Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2A' and Ligand = 'BDBM194817'   

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 (Rattus norvegicus (rat))	BDBM194817 (US9206167, 39 | USRE48059, Compound of Example 39) Show SMILES Oc1ccc2ccn(CCCCN3CCN(CC3)c3cccc4sccc34)c(=O)c2c1 Show InChI InChI=1S/C25H27N3O2S/c29-20-7-6-19-8-12-28(25(30)22(19)18-20)11-2-1-10-26-13-15-27(16-14-26)23-4-3-5-24-21(23)9-17-31-24/h3-9,12,17-18,29H,1-2,10-11,13-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Otsuka Pharmaceutical Co., Ltd. US Patent					Assay Description 5-HT2A: The binding assay was performed using 40 μl of the membrane specimen, 20 μl of [3H]-Ketanserin (final concentration 1 to 3 nM), 20 ...				US Patent USRE48059 (2020) BindingDB Entry DOI: 10.7270/Q2833W3C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM194817 (US9206167, 39 | USRE48059, Compound of Example 39) Show SMILES Oc1ccc2ccn(CCCCN3CCN(CC3)c3cccc4sccc34)c(=O)c2c1 Show InChI InChI=1S/C25H27N3O2S/c29-20-7-6-19-8-12-28(25(30)22(19)18-20)11-2-1-10-26-13-15-27(16-14-26)23-4-3-5-24-21(23)9-17-31-24/h3-9,12,17-18,29H,1-2,10-11,13-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.10	-51.5	n/a	n/a	n/a	n/a	n/a	7.4	37
OTSUKA PHARMACEUTICAL CO., LTD. US Patent					Assay Description The assay was performed according to the method by Leysen J E et al. (Leysen J E, Niemegeers C J E, Van Nueten J M and Laduron P M. [3H] Ketanserin (...				US Patent US9206167 (2015) BindingDB Entry DOI: 10.7270/Q2XD10GS
					More data for this Ligand-Target Pair