BDBM194809 US9206167, 31::USRE48059, Compound of Example 31

SMILES: CCN1CCc2ccc(OCCCN3CCN(CC3)c3cccc4sccc34)cc2C1=O

InChI Key: InChIKey=HOTLVLKNIWVDRD-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 = 194809   

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))	BDBM194809 (US9206167, 31 | USRE48059, Compound of Example 31) Show SMILES CCN1CCc2ccc(OCCCN3CCN(CC3)c3cccc4sccc34)cc2C1=O Show InChI InChI=1S/C26H31N3O2S/c1-2-28-12-9-20-7-8-21(19-23(20)26(28)30)31-17-4-11-27-13-15-29(16-14-27)24-5-3-6-25-22(24)10-18-32-25/h3,5-8,10,18-19H,2,4,9,11-17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.40	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))	BDBM194809 (US9206167, 31 | USRE48059, Compound of Example 31) Show SMILES CCN1CCc2ccc(OCCCN3CCN(CC3)c3cccc4sccc34)cc2C1=O Show InChI InChI=1S/C26H31N3O2S/c1-2-28-12-9-20-7-8-21(19-23(20)26(28)30)31-17-4-11-27-13-15-29(16-14-27)24-5-3-6-25-22(24)10-18-32-25/h3,5-8,10,18-19H,2,4,9,11-17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.40	-12.1	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))	BDBM194809 (US9206167, 31 | USRE48059, Compound of Example 31) Show SMILES CCN1CCc2ccc(OCCCN3CCN(CC3)c3cccc4sccc34)cc2C1=O Show InChI InChI=1S/C26H31N3O2S/c1-2-28-12-9-20-7-8-21(19-23(20)26(28)30)31-17-4-11-27-13-15-29(16-14-27)24-5-3-6-25-22(24)10-18-32-25/h3,5-8,10,18-19H,2,4,9,11-17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.5	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))	BDBM194809 (US9206167, 31 | USRE48059, Compound of Example 31) Show SMILES CCN1CCc2ccc(OCCCN3CCN(CC3)c3cccc4sccc34)cc2C1=O Show InChI InChI=1S/C26H31N3O2S/c1-2-28-12-9-20-7-8-21(19-23(20)26(28)30)31-17-4-11-27-13-15-29(16-14-27)24-5-3-6-25-22(24)10-18-32-25/h3,5-8,10,18-19H,2,4,9,11-17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.5	-11.8	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