null

SMILES: COc1ccccc1N1CCN(CCCOc2c(C)cc(C)cc2C)CC1

InChI Key: InChIKey=GYTCDYBYSPYDLV-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 152784   

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
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM152784 (1-[(2,4,6-trimethylphenoxy)propyl]-4-(2-methoxyphe...) Show SMILES COc1ccccc1N1CCN(CCCOc2c(C)cc(C)cc2C)CC1 Show InChI InChI=1S/C23H32N2O2.ClH/c1-18-16-19(2)23(20(3)17-18)27-15-7-10-24-11-13-25(14-12-24)21-8-5-6-9-22(21)26-4;/h5-6,8-9,16-17H,7,10-15H2,1-4H3;1H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	<1	<-12.3	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 1A (Homo sapiens (Human))	BDBM152784 (1-[(2,4,6-trimethylphenoxy)propyl]-4-(2-methoxyphe...) Show SMILES COc1ccccc1N1CCN(CCCOc2c(C)cc(C)cc2C)CC1 Show InChI InChI=1S/C23H32N2O2.ClH/c1-18-16-19(2)23(20(3)17-18)27-15-7-10-24-11-13-25(14-12-24)21-8-5-6-9-22(21)26-4;/h5-6,8-9,16-17H,7,10-15H2,1-4H3;1H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	<1	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]8-OH-DPAT from human 5-HT1A receptor expressed in HEK293 cell membranes after 1 hr				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 7 (Homo sapiens (Human))	BDBM152784 (1-[(2,4,6-trimethylphenoxy)propyl]-4-(2-methoxyphe...) Show SMILES COc1ccccc1N1CCN(CCCOc2c(C)cc(C)cc2C)CC1 Show InChI InChI=1S/C23H32N2O2.ClH/c1-18-16-19(2)23(20(3)17-18)27-15-7-10-24-11-13-25(14-12-24)21-8-5-6-9-22(21)26-4;/h5-6,8-9,16-17H,7,10-15H2,1-4H3;1H	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	157	-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
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM152784 (1-[(2,4,6-trimethylphenoxy)propyl]-4-(2-methoxyphe...) Show SMILES COc1ccccc1N1CCN(CCCOc2c(C)cc(C)cc2C)CC1 Show InChI InChI=1S/C23H32N2O2.ClH/c1-18-16-19(2)23(20(3)17-18)27-15-7-10-24-11-13-25(14-12-24)21-8-5-6-9-22(21)26-4;/h5-6,8-9,16-17H,7,10-15H2,1-4H3;1H	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	157	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]5-CT from human 5-HT7 receptor expressed in HEK293 cell membranes after 1 hr				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))	BDBM152784 (1-[(2,4,6-trimethylphenoxy)propyl]-4-(2-methoxyphe...) Show SMILES COc1ccccc1N1CCN(CCCOc2c(C)cc(C)cc2C)CC1 Show InChI InChI=1S/C23H32N2O2.ClH/c1-18-16-19(2)23(20(3)17-18)27-15-7-10-24-11-13-25(14-12-24)21-8-5-6-9-22(21)26-4;/h5-6,8-9,16-17H,7,10-15H2,1-4H3;1H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.83E+3	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 recombinant human 5-HT2A receptor 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))	BDBM152784 (1-[(2,4,6-trimethylphenoxy)propyl]-4-(2-methoxyphe...) Show SMILES COc1ccccc1N1CCN(CCCOc2c(C)cc(C)cc2C)CC1 Show InChI InChI=1S/C23H32N2O2.ClH/c1-18-16-19(2)23(20(3)17-18)27-15-7-10-24-11-13-25(14-12-24)21-8-5-6-9-22(21)26-4;/h5-6,8-9,16-17H,7,10-15H2,1-4H3;1H	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8.06E+3	-6.94	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