1-9,15H,10,14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Binding affinity to human 5HT6 receptor in HEK293 cells by radioligand binding assay				J Med Chem 49: 5217-25 (2006) Article DOI: 10.1021/jm060469q BindingDB Entry DOI: 10.7270/Q2416WQN
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50193461 (CHEMBL378618 | N-(3-aminophenyl)benzenesulfonamide) Show SMILES Nc1cccc(NS(=O)(=O)c2ccccc2)c1 Show InChI InChI=1S/C12H12N2O2S/c13-10-5-4-6-11(9-10)14-17(15,16)12-7-2-1-3-8-12/h1-9,14H,13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.84E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Binding affinity to human 5HT6 receptor in HEK293 cells by radioligand binding assay				J Med Chem 49: 5217-25 (2006) Article DOI: 10.1021/jm060469q BindingDB Entry DOI: 10.7270/Q2416WQN
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50193456 (4-(2-benzenesulfonylphenyl)piperazine | CHEMBL2098...) Show SMILES O=S(=O)(c1ccccc1)c1ccccc1N1CCNCC1 Show InChI InChI=1S/C16H18N2O2S/c19-21(20,14-6-2-1-3-7-14)16-9-5-4-8-15(16)18-12-10-17-11-13-18/h1-9,17H,10-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Binding affinity to human 5HT6 receptor in HEK293 cells by radioligand binding assay				J Med Chem 49: 5217-25 (2006) Article DOI: 10.1021/jm060469q BindingDB Entry DOI: 10.7270/Q2416WQN
					More data for this Ligand-Target Pair