BDBM194802 US9206167, 23::USRE48059, Compound of Example 23

SMILES: O=C1N(CCCCN2CCN(CC2)c2cccc3sccc23)CCc2ccccc12

InChI Key: InChIKey=QZMDTGLDHUBNDE-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 = 194802   

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))	BDBM194802 (US9206167, 23 | USRE48059, Compound of Example 23) Show SMILES O=C1N(CCCCN2CCN(CC2)c2cccc3sccc23)CCc2ccccc12 Show InChI InChI=1S/C25H29N3OS/c29-25-21-7-2-1-6-20(21)10-14-28(25)13-4-3-12-26-15-17-27(18-16-26)23-8-5-9-24-22(23)11-19-30-24/h1-2,5-9,11,19H,3-4,10,12-18H2	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))	BDBM194802 (US9206167, 23 | USRE48059, Compound of Example 23) Show SMILES O=C1N(CCCCN2CCN(CC2)c2cccc3sccc23)CCc2ccccc12 Show InChI InChI=1S/C25H29N3OS/c29-25-21-7-2-1-6-20(21)10-14-28(25)13-4-3-12-26-15-17-27(18-16-26)23-8-5-9-24-22(23)11-19-30-24/h1-2,5-9,11,19H,3-4,10,12-18H2	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))	BDBM194802 (US9206167, 23 | USRE48059, Compound of Example 23) Show SMILES O=C1N(CCCCN2CCN(CC2)c2cccc3sccc23)CCc2ccccc12 Show InChI InChI=1S/C25H29N3OS/c29-25-21-7-2-1-6-20(21)10-14-28(25)13-4-3-12-26-15-17-27(18-16-26)23-8-5-9-24-22(23)11-19-30-24/h1-2,5-9,11,19H,3-4,10,12-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.70	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))	BDBM194802 (US9206167, 23 | USRE48059, Compound of Example 23) Show SMILES O=C1N(CCCCN2CCN(CC2)c2cccc3sccc23)CCc2ccccc12 Show InChI InChI=1S/C25H29N3OS/c29-25-21-7-2-1-6-20(21)10-14-28(25)13-4-3-12-26-15-17-27(18-16-26)23-8-5-9-24-22(23)11-19-30-24/h1-2,5-9,11,19H,3-4,10,12-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.70	-12.4	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