BDBM232204 3,4,5-Trimethoxycinnamic acid (TMCA)

SMILES: COc1cc(\C=C\C(O)=O)cc(OC)c1OC

InChI Key: InChIKey=YTFVRYKNXDADBI-SNAWJCMRSA-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 = 232204   

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))	BDBM232204 (3,4,5-Trimethoxycinnamic acid (TMCA)) Show SMILES COc1cc(\C=C\C(O)=O)cc(OC)c1OC Show InChI InChI=1S/C12H14O5/c1-15-9-6-8(4-5-11(13)14)7-10(16-2)12(9)17-3/h4-7H,1-3H3,(H,13,14)/b5-4+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.60E+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))	BDBM232204 (3,4,5-Trimethoxycinnamic acid (TMCA)) Show SMILES COc1cc(\C=C\C(O)=O)cc(OC)c1OC Show InChI InChI=1S/C12H14O5/c1-15-9-6-8(4-5-11(13)14)7-10(16-2)12(9)17-3/h4-7H,1-3H3,(H,13,14)/b5-4+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE 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))	BDBM232204 (3,4,5-Trimethoxycinnamic acid (TMCA)) Show SMILES COc1cc(\C=C\C(O)=O)cc(OC)c1OC Show InChI InChI=1S/C12H14O5/c1-15-9-6-8(4-5-11(13)14)7-10(16-2)12(9)17-3/h4-7H,1-3H3,(H,13,14)/b5-4+	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.50E+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))	BDBM232204 (3,4,5-Trimethoxycinnamic acid (TMCA)) Show SMILES COc1cc(\C=C\C(O)=O)cc(OC)c1OC Show InChI InChI=1S/C12H14O5/c1-15-9-6-8(4-5-11(13)14)7-10(16-2)12(9)17-3/h4-7H,1-3H3,(H,13,14)/b5-4+	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE 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))	BDBM232204 (3,4,5-Trimethoxycinnamic acid (TMCA)) Show SMILES COc1cc(\C=C\C(O)=O)cc(OC)c1OC Show InChI InChI=1S/C12H14O5/c1-15-9-6-8(4-5-11(13)14)7-10(16-2)12(9)17-3/h4-7H,1-3H3,(H,13,14)/b5-4+	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE 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
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM232204 (3,4,5-Trimethoxycinnamic acid (TMCA)) Show SMILES COc1cc(\C=C\C(O)=O)cc(OC)c1OC Show InChI InChI=1S/C12H14O5/c1-15-9-6-8(4-5-11(13)14)7-10(16-2)12(9)17-3/h4-7H,1-3H3,(H,13,14)/b5-4+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE 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 2A (Homo sapiens (Human))	BDBM232204 (3,4,5-Trimethoxycinnamic acid (TMCA)) Show SMILES COc1cc(\C=C\C(O)=O)cc(OC)c1OC Show InChI InChI=1S/C12H14O5/c1-15-9-6-8(4-5-11(13)14)7-10(16-2)12(9)17-3/h4-7H,1-3H3,(H,13,14)/b5-4+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE 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 6 (Homo sapiens (Human))	BDBM232204 (3,4,5-Trimethoxycinnamic acid (TMCA)) Show SMILES COc1cc(\C=C\C(O)=O)cc(OC)c1OC Show InChI InChI=1S/C12H14O5/c1-15-9-6-8(4-5-11(13)14)7-10(16-2)12(9)17-3/h4-7H,1-3H3,(H,13,14)/b5-4+	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE 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
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM232204 (3,4,5-Trimethoxycinnamic acid (TMCA)) Show SMILES COc1cc(\C=C\C(O)=O)cc(OC)c1OC Show InChI InChI=1S/C12H14O5/c1-15-9-6-8(4-5-11(13)14)7-10(16-2)12(9)17-3/h4-7H,1-3H3,(H,13,14)/b5-4+	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.50E+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))	BDBM232204 (3,4,5-Trimethoxycinnamic acid (TMCA)) Show SMILES COc1cc(\C=C\C(O)=O)cc(OC)c1OC Show InChI InChI=1S/C12H14O5/c1-15-9-6-8(4-5-11(13)14)7-10(16-2)12(9)17-3/h4-7H,1-3H3,(H,13,14)/b5-4+	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE 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
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM232204 (3,4,5-Trimethoxycinnamic acid (TMCA)) Show SMILES COc1cc(\C=C\C(O)=O)cc(OC)c1OC Show InChI InChI=1S/C12H14O5/c1-15-9-6-8(4-5-11(13)14)7-10(16-2)12(9)17-3/h4-7H,1-3H3,(H,13,14)/b5-4+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.60E+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