Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for entry = 8394   

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))	BDBM246305 (US9434692, 52) Show SMILES Cc1[nH]nc(C(=O)N2CCN(CC(=O)c3ccc(F)cc3)CC2)c1Br Show InChI InChI=1S/C17H18BrFN4O2/c1-11-15(18)16(21-20-11)17(25)23-8-6-22(7-9-23)10-14(24)12-2-4-13(19)5-3-12/h2-5H,6-10H2,1H3,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.60	n/a	n/a	n/a	n/a	7.4	25
Arena Pharmaceuticals, Inc. US Patent					Assay Description Radioligand binding assays for human 5-HT2A serotonin receptor was conducted using the 5-HT2 agonist [125I]DOI as radioligand. To define nonspecific ...				US Patent US9434692 (2016) BindingDB Entry DOI: 10.7270/Q2FJ2FQQ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM246306 (US9434692, 66) Show SMILES Cn1nc(cc1-c1ccco1)C(=O)N1CCN(CC(=O)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C21H21FN4O3/c1-24-18(20-3-2-12-29-20)13-17(23-24)21(28)26-10-8-25(9-11-26)14-19(27)15-4-6-16(22)7-5-15/h2-7,12-13H,8-11,14H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.80	n/a	n/a	n/a	n/a	7.4	25
Arena Pharmaceuticals, Inc. US Patent					Assay Description Radioligand binding assays for human 5-HT2A serotonin receptor was conducted using the 5-HT2 agonist [125I]DOI as radioligand. To define nonspecific ...				US Patent US9434692 (2016) BindingDB Entry DOI: 10.7270/Q2FJ2FQQ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM246304 (US9434692, 42) Show SMILES Cc1[nH]nc(C(=O)N2CCN(CC(=O)c3ccc(F)cc3)CC2)c1F Show InChI InChI=1S/C17H18F2N4O2/c1-11-15(19)16(21-20-11)17(25)23-8-6-22(7-9-23)10-14(24)12-2-4-13(18)5-3-12/h2-5H,6-10H2,1H3,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	7.4	25
Arena Pharmaceuticals, Inc. US Patent					Assay Description Radioligand binding assays for human 5-HT2A serotonin receptor was conducted using the 5-HT2 agonist [125I]DOI as radioligand. To define nonspecific ...				US Patent US9434692 (2016) BindingDB Entry DOI: 10.7270/Q2FJ2FQQ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM246303 (US9434692, 24) Show SMILES Cn1cc(Cl)c(n1)C(=O)N1CCN(CCc2ccccc2F)CC1 Show InChI InChI=1S/C17H20ClFN4O/c1-21-12-14(18)16(20-21)17(24)23-10-8-22(9-11-23)7-6-13-4-2-3-5-15(13)19/h2-5,12H,6-11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	36	n/a	n/a	n/a	n/a	7.4	25
Arena Pharmaceuticals, Inc. US Patent					Assay Description Radioligand binding assays for human 5-HT2A serotonin receptor was conducted using the 5-HT2 agonist [125I]DOI as radioligand. To define nonspecific ...				US Patent US9434692 (2016) BindingDB Entry DOI: 10.7270/Q2FJ2FQQ
					More data for this Ligand-Target Pair