BDBM194808 US10501452, Compound B::US9206167, 30::USRE48059, Compound of Example 30

SMILES: CN1CCc2ccc(OCCCN3CCN(CC3)c3cccc4sccc34)cc2C1=O

InChI Key: InChIKey=RDOLSJCBVSDISX-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 194808   

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))	BDBM194808 (US10501452, Compound B | US9206167, 30 | USRE48059...) Show SMILES CN1CCc2ccc(OCCCN3CCN(CC3)c3cccc4sccc34)cc2C1=O Show InChI InChI=1S/C25H29N3O2S/c1-26-11-8-19-6-7-20(18-22(19)25(26)29)30-16-3-10-27-12-14-28(15-13-27)23-4-2-5-24-21(23)9-17-31-24/h2,4-7,9,17-18H,3,8,10-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase 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
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM194808 (US10501452, Compound B | US9206167, 30 | USRE48059...) Show SMILES CN1CCc2ccc(OCCCN3CCN(CC3)c3cccc4sccc34)cc2C1=O Show InChI InChI=1S/C25H29N3O2S/c1-26-11-8-19-6-7-20(18-22(19)25(26)29)30-16-3-10-27-12-14-28(15-13-27)23-4-2-5-24-21(23)9-17-31-24/h2,4-7,9,17-18H,3,8,10-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase 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
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM194808 (US10501452, Compound B | US9206167, 30 | USRE48059...) Show SMILES CN1CCc2ccc(OCCCN3CCN(CC3)c3cccc4sccc34)cc2C1=O Show InChI InChI=1S/C25H29N3O2S/c1-26-11-8-19-6-7-20(18-22(19)25(26)29)30-16-3-10-27-12-14-28(15-13-27)23-4-2-5-24-21(23)9-17-31-24/h2,4-7,9,17-18H,3,8,10-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	2	-12.3	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
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM194808 (US10501452, Compound B | US9206167, 30 | USRE48059...) Show SMILES CN1CCc2ccc(OCCCN3CCN(CC3)c3cccc4sccc34)cc2C1=O Show InChI InChI=1S/C25H29N3O2S/c1-26-11-8-19-6-7-20(18-22(19)25(26)29)30-16-3-10-27-12-14-28(15-13-27)23-4-2-5-24-21(23)9-17-31-24/h2,4-7,9,17-18H,3,8,10-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	2	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
D(2) dopamine receptor (Homo sapiens (Human))	BDBM194808 (US10501452, Compound B | US9206167, 30 | USRE48059...) Show SMILES CN1CCc2ccc(OCCCN3CCN(CC3)c3cccc4sccc34)cc2C1=O Show InChI InChI=1S/C25H29N3O2S/c1-26-11-8-19-6-7-20(18-22(19)25(26)29)30-16-3-10-27-12-14-28(15-13-27)23-4-2-5-24-21(23)9-17-31-24/h2,4-7,9,17-18H,3,8,10-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	15.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NHWA PHARMA. CORPORATION US Patent					Assay Description D2:Procedures(1) The prepared membrane was applied with appropriate amount of buffer, and homogenizer was used for evenly dispersing. 15 tubes were m...				US Patent US10501452 (2019) BindingDB Entry DOI: 10.7270/Q2BK1FR6
					More data for this Ligand-Target Pair
Histamine H1 receptor (RAT)	BDBM194808 (US10501452, Compound B | US9206167, 30 | USRE48059...) Show SMILES CN1CCc2ccc(OCCCN3CCN(CC3)c3cccc4sccc34)cc2C1=O Show InChI InChI=1S/C25H29N3O2S/c1-26-11-8-19-6-7-20(18-22(19)25(26)29)30-16-3-10-27-12-14-28(15-13-27)23-4-2-5-24-21(23)9-17-31-24/h2,4-7,9,17-18H,3,8,10-16H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	139	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NHWA PHARMA. CORPORATION US Patent					Assay Description Histamine H1: (1) The prepared membrane was applied with appropriate amount of buffer, and homogenizer was used for evenly dispersing. 15 tubes were ...				US Patent US10501452 (2019) BindingDB Entry DOI: 10.7270/Q2BK1FR6
					More data for this Ligand-Target Pair
Serotonin (5-HT) receptor (Rattus norvegicus (rat))	BDBM194808 (US10501452, Compound B | US9206167, 30 | USRE48059...) Show SMILES CN1CCc2ccc(OCCCN3CCN(CC3)c3cccc4sccc34)cc2C1=O Show InChI InChI=1S/C25H29N3O2S/c1-26-11-8-19-6-7-20(18-22(19)25(26)29)30-16-3-10-27-12-14-28(15-13-27)23-4-2-5-24-21(23)9-17-31-24/h2,4-7,9,17-18H,3,8,10-16H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	579	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NHWA PHARMA. CORPORATION US Patent					Assay Description 5-HT7: (1) The prepared membrane was applied with buffer, and homogenizer was used for evenly dispersing. 15 tubes were mixed into a 100 ml container...				US Patent US10501452 (2019) BindingDB Entry DOI: 10.7270/Q2BK1FR6
					More data for this Ligand-Target Pair