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SMILES: O=C1CCc2ccccc2N1CCCCN1CCN(CC1)c1cccc2sccc12

InChI Key: InChIKey=YFZQHYRTAYCBIY-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 194800   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM194800 (US9206167, 21 | USRE48059, Compound of Example 21) Show SMILES O=C1CCc2ccccc2N1CCCCN1CCN(CC1)c1cccc2sccc12 Show InChI InChI=1S/C25H29N3OS/c29-25-11-10-20-6-1-2-7-22(20)28(25)14-4-3-13-26-15-17-27(18-16-26)23-8-5-9-24-21(23)12-19-30-24/h1-2,5-9,12,19H,3-4,10-11,13-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1	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))	BDBM194800 (US9206167, 21 | USRE48059, Compound of Example 21) Show SMILES O=C1CCc2ccccc2N1CCCCN1CCN(CC1)c1cccc2sccc12 Show InChI InChI=1S/C25H29N3OS/c29-25-11-10-20-6-1-2-7-22(20)28(25)14-4-3-13-26-15-17-27(18-16-26)23-8-5-9-24-21(23)12-19-30-24/h1-2,5-9,12,19H,3-4,10-11,13-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1	-12.8	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