Compile Data Set for Download or QSAR

Found 16 hits Enz. Inhib. hit(s) with all data for entry = 50037402   

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))	BDBM50169599 (1-Benzenesulfonyl-3-((R)-1-methyl-pyrrolidin-2-ylm...) Show SMILES CN1CCC[C@@H]1Cc1cn(c2ccccc12)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C20H22N2O2S/c1-21-13-7-8-17(21)14-16-15-22(20-12-6-5-11-19(16)20)25(23,24)18-9-3-2-4-10-18/h2-6,9-12,15,17H,7-8,13-14H2,1H3/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Virginia Commonwealth University Curated by ChEMBL					Assay Description Binding affinity against h5-HT6 receptor transiently expressed in HEK293 cells				Bioorg Med Chem Lett 15: 3510-3 (2005) Article DOI: 10.1016/j.bmcl.2005.05.092 BindingDB Entry DOI: 10.7270/Q20Z7411
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50169601 (1-Benzenesulfonyl-3-((S)-1-methyl-pyrrolidin-2-ylm...) Show SMILES CN1CCC[C@H]1Cc1cn(c2ccccc12)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C20H22N2O2S/c1-21-13-7-8-17(21)14-16-15-22(20-12-6-5-11-19(16)20)25(23,24)18-9-3-2-4-10-18/h2-6,9-12,15,17H,7-8,13-14H2,1H3/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Virginia Commonwealth University Curated by ChEMBL					Assay Description Binding affinity against h5-HT6 receptor transiently expressed in HEK293 cells				Bioorg Med Chem Lett 15: 3510-3 (2005) Article DOI: 10.1016/j.bmcl.2005.05.092 BindingDB Entry DOI: 10.7270/Q20Z7411
					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
Virginia Commonwealth University Curated by ChEMBL					Assay Description Binding affinity against h5-HT6 receptor transiently expressed in HEK293 cells				Bioorg Med Chem Lett 15: 3510-3 (2005) Article DOI: 10.1016/j.bmcl.2005.05.092 BindingDB Entry DOI: 10.7270/Q20Z7411
					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	4	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 against h5-HT6 receptor transiently expressed in HEK293 cells				Bioorg Med Chem Lett 15: 3510-3 (2005) Article DOI: 10.1016/j.bmcl.2005.05.092 BindingDB Entry DOI: 10.7270/Q20Z7411
					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
Virginia Commonwealth University Curated by ChEMBL					Assay Description Binding affinity against h5-HT6 receptor transiently expressed in HEK293 cells				Bioorg Med Chem Lett 15: 3510-3 (2005) Article DOI: 10.1016/j.bmcl.2005.05.092 BindingDB Entry DOI: 10.7270/Q20Z7411
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50169602 (1-Benzenesulfonyl-3-(R)-1-pyrrolidin-2-ylmethyl-1H...) Show SMILES O=S(=O)(c1ccccc1)n1cc(C[C@H]2CCCN2)c2ccccc12 Show InChI InChI=1S/C19H20N2O2S/c22-24(23,17-8-2-1-3-9-17)21-14-15(13-16-7-6-12-20-16)18-10-4-5-11-19(18)21/h1-5,8-11,14,16,20H,6-7,12-13H2/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.80	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 against h5-HT6 receptor transiently expressed in HEK293 cells				Bioorg Med Chem Lett 15: 3510-3 (2005) Article DOI: 10.1016/j.bmcl.2005.05.092 BindingDB Entry DOI: 10.7270/Q20Z7411
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50169604 (3-((S)-1-Methyl-pyrrolidin-2-ylmethyl)-1H-indole; ...) Show SMILES CN1CCC[C@H]1Cc1c[nH]c2ccccc12 Show InChI InChI=1S/C14H18N2/c1-16-8-4-5-12(16)9-11-10-15-14-7-3-2-6-13(11)14/h2-3,6-7,10,12,15H,4-5,8-9H2,1H3/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.10	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 against h5-HT6 receptor transiently expressed in HEK293 cells				Bioorg Med Chem Lett 15: 3510-3 (2005) Article DOI: 10.1016/j.bmcl.2005.05.092 BindingDB Entry DOI: 10.7270/Q20Z7411
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50169597 (3-Benzyl-1-((R)-1-methyl-pyrrolidin-2-ylmethyl)-1H...) Show SMILES CN1CCC[C@@H]1Cn1cc(Cc2ccccc2)c2ccccc12 Show InChI InChI=1S/C21H24N2/c1-22-13-7-10-19(22)16-23-15-18(14-17-8-3-2-4-9-17)20-11-5-6-12-21(20)23/h2-6,8-9,11-12,15,19H,7,10,13-14,16H2,1H3/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.90	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 against h5-HT6 receptor transiently expressed in HEK293 cells				Bioorg Med Chem Lett 15: 3510-3 (2005) Article DOI: 10.1016/j.bmcl.2005.05.092 BindingDB Entry DOI: 10.7270/Q20Z7411
