Compile Data Set for Download or QSAR

Found 19 hits Enz. Inhib. hit(s) with all data for entry = 50041354   

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))	BDBM50001524 (CHEMBL24474) Show SMILES Nc1ccc(cc1)S(=O)(=O)c1cc(Br)nc(c1)N1CCNCC1 Show InChI InChI=1S/C15H17BrN4O2S/c16-14-9-13(10-15(19-14)20-7-5-18-6-8-20)23(21,22)12-3-1-11(17)2-4-12/h1-4,9-10,18H,5-8,17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-LaRoche Curated by ChEMBL					Assay Description Binding constant towards serotonin receptor subtype 5-hydroxytryptamine 6 receptor expressed in HeLa cells using [3H]LSD as radioligand				J Med Chem 46: 1273-6 (2003) Checked by Author Article DOI: 10.1021/jm021085c BindingDB Entry DOI: 10.7270/Q20G3MCZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50228649 (4-(2-Bromo-6-pyrrolidin-1-yl-pyridine-4-sulfonyl)-...) Show SMILES Nc1ccc(cc1)S(=O)(=O)c1cc(Br)nc(c1)N1CCCC1 Show InChI InChI=1S/C15H16BrN3O2S/c16-14-9-13(10-15(18-14)19-7-1-2-8-19)22(20,21)12-5-3-11(17)4-6-12/h3-6,9-10H,1-2,7-8,17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-LaRoche Curated by ChEMBL					Assay Description Binding constant towards serotonin receptor subtype 5-hydroxytryptamine 6 receptor expressed in HeLa cells using [3H]LSD as radioligand				J Med Chem 46: 1273-6 (2003) Checked by Author Article DOI: 10.1021/jm021085c BindingDB Entry DOI: 10.7270/Q20G3MCZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50001523 (CHEMBL23575) Show SMILES CNc1cc(cc(Br)n1)S(=O)(=O)c1ccc(N)cc1 Show InChI InChI=1S/C12H12BrN3O2S/c1-15-12-7-10(6-11(13)16-12)19(17,18)9-4-2-8(14)3-5-9/h2-7H,14H2,1H3,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-LaRoche Curated by ChEMBL					Assay Description Binding constant towards serotonin receptor subtype 5-hydroxytryptamine 6 receptor expressed in HeLa cells using [3H]LSD as radioligand				J Med Chem 46: 1273-6 (2003) Checked by Author Article DOI: 10.1021/jm021085c BindingDB Entry DOI: 10.7270/Q20G3MCZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50001524 (CHEMBL24474) Show SMILES Nc1ccc(cc1)S(=O)(=O)c1cc(Br)nc(c1)N1CCNCC1 Show InChI InChI=1S/C15H17BrN4O2S/c16-14-9-13(10-15(19-14)20-7-5-18-6-8-20)23(21,22)12-3-1-11(17)2-4-12/h1-4,9-10,18H,5-8,17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-LaRoche Curated by ChEMBL					Assay Description Binding constant towards serotonin receptor subtype 5-hydroxytryptamine 2C receptor expressed in 3T3 cells using [3H]5-HT as radioligand				J Med Chem 46: 1273-6 (2003) Checked by Author Article DOI: 10.1021/jm021085c BindingDB Entry DOI: 10.7270/Q20G3MCZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50001521 (CHEMBL23965) Show SMILES CNc1cc(cc(Br)n1)S(=O)(=O)Nc1ccc(N)cc1 Show InChI InChI=1S/C12H13BrN4O2S/c1-15-12-7-10(6-11(13)16-12)20(18,19)17-9-4-2-8(14)3-5-9/h2-7,17H,14H2,1H3,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-LaRoche Curated by ChEMBL					Assay Description Binding constant towards serotonin receptor subtype 5-hydroxytryptamine 6 receptor expressed in HeLa cells using [3H]LSD as radioligand				J Med Chem 46: 1273-6 (2003) Checked by Author Article DOI: 10.1021/jm021085c BindingDB Entry DOI: 10.7270/Q20G3MCZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50001522 (CHEMBL415464) Show SMILES Nc1ccc(cc1)S(=O)(=O)c1cc(Br)nc(Br)c1 Show InChI InChI=1S/C11H8Br2N2O2S/c12-10-5-9(6-11(13)15-10)18(16,17)8-3-1-7(14)2-4-8/h1-6H,14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-LaRoche Curated by ChEMBL					Assay Description Binding constant towards serotonin receptor subtype 5-hydroxytryptamine 6 receptor expressed in HeLa cells using [3H]LSD as radioligand				J Med Chem 46: 1273-6 (2003) Checked by Author Article DOI: 10.1021/jm021085c BindingDB Entry DOI: 10.7270/Q20G3MCZ
