BDBM232202 (E)-N-Octyl-3-(3,4,5-trimethoxyphenyl) acrylamide (1e)

SMILES: CCCCCCCCNC(=O)\C=C\c1cc(OC)c(OC)c(OC)c1

InChI Key: InChIKey=COSBICULVLGRCN-VAWYXSNFSA-N

Data: 11 IC50

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 11 hits for monomerid = 232202   

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))	BDBM232202 ((E)-N-Octyl-3-(3,4,5-trimethoxyphenyl) acrylamide ...) Show SMILES CCCCCCCCNC(=O)\C=C\c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C20H31NO4/c1-5-6-7-8-9-10-13-21-19(22)12-11-16-14-17(23-2)20(25-4)18(15-16)24-3/h11-12,14-15H,5-10,13H2,1-4H3,(H,21,22)/b12-11+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	7.4	27
Ewha Womans University					Assay Description For the binding assay, aliquots of receptor membranes, 0.25 nM [3H]8-OH-DPAT (8-hydroxy-2-(di-N-propylamino)tetralin, 154.3 Ci/mM; New England Nuclea...				J Enzyme Inhib Med Chem 25: 38-43 (2010) Article DOI: 10.3109/14756360902932784 BindingDB Entry DOI: 10.7270/Q2F76BDV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM232202 ((E)-N-Octyl-3-(3,4,5-trimethoxyphenyl) acrylamide ...) Show SMILES CCCCCCCCNC(=O)\C=C\c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C20H31NO4/c1-5-6-7-8-9-10-13-21-19(22)12-11-16-14-17(23-2)20(25-4)18(15-16)24-3/h11-12,14-15H,5-10,13H2,1-4H3,(H,21,22)/b12-11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	7.4	n/a
Ewha Womans University					Assay Description For serotonin 5-HT2A binding, an aliquot of frozen membrane from a CHO-K1 cell line expressing the human recombinant 5-HT2A receptor (PerkinElmer) an...				J Enzyme Inhib Med Chem 25: 38-43 (2010) Article DOI: 10.3109/14756360902932784 BindingDB Entry DOI: 10.7270/Q2F76BDV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM232202 ((E)-N-Octyl-3-(3,4,5-trimethoxyphenyl) acrylamide ...) Show SMILES CCCCCCCCNC(=O)\C=C\c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C20H31NO4/c1-5-6-7-8-9-10-13-21-19(22)12-11-16-14-17(23-2)20(25-4)18(15-16)24-3/h11-12,14-15H,5-10,13H2,1-4H3,(H,21,22)/b12-11+	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.80E+3	n/a	n/a	n/a	n/a	7.4	n/a
Ewha Womans University					Assay Description Frozen membranes from a stable CHO-K1 cell line expressing the human recombinant 5-HT2C receptor (PerkinElmer) were used. For the binding assay, [3H]...				J Enzyme Inhib Med Chem 25: 38-43 (2010) Article DOI: 10.3109/14756360902932784 BindingDB Entry DOI: 10.7270/Q2F76BDV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM232202 ((E)-N-Octyl-3-(3,4,5-trimethoxyphenyl) acrylamide ...) Show SMILES CCCCCCCCNC(=O)\C=C\c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C20H31NO4/c1-5-6-7-8-9-10-13-21-19(22)12-11-16-14-17(23-2)20(25-4)18(15-16)24-3/h11-12,14-15H,5-10,13H2,1-4H3,(H,21,22)/b12-11+	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	7.4	27
Ewha Womans University					Assay Description For receptor binding assays, human 5-HT6 and 5-HT7 serotonin receptors expressed in CHO-K1 cells (PerkinElmer) were used. For 5-HT6 receptor binding,...				J Enzyme Inhib Med Chem 25: 38-43 (2010) Article DOI: 10.3109/14756360902932784 BindingDB Entry DOI: 10.7270/Q2F76BDV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM232202 ((E)-N-Octyl-3-(3,4,5-trimethoxyphenyl) acrylamide ...) Show SMILES CCCCCCCCNC(=O)\C=C\c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C20H31NO4/c1-5-6-7-8-9-10-13-21-19(22)12-11-16-14-17(23-2)20(25-4)18(15-16)24-3/h11-12,14-15H,5-10,13H2,1-4H3,(H,21,22)/b12-11+	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	7.4	27
