BDBM194795 US9206167, 16::USRE48059, Compound of Example 16

SMILES: CC1CC(=O)Nc2cc(OCCCCN3CCN(CC3)c3cccc4sccc34)ccc12

InChI Key: InChIKey=FASXOXVOBCJFBS-UHFFFAOYSA-N

Data: 4 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 194795   

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))	BDBM194795 (US9206167, 16 | USRE48059, Compound of Example 16) Show SMILES CC1CC(=O)Nc2cc(OCCCCN3CCN(CC3)c3cccc4sccc34)ccc12 Show InChI InChI=1S/C26H31N3O2S/c1-19-17-26(30)27-23-18-20(7-8-21(19)23)31-15-3-2-10-28-11-13-29(14-12-28)24-5-4-6-25-22(24)9-16-32-25/h4-9,16,18-19H,2-3,10-15,17H2,1H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Otsuka Pharmaceutical Co., Ltd. US Patent					Assay Description Dopamine D2: The binding assay was performed using 40 μl of the membrane specimen, 20 μl of [3H]-raclopride (final concentration 1 to 2 nM)...				US Patent USRE48059 (2020)
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM194795 (US9206167, 16 | USRE48059, Compound of Example 16) Show SMILES CC1CC(=O)Nc2cc(OCCCCN3CCN(CC3)c3cccc4sccc34)ccc12 Show InChI InChI=1S/C26H31N3O2S/c1-19-17-26(30)27-23-18-20(7-8-21(19)23)31-15-3-2-10-28-11-13-29(14-12-28)24-5-4-6-25-22(24)9-16-32-25/h4-9,16,18-19H,2-3,10-15,17H2,1H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.700	-12.5	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))	BDBM194795 (US9206167, 16 | USRE48059, Compound of Example 16) Show SMILES CC1CC(=O)Nc2cc(OCCCCN3CCN(CC3)c3cccc4sccc34)ccc12 Show InChI InChI=1S/C26H31N3O2S/c1-19-17-26(30)27-23-18-20(7-8-21(19)23)31-15-3-2-10-28-11-13-29(14-12-28)24-5-4-6-25-22(24)9-16-32-25/h4-9,16,18-19H,2-3,10-15,17H2,1H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7	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)
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM194795 (US9206167, 16 | USRE48059, Compound of Example 16) Show SMILES CC1CC(=O)Nc2cc(OCCCCN3CCN(CC3)c3cccc4sccc34)ccc12 Show InChI InChI=1S/C26H31N3O2S/c1-19-17-26(30)27-23-18-20(7-8-21(19)23)31-15-3-2-10-28-11-13-29(14-12-28)24-5-4-6-25-22(24)9-16-32-25/h4-9,16,18-19H,2-3,10-15,17H2,1H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7	-11.6	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