					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	55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-LaRoche Curated by ChEMBL					Assay Description Binding constant towards serotonin receptor subtype 5-hydroxytryptamine 6 receptor expressed in HeLa cells using [3H]LSD as radioligand				J Med Chem 46: 1273-6 (2003) Checked by Author Article DOI: 10.1021/jm021085c BindingDB Entry DOI: 10.7270/Q20G3MCZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50001524 (CHEMBL24474) Show SMILES Nc1ccc(cc1)S(=O)(=O)c1cc(Br)nc(c1)N1CCNCC1 Show InChI InChI=1S/C15H17BrN4O2S/c16-14-9-13(10-15(19-14)20-7-5-18-6-8-20)23(21,22)12-3-1-11(17)2-4-12/h1-4,9-10,18H,5-8,17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.12E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-LaRoche Curated by ChEMBL					Assay Description Binding constant towards serotonin receptor subtype 5-hydroxytryptamine 1D receptor expressed in HEK 293 cells using [3H]LSD as radioligand				J Med Chem 46: 1273-6 (2003) Checked by Author Article DOI: 10.1021/jm021085c BindingDB Entry DOI: 10.7270/Q20G3MCZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50228649 (4-(2-Bromo-6-pyrrolidin-1-yl-pyridine-4-sulfonyl)-...) Show SMILES Nc1ccc(cc1)S(=O)(=O)c1cc(Br)nc(c1)N1CCCC1 Show InChI InChI=1S/C15H16BrN3O2S/c16-14-9-13(10-15(18-14)19-7-1-2-8-19)22(20,21)12-5-3-11(17)4-6-12/h3-6,9-10H,1-2,7-8,17H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.45E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-LaRoche Curated by ChEMBL					Assay Description Binding constant towards serotonin receptor subtype 5-hydroxytryptamine 2A receptor expressed in 3T3 cells using [3H]5-HT as radioligand				J Med Chem 46: 1273-6 (2003) Checked by Author Article DOI: 10.1021/jm021085c BindingDB Entry DOI: 10.7270/Q20G3MCZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50001523 (CHEMBL23575) Show SMILES CNc1cc(cc(Br)n1)S(=O)(=O)c1ccc(N)cc1 Show InChI InChI=1S/C12H12BrN3O2S/c1-15-12-7-10(6-11(13)16-12)19(17,18)9-4-2-8(14)3-5-9/h2-7H,14H2,1H3,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-LaRoche Curated by ChEMBL					Assay Description Binding constant towards serotonin receptor subtype 5-hydroxytryptamine 1D receptor expressed in HEK 293 cells using [3H]LSD as radioligand				J Med Chem 46: 1273-6 (2003) Checked by Author Article DOI: 10.1021/jm021085c BindingDB Entry DOI: 10.7270/Q20G3MCZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (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	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-LaRoche Curated by ChEMBL					Assay Description Binding constant towards serotonin receptor subtype 5-hydroxytryptamine 7 receptor expressed in CHO cells using [3H]LSD as radioligand				J Med Chem 46: 1273-6 (2003) Checked by Author Article DOI: 10.1021/jm021085c BindingDB Entry DOI: 10.7270/Q20G3MCZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (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	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-LaRoche Curated by ChEMBL					Assay Description Binding constant towards serotonin receptor subtype 5-hydroxytryptamine 2C receptor expressed in 3T3 cells using [3H]5-HT as radioligand				J Med Chem 46: 1273-6 (2003) Checked by Author Article DOI: 10.1021/jm021085c BindingDB Entry DOI: 10.7270/Q20G3MCZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50001523 (CHEMBL23575) Show SMILES CNc1cc(cc(Br)n1)S(=O)(=O)c1ccc(N)cc1 Show InChI InChI=1S/C12H12BrN3O2S/c1-15-12-7-10(6-11(13)16-12)19(17,18)9-4-2-8(14)3-5-9/h2-7H,14H2,1H3,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-LaRoche Curated by ChEMBL					Assay Description Binding constant towards