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SMILES: COc1ccccc1N1CCN(CCOCCOc2c(C)cccc2C)CC1

InChI Key: InChIKey=NUBMGKAYXIYCOW-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 152785   

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
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM152785 (1-[(2,6-dimethylphenoxy)ethoxyethyl]-4-(2-methoxyp...) Show SMILES COc1ccccc1N1CCN(CCOCCOc2c(C)cccc2C)CC1 Show InChI InChI=1S/C23H32N2O3.ClH/c1-19-7-6-8-20(2)23(19)28-18-17-27-16-15-24-11-13-25(14-12-24)21-9-4-5-10-22(21)26-3;/h4-10H,11-18H2,1-3H3;1H	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]-prazosin from Wistar rat cerebral cortex membranes alpha1 adrenoceptor by liquid scintillation counting method				Bioorg Med Chem Lett 28: 2039-2049 (2018) Article DOI: 10.1016/j.bmcl.2018.04.059 BindingDB Entry DOI: 10.7270/Q2CJ8H4K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM152785 (1-[(2,6-dimethylphenoxy)ethoxyethyl]-4-(2-methoxyp...) Show SMILES COc1ccccc1N1CCN(CCOCCOc2c(C)cccc2C)CC1 Show InChI InChI=1S/C23H32N2O3.ClH/c1-19-7-6-8-20(2)23(19)28-18-17-27-16-15-24-11-13-25(14-12-24)21-9-4-5-10-22(21)26-3;/h4-10H,11-18H2,1-3H3;1H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	41	-10.1	n/a	n/a	n/a	n/a	n/a	n/a	25
Jagiellonian University Medical College					Assay Description The composition of the assay buffers was as follows: for 5-HT1AR: 50 mM Tris¿HCl, 0.1 mM EDTA, 4 mM MgCl2, 10 lM pargyline, and 0.1% ascorbate; for 5...				Chem Biol Drug Des 85: 326-35 (2015) Article DOI: 10.1111/cbdd.12394 BindingDB Entry DOI: 10.7270/Q2DN43SZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM152785 (1-[(2,6-dimethylphenoxy)ethoxyethyl]-4-(2-methoxyp...) Show SMILES COc1ccccc1N1CCN(CCOCCOc2c(C)cccc2C)CC1 Show InChI InChI=1S/C23H32N2O3.ClH/c1-19-7-6-8-20(2)23(19)28-18-17-27-16-15-24-11-13-25(14-12-24)21-9-4-5-10-22(21)26-3;/h4-10H,11-18H2,1-3H3;1H	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	156	-9.28	n/a	n/a	n/a	n/a	n/a	n/a	25
Jagiellonian University Medical College					Assay Description The composition of the assay buffers was as follows: for 5-HT1AR: 50 mM Tris¿HCl, 0.1 mM EDTA, 4 mM MgCl2, 10 lM pargyline, and 0.1% ascorbate; for 5...				Chem Biol Drug Des 85: 326-35 (2015) Article DOI: 10.1111/cbdd.12394 BindingDB Entry DOI: 10.7270/Q2DN43SZ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM152785 (1-[(2,6-dimethylphenoxy)ethoxyethyl]-4-(2-methoxyp...) Show SMILES COc1ccccc1N1CCN(CCOCCOc2c(C)cccc2C)CC1 Show InChI InChI=1S/C23H32N2O3.ClH/c1-19-7-6-8-20(2)23(19)28-18-17-27-16-15-24-11-13-25(14-12-24)21-9-4-5-10-22(21)26-3;/h4-10H,11-18H2,1-3H3;1H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	219	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]-methylspiperone from human D2 receptor expressed in CHOK1 cell membranes after 60 mins by liquid scintillation counting method				Bioorg Med Chem Lett 28: 2039-2049 (2018) Article DOI: 10.1016/j.bmcl.2018.04.059 BindingDB Entry DOI: 10.7270/Q2CJ8H4K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM152785 (1-[(2,6-dimethylphenoxy)ethoxyethyl]-4-(2-methoxyp...) Show SMILES COc1ccccc1N1CCN(CCOCCOc2c(C)cccc2C)CC1 Show InChI InChI=1S/C23H32N2O3.ClH/c1-19-7-6-8-20(2)23(19)28-18-17-27-16-15-24-11-13-25(14-12-24)21-9-4-5-10-22(21)26-3;/h4-10H,11-18H2,1-3H3;1H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	264	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]-ketanserin from human 5-HT2A receptor expressed in CHOK1 cell membranes after 60 mins by liquid scintillation counting method				Bioorg Med Chem Lett 28: 2039-2049 (2018) Article DOI: 10.1016/j.bmcl.2018.04.059 BindingDB Entry DOI: 10.7270/Q2CJ8H4K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM152785 (1-[(2,6-dimethylphenoxy)ethoxyethyl]-4-(2-methoxyp...) Show SMILES COc1ccccc1N1CCN(CCOCCOc2c(C)cccc2C)CC1 Show InChI InChI=1S/C23H32N2O3.ClH/c1-19-7-6-8-20(2)23(19)28-18-17-27-16-15-24-11-13-25(14-12-24)21-9-4-5-10-22(21)26-3;/h4-10H,11-18H2,1-3H3;1H	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	9.97E+3	-6.82	n/a	n/a	n/a	n/a	n/a	n/a	25
Jagiellonian University Medical College					Assay Description The composition of the assay buffers was as follows: for 5-HT1AR: 50 mM Tris¿HCl, 0.1 mM EDTA, 4 mM MgCl2, 10 lM pargyline, and 0.1% ascorbate; for 5...				Chem Biol Drug Des 85: 326-35 (2015) Article DOI: 10.1111/cbdd.12394 BindingDB Entry DOI: 10.7270/Q2DN43SZ
					More data for this Ligand-Target Pair