Ewha Womans University					Assay Description For receptor binding assays, human 5-HT6 and 5-HT7 serotonin receptors expressed in CHO-K1 cells (PerkinElmer) were used. For 5-HT6 receptor binding,...				J Enzyme Inhib Med Chem 25: 38-43 (2010) Article DOI: 10.3109/14756360902932784 BindingDB Entry DOI: 10.7270/Q2F76BDV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM232202 ((E)-N-Octyl-3-(3,4,5-trimethoxyphenyl) acrylamide ...) Show SMILES CCCCCCCCNC(=O)\C=C\c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C20H31NO4/c1-5-6-7-8-9-10-13-21-19(22)12-11-16-14-17(23-2)20(25-4)18(15-16)24-3/h11-12,14-15H,5-10,13H2,1-4H3,(H,21,22)/b12-11+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Northwest University Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from recombinant human 5-HT1A receptor expressed in CHO-K1 cell membranes after 60 mins by microbeta counting method				Eur J Med Chem 173: 213-227 (2019) Article DOI: 10.1016/j.ejmech.2019.04.009
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM232202 ((E)-N-Octyl-3-(3,4,5-trimethoxyphenyl) acrylamide ...) Show SMILES CCCCCCCCNC(=O)\C=C\c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C20H31NO4/c1-5-6-7-8-9-10-13-21-19(22)12-11-16-14-17(23-2)20(25-4)18(15-16)24-3/h11-12,14-15H,5-10,13H2,1-4H3,(H,21,22)/b12-11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Northwest University Curated by ChEMBL					Assay Description Displacement of [3H]Ketanserin from recombinant human 5-HT2A receptor expressed in CHO-K1 cell membranes after 60 mins				Eur J Med Chem 173: 213-227 (2019) Article DOI: 10.1016/j.ejmech.2019.04.009
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM232202 ((E)-N-Octyl-3-(3,4,5-trimethoxyphenyl) acrylamide ...) Show SMILES CCCCCCCCNC(=O)\C=C\c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C20H31NO4/c1-5-6-7-8-9-10-13-21-19(22)12-11-16-14-17(23-2)20(25-4)18(15-16)24-3/h11-12,14-15H,5-10,13H2,1-4H3,(H,21,22)/b12-11+	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Northwest University Curated by ChEMBL					Assay Description Displacement of [3H]Mesulergine from recombinant human 5-HT2C receptor expressed in CHO-K1 cell membranes after 60 mins				Eur J Med Chem 173: 213-227 (2019) Article DOI: 10.1016/j.ejmech.2019.04.009
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM232202 ((E)-N-Octyl-3-(3,4,5-trimethoxyphenyl) acrylamide ...) Show SMILES CCCCCCCCNC(=O)\C=C\c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C20H31NO4/c1-5-6-7-8-9-10-13-21-19(22)12-11-16-14-17(23-2)20(25-4)18(15-16)24-3/h11-12,14-15H,5-10,13H2,1-4H3,(H,21,22)/b12-11+	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Northwest University Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5-HT7 receptor expressed in CHO-K1 cell membranes after 60 mins				Eur J Med Chem 173: 213-227 (2019) Article DOI: 10.1016/j.ejmech.2019.04.009
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM232202 ((E)-N-Octyl-3-(3,4,5-trimethoxyphenyl) acrylamide ...) Show SMILES CCCCCCCCNC(=O)\C=C\c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C20H31NO4/c1-5-6-7-8-9-10-13-21-19(22)12-11-16-14-17(23-2)20(25-4)18(15-16)24-3/h11-12,14-15H,5-10,13H2,1-4H3,(H,21,22)/b12-11+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Northwest University Curated by ChEMBL					Assay Description Displacement of [3H]Imipramine from human 5-HT transporter expressed in HEK-293 cell membranes after 30 mins				Eur J Med Chem 173: 213-227 (2019) Article DOI: 10.1016/j.ejmech.2019.04.009
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM232202 ((E)-N-Octyl-3-(3,4,5-trimethoxyphenyl) acrylamide ...) Show SMILES CCCCCCCCNC(=O)\C=C\c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C20H31NO4/c1-5-6-7-8-9-10-13-21-19(22)12-11-16-14-17(23-2)20(25-4)18(15-16)24-3/h11-12,14-15H,5-10,13H2,1-4H3,(H,21,22)/b12-11+	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Northwest University Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5-HT6 receptor expressed in CHO-K1 cell membranes after 60 mins				Eur J Med Chem 173: 213-227 (2019) Article DOI: 10.1016/j.ejmech.2019.04.009
					More data for this Ligand-Target Pair