serotonin receptor subtype 5-hydroxytryptamine 7 receptor expressed in CHO cells using [3H]LSD as radioligand				J Med Chem 46: 1273-6 (2003) Checked by Author Article DOI: 10.1021/jm021085c BindingDB Entry DOI: 10.7270/Q20G3MCZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50001524 (CHEMBL24474) Show SMILES Nc1ccc(cc1)S(=O)(=O)c1cc(Br)nc(c1)N1CCNCC1 Show InChI InChI=1S/C15H17BrN4O2S/c16-14-9-13(10-15(19-14)20-7-5-18-6-8-20)23(21,22)12-3-1-11(17)2-4-12/h1-4,9-10,18H,5-8,17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-LaRoche Curated by ChEMBL					Assay Description Binding constant towards serotonin receptor subtype 5-hydroxytryptamine 7 receptor expressed in CHO cells using [3H]LSD as radioligand				J Med Chem 46: 1273-6 (2003) Checked by Author Article DOI: 10.1021/jm021085c BindingDB Entry DOI: 10.7270/Q20G3MCZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-LaRoche Curated by ChEMBL					Assay Description Binding constant towards serotonin receptor subtype 5-hydroxytryptamine 2A receptor expressed in 3T3 cells using [3H]5-HT as radioligand				J Med Chem 46: 1273-6 (2003) Checked by Author Article DOI: 10.1021/jm021085c BindingDB Entry DOI: 10.7270/Q20G3MCZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50001523 (CHEMBL23575) Show SMILES CNc1cc(cc(Br)n1)S(=O)(=O)c1ccc(N)cc1 Show InChI InChI=1S/C12H12BrN3O2S/c1-15-12-7-10(6-11(13)16-12)19(17,18)9-4-2-8(14)3-5-9/h2-7H,14H2,1H3,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-LaRoche Curated by ChEMBL					Assay Description Binding constant towards serotonin receptor subtype 5-hydroxytryptamine 2C receptor expressed in 3T3 cells using [3H]5-HT as radioligand				J Med Chem 46: 1273-6 (2003) Checked by Author Article DOI: 10.1021/jm021085c BindingDB Entry DOI: 10.7270/Q20G3MCZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (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	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-LaRoche Curated by ChEMBL					Assay Description Binding constant towards serotonin receptor subtype 5-hydroxytryptamine 1D receptor expressed in HEK 293 cells using [3H]LSD as radioligand				J Med Chem 46: 1273-6 (2003) Checked by Author Article DOI: 10.1021/jm021085c BindingDB Entry DOI: 10.7270/Q20G3MCZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50228649 (4-(2-Bromo-6-pyrrolidin-1-yl-pyridine-4-sulfonyl)-...) Show SMILES Nc1ccc(cc1)S(=O)(=O)c1cc(Br)nc(c1)N1CCCC1 Show InChI InChI=1S/C15H16BrN3O2S/c16-14-9-13(10-15(18-14)19-7-1-2-8-19)22(20,21)12-5-3-11(17)4-6-12/h3-6,9-10H,1-2,7-8,17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	<1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-LaRoche Curated by ChEMBL					Assay Description Binding constant towards serotonin receptor subtype 5-hydroxytryptamine 1D receptor expressed in HEK 293 cells using [3H]LSD as radioligand				J Med Chem 46: 1273-6 (2003) Checked by Author Article DOI: 10.1021/jm021085c BindingDB Entry DOI: 10.7270/Q20G3MCZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50228649 (4-(2-Bromo-6-pyrrolidin-1-yl-pyridine-4-sulfonyl)-...) Show SMILES Nc1ccc(cc1)S(=O)(=O)c1cc(Br)nc(c1)N1CCCC1 Show InChI InChI=1S/C15H16BrN3O2S/c16-14-9-13(10-15(18-14)19-7-1-2-8-19)22(20,21)12-5-3-11(17)4-6-12/h3-6,9-10H,1-2,7-8,17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	<1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-LaRoche Curated by ChEMBL					Assay Description Binding constant towards serotonin receptor subtype 5-hydroxytryptamine 7 receptor expressed in CHO cells using [3H]LSD as radioligand				J Med Chem 46: 1273-6 (2003) Checked by Author Article DOI: 10.1021/jm021085c BindingDB Entry DOI: 10.7270/Q20G3MCZ
					More data for this Ligand-Target Pair