Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with all data for assayid = 3 entry = 50003765   

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 2A (Homo sapiens (Human))	BDBM50297894 (2-(3-(1-(phenylsulfonyl)cyclobutyl)propyl)-1,2,3,4...) Show SMILES O=S(=O)(c1ccccc1)C1(CCCN2CCc3ccccc3C2)CCC1 Show InChI InChI=1S/C22H27NO2S/c24-26(25,21-10-2-1-3-11-21)22(13-6-14-22)15-7-16-23-17-12-19-8-4-5-9-20(19)18-23/h1-5,8-11H,6-7,12-18H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	65	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from the cloned human 5-HT2A receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 1255-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.067 BindingDB Entry DOI: 10.7270/Q28D001P
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50475698 (CHEMBL206748) Show SMILES O=S(=O)(c1ccccc1)C1(CCCN2CCC3CCCCC3C2)CCC1 Show InChI InChI=1S/C22H33NO2S/c24-26(25,21-10-2-1-3-11-21)22(13-6-14-22)15-7-16-23-17-12-19-8-4-5-9-20(19)18-23/h1-3,10-11,19-20H,4-9,12-18H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	570	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from the cloned human 5-HT2A receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 1255-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.067 BindingDB Entry DOI: 10.7270/Q28D001P
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50475692 (CHEMBL379238) Show SMILES CC(C)(CCCN1CCCC(C1)c1cnco1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C20H28N2O3S/c1-20(2,26(23,24)18-9-4-3-5-10-18)11-7-13-22-12-6-8-17(15-22)19-14-21-16-25-19/h3-5,9-10,14,16-17H,6-8,11-13,15H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from the cloned human 5-HT2A receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 1255-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.067 BindingDB Entry DOI: 10.7270/Q28D001P
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50475694 (CHEMBL204269) Show SMILES CC(C)(CCCN1CCCC(C1)c1ccccc1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C23H31NO2S/c1-23(2,27(25,26)22-14-7-4-8-15-22)16-10-18-24-17-9-13-21(19-24)20-11-5-3-6-12-20/h3-8,11-12,14-15,21H,9-10,13,16-19H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from the cloned human 5-HT2A receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 1255-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.067 BindingDB Entry DOI: 10.7270/Q28D001P
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50475693 (CHEMBL203400) Show SMILES CCOC(=O)[C@@H]1CCCN(CCCC(C)(C)S(=O)(=O)c2ccccc2)C1 Show InChI InChI=1S/C20H31NO4S/c1-4-25-19(22)17-10-8-14-21(16-17)15-9-13-20(2,3)26(23,24)18-11-6-5-7-12-18/h5-7,11-12,17H,4,8-10,13-16H2,1-3H3/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.87E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from the cloned human 5-HT2A receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 1255-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.067 BindingDB Entry DOI: 10.7270/Q28D001P
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50475695 (CHEMBL380511) Show SMILES CC(C)(CCCN1CCCC(C1)C(F)(F)F)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C18H26F3NO2S/c1-17(2,25(23,24)16-9-4-3-5-10-16)11-7-13-22-12-6-8-15(14-22)18(19,20)21/h3-5,9-10,15H,6-8,11-14H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from the cloned human 5-HT2A receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 1255-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.067 BindingDB Entry DOI: 10.7270/Q28D001P
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50357995 (CHEMBL202780) Show SMILES CC(C)(CCCN1CC[C@@H]2CCCC[C@H]2C1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C21H33NO2S/c1-21(2,25(23,24)20-11-4-3-5-12-20)14-8-15-22-16-13-18-9-6-7-10-19(18)17-22/h3-5,11-12,18-19H,6-10,13-17H2,1-2H3/t18-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from the cloned human 5-HT2A receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 1255-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.067 BindingDB Entry DOI: 10.7270/Q28D001P
					More data for this Ligand-Target Pair