Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2A' and Ligand = 'BDBM194808'   

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))	BDBM194808 (US10501452, Compound B | US9206167, 30 | USRE48059...) Show SMILES CN1CCc2ccc(OCCCN3CCN(CC3)c3cccc4sccc34)cc2C1=O Show InChI InChI=1S/C25H29N3O2S/c1-26-11-8-19-6-7-20(18-22(19)25(26)29)30-16-3-10-27-12-14-28(15-13-27)23-4-2-5-24-21(23)9-17-31-24/h2,4-7,9,17-18H,3,8,10-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	2	-51.6	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
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM194808 (US10501452, Compound B | US9206167, 30 | USRE48059...) Show SMILES CN1CCc2ccc(OCCCN3CCN(CC3)c3cccc4sccc34)cc2C1=O Show InChI InChI=1S/C25H29N3O2S/c1-26-11-8-19-6-7-20(18-22(19)25(26)29)30-16-3-10-27-12-14-28(15-13-27)23-4-2-5-24-21(23)9-17-31-24/h2,4-7,9,17-18H,3,8,10-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	2	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))	BDBM194808 (US10501452, Compound B | US9206167, 30 | USRE48059...) Show SMILES CN1CCc2ccc(OCCCN3CCN(CC3)c3cccc4sccc34)cc2C1=O Show InChI InChI=1S/C25H29N3O2S/c1-26-11-8-19-6-7-20(18-22(19)25(26)29)30-16-3-10-27-12-14-28(15-13-27)23-4-2-5-24-21(23)9-17-31-24/h2,4-7,9,17-18H,3,8,10-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]ketanserin from rat cerebral cortex 5HT2A receptor measured after 15 mins by liquid scintillation counting method				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112709 BindingDB Entry DOI: 10.7270/Q2XK8K6M
					More data for this Ligand-Target Pair