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SMILES: Cc1cccc2cc(OCCCN3CCN(CC3)c3cccc4sccc34)c(=O)[nH]c12

InChI Key: InChIKey=VVRUSUSURLOZQA-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 194768   

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))	BDBM194768 (US9206167, 117) Show SMILES Cc1cccc2cc(OCCCN3CCN(CC3)c3cccc4sccc34)c(=O)[nH]c12 Show InChI InChI=1S/C25H27N3O2S/c1-18-5-2-6-19-17-22(25(29)26-24(18)19)30-15-4-10-27-11-13-28(14-12-27)21-7-3-8-23-20(21)9-16-31-23/h2-3,5-9,16-17H,4,10-15H2,1H3,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.30	-12.6	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
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM194768 (US9206167, 117) Show SMILES Cc1cccc2cc(OCCCN3CCN(CC3)c3cccc4sccc34)c(=O)[nH]c12 Show InChI InChI=1S/C25H27N3O2S/c1-18-5-2-6-19-17-22(25(29)26-24(18)19)30-15-4-10-27-11-13-28(14-12-27)21-7-3-8-23-20(21)9-16-31-23/h2-3,5-9,16-17H,4,10-15H2,1H3,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.70	-11.4	n/a	n/a	n/a	n/a	n/a	7.4	25
OTSUKA PHARMACEUTICAL CO., LTD. US Patent					Assay Description The assay was performed according to the method by Kohler et al. (Kohler C, Hall H, Ogren S O and Gawell L, Specific in vitro and in vivo binding of ...				US Patent US9206167 (2015) BindingDB Entry DOI: 10.7270/Q2XD10GS
					More data for this Ligand-Target Pair