BDBM194807 US10501452, Compound C::US9206167, 28::USRE48059, Compound of Example 28

SMILES: O=C1NCCc2ccc(OCCCN3CCN(CC3)c3cccc4sccc34)cc12

InChI Key: InChIKey=ZCVYWZZKFYUXJC-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 = 194807   

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))	BDBM194807 (US10501452, Compound C | US9206167, 28 | USRE48059...) Show SMILES O=C1NCCc2ccc(OCCCN3CCN(CC3)c3cccc4sccc34)cc12 Show InChI InChI=1S/C24H27N3O2S/c28-24-21-17-19(6-5-18(21)7-9-25-24)29-15-2-10-26-11-13-27(14-12-26)22-3-1-4-23-20(22)8-16-30-23/h1,3-6,8,16-17H,2,7,9-15H2,(H,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.20	-12.2	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
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM194807 (US10501452, Compound C | US9206167, 28 | USRE48059...) Show SMILES O=C1NCCc2ccc(OCCCN3CCN(CC3)c3cccc4sccc34)cc12 Show InChI InChI=1S/C24H27N3O2S/c28-24-21-17-19(6-5-18(21)7-9-25-24)29-15-2-10-26-11-13-27(14-12-26)22-3-1-4-23-20(22)8-16-30-23/h1,3-6,8,16-17H,2,7,9-15H2,(H,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.20	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))	BDBM194807 (US10501452, Compound C | US9206167, 28 | USRE48059...) Show SMILES O=C1NCCc2ccc(OCCCN3CCN(CC3)c3cccc4sccc34)cc12 Show InChI InChI=1S/C24H27N3O2S/c28-24-21-17-19(6-5-18(21)7-9-25-24)29-15-2-10-26-11-13-27(14-12-26)22-3-1-4-23-20(22)8-16-30-23/h1,3-6,8,16-17H,2,7,9-15H2,(H,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.80	-12.1	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))	BDBM194807 (US10501452, Compound C | US9206167, 28 | USRE48059...) Show SMILES O=C1NCCc2ccc(OCCCN3CCN(CC3)c3cccc4sccc34)cc12 Show InChI InChI=1S/C24H27N3O2S/c28-24-21-17-19(6-5-18(21)7-9-25-24)29-15-2-10-26-11-13-27(14-12-26)22-3-1-4-23-20(22)8-16-30-23/h1,3-6,8,16-17H,2,7,9-15H2,(H,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.80	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))	BDBM194807 (US10501452, Compound C | US9206167, 28 | USRE48059...) Show SMILES O=C1NCCc2ccc(OCCCN3CCN(CC3)c3cccc4sccc34)cc12 Show InChI InChI=1S/C24H27N3O2S/c28-24-21-17-19(6-5-18(21)7-9-25-24)29-15-2-10-26-11-13-27(14-12-26)22-3-1-4-23-20(22)8-16-30-23/h1,3-6,8,16-17H,2,7,9-15H2,(H,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	35.2	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)	BDBM194807 (US10501452, Compound C | US9206167, 28 | USRE48059...) Show SMILES O=C1NCCc2ccc(OCCCN3CCN(CC3)c3cccc4sccc34)cc12 Show InChI InChI=1S/C24H27N3O2S/c28-24-21-17-19(6-5-18(21)7-9-25-24)29-15-2-10-26-11-13-27(14-12-26)22-3-1-4-23-20(22)8-16-30-23/h1,3-6,8,16-17H,2,7,9-15H2,(H,25,28)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	138	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
5-hydroxytryptamine receptor 7 (Rattus norvegicus (rat))	BDBM194807 (US10501452, Compound C | US9206167, 28 | USRE48059...) Show SMILES O=C1NCCc2ccc(OCCCN3CCN(CC3)c3cccc4sccc34)cc12 Show InChI InChI=1S/C24H27N3O2S/c28-24-21-17-19(6-5-18(21)7-9-25-24)29-15-2-10-26-11-13-27(14-12-26)22-3-1-4-23-20(22)8-16-30-23/h1,3-6,8,16-17H,2,7,9-15H2,(H,25,28)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	500	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