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50169595 (3-Benzyl-1-((S)-1-methyl-pyrrolidin-2-ylmethyl)-1H...) Show SMILES CN1CCC[C@H]1Cn1cc(Cc2ccccc2)c2ccccc12 Show InChI InChI=1S/C21H24N2/c1-22-13-7-10-19(22)16-23-15-18(14-17-8-3-2-4-9-17)20-11-5-6-12-21(20)23/h2-6,8-9,11-12,15,19H,7,10,13-14,16H2,1H3/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	29	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 against h5-HT6 receptor transiently expressed in HEK293 cells				Bioorg Med Chem Lett 15: 3510-3 (2005) Article DOI: 10.1016/j.bmcl.2005.05.092 BindingDB Entry DOI: 10.7270/Q20Z7411
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50164759 (CHEMBL186621 | [2-(3-Benzyl-indol-1-yl)-ethyl]-dim...) Show SMILES CN(C)CCn1cc(Cc2ccccc2)c2ccccc12 Show InChI InChI=1S/C19H22N2/c1-20(2)12-13-21-15-17(14-16-8-4-3-5-9-16)18-10-6-7-11-19(18)21/h3-11,15H,12-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	32	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 against h5-HT6 receptor transiently expressed in HEK293 cells				Bioorg Med Chem Lett 15: 3510-3 (2005) Article DOI: 10.1016/j.bmcl.2005.05.092 BindingDB Entry DOI: 10.7270/Q20Z7411
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50169598 (1-Benzenesulfonyl-3-(S)-1-pyrrolidin-2-ylmethyl-1H...) Show SMILES O=S(=O)(c1ccccc1)n1cc(C[C@@H]2CCCN2)c2ccccc12 Show InChI InChI=1S/C19H20N2O2S/c22-24(23,17-8-2-1-3-9-17)21-14-15(13-16-7-6-12-20-16)18-10-4-5-11-19(18)21/h1-5,8-11,14,16,20H,6-7,12-13H2/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	46	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 against h5-HT6 receptor transiently expressed in HEK293 cells				Bioorg Med Chem Lett 15: 3510-3 (2005) Article DOI: 10.1016/j.bmcl.2005.05.092 BindingDB Entry DOI: 10.7270/Q20Z7411
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50169603 (3-(R)-1-Pyrrolidin-2-ylmethyl-1H-indole; hydrochlo...) Show SMILES C([C@H]1CCCN1)c1c[nH]c2ccccc12 Show InChI InChI=1S/C13H16N2/c1-2-6-13-12(5-1)10(9-15-13)8-11-4-3-7-14-11/h1-2,5-6,9,11,14-15H,3-4,7-8H2/t11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	60	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 against h5-HT6 receptor transiently expressed in HEK293 cells				Bioorg Med Chem Lett 15: 3510-3 (2005) Article DOI: 10.1016/j.bmcl.2005.05.092 BindingDB Entry DOI: 10.7270/Q20Z7411
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50169605 (1-((R)-1-Methyl-pyrrolidin-2-ylmethyl)-1H-indole; ...) Show SMILES CN1CCC[C@@H]1Cn1ccc2ccccc12 Show InChI InChI=1S/C14H18N2/c1-15-9-4-6-13(15)11-16-10-8-12-5-2-3-7-14(12)16/h2-3,5,7-8,10,13H,4,6,9,11H2,1H3/t13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	550	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 against h5-HT6 receptor transiently expressed in HEK293 cells				Bioorg Med Chem Lett 15: 3510-3 (2005) Article DOI: 10.1016/j.bmcl.2005.05.092 BindingDB Entry DOI: 10.7270/Q20Z7411
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50169600 (3-((R)-1-Methyl-pyrrolidin-2-ylmethyl)-1H-indole; ...) Show SMILES CN1CCC[C@@H]1Cc1c[nH]c2ccccc12 Show InChI InChI=1S/C14H18N2/c1-16-8-4-5-12(16)9-11-10-15-14-7-3-2-6-13(11)14/h2-3,6-7,10,12,15H,4-5,8-9H2,1H3/t12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	640	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 against h5-HT6 receptor transiently expressed in HEK293 cells				Bioorg Med Chem Lett 15: 3510-3 (2005) Article DOI: 10.1016/j.bmcl.2005.05.092 BindingDB Entry DOI: 10.7270/Q20Z7411
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50169596 (3-(S)-1-Pyrrolidin-2-ylmethyl-1H-indole; hydrochlo...) Show SMILES C([C@@H]1CCCN1)c1c[nH]c2ccccc12 Show InChI InChI=1S/C13H16N2/c1-2-6-13-12(5-1)10(9-15-13)8-11-4-3-7-14-11/h1-2,5-6,9,11,14-15H,3-4,7-8H2/t11-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40E+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 against h5-HT6 receptor transiently expressed in HEK293 cells				Bioorg Med Chem Lett 15: 3510-3 (2005) Article DOI: 10.1016/j.bmcl.2005.05.092 BindingDB Entry DOI: 10.7270/Q20Z7411
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50169594 (1-((S)-1-Methyl-pyrrolidin-2-ylmethyl)-1H-indole; ...) Show SMILES CN1CCC[C@H]1Cn1ccc2ccccc12 Show InChI InChI=1S/C14H18N2/c1-15-9-4-6-13(15)11-16-10-8-12-5-2-3-7-14(12)16/h2-3,5,7-8,10,13H,4,6,9,11H2,1H3/t13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.75E+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 against h5-HT6 receptor transiently expressed in HEK293 cells				Bioorg Med Chem Lett 15: 3510-3 (2005) Article DOI: 10.1016/j.bmcl.2005.05.092 BindingDB Entry DOI: 10.7270/Q20Z7411
					More data for this Ligand-Target Pair