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SMILES: OCc1cc2CCC(=O)Nc2cc1OCCCN1CCN(CC1)c1cccc2sccc12

InChI Key: InChIKey=KVJMESRMJOEXDV-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 194772   

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
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM194772 (US9206167, 139) Show SMILES OCc1cc2CCC(=O)Nc2cc1OCCCN1CCN(CC1)c1cccc2sccc12 Show InChI InChI=1S/C25H29N3O3S/c29-17-19-15-18-5-6-25(30)26-21(18)16-23(19)31-13-2-8-27-9-11-28(12-10-27)22-3-1-4-24-20(22)7-14-32-24/h1,3-4,7,14-16,29H,2,5-6,8-13,17H2,(H,26,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.200	-13.2	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
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM194772 (US9206167, 139) Show SMILES OCc1cc2CCC(=O)Nc2cc1OCCCN1CCN(CC1)c1cccc2sccc12 Show InChI InChI=1S/C25H29N3O3S/c29-17-19-15-18-5-6-25(30)26-21(18)16-23(19)31-13-2-8-27-9-11-28(12-10-27)22-3-1-4-24-20(22)7-14-32-24/h1,3-4,7,14-16,29H,2,5-6,8-13,17H2,(H,26,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4	-11.9	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