BDBM50341139 CHEMBL1760551::N-Sinapoyl serotonin

SMILES: COc1cc(\C=C\C(=O)NCCc2c[nH]c3ccc(O)cc23)cc(OC)c1O

InChI Key: InChIKey=ADXYVJDZSILCMZ-ZZXKWVIFSA-N

Data: 1 KI  4 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 5 hits for monomerid = 50341139   

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-glucosidase MAL62 (Saccharomyces cerevisiae)	BDBM50341139 (CHEMBL1760551 | N-Sinapoyl serotonin) Show SMILES COc1cc(\C=C\C(=O)NCCc2c[nH]c3ccc(O)cc23)cc(OC)c1O Show InChI InChI=1S/C21H22N2O5/c1-27-18-9-13(10-19(28-2)21(18)26)3-6-20(25)22-8-7-14-12-23-17-5-4-15(24)11-16(14)17/h3-6,9-12,23-24,26H,7-8H2,1-2H3,(H,22,25)/b6-3+	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.12E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Mixed-type inhibition of yeast alpha-glucosidase by Lineweaver-Burk plot analysis				Citation and Details Article DOI: 10.1007/s00044-011-9699-9 BindingDB Entry DOI: 10.7270/Q2930X2H
					More data for this Ligand-Target Pair
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human))	BDBM50341139 (CHEMBL1760551 | N-Sinapoyl serotonin) Show SMILES COc1cc(\C=C\C(=O)NCCc2c[nH]c3ccc(O)cc23)cc(OC)c1O Show InChI InChI=1S/C21H22N2O5/c1-27-18-9-13(10-19(28-2)21(18)26)3-6-20(25)22-8-7-14-12-23-17-5-4-15(24)11-16(14)17/h3-6,9-12,23-24,26H,7-8H2,1-2H3,(H,22,25)/b6-3+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>4.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kinki University Curated by ChEMBL					Assay Description Inhibition of COX1 after 5 mins by spectrophotometric analysis				Bioorg Med Chem Lett 22: 2494-6 (2012) Article DOI: 10.1016/j.bmcl.2012.02.002 BindingDB Entry DOI: 10.7270/Q28W3F9M
					More data for this Ligand-Target Pair
Alpha-glucosidase MAL62 (Saccharomyces cerevisiae)	BDBM50341139 (CHEMBL1760551 | N-Sinapoyl serotonin) Show SMILES COc1cc(\C=C\C(=O)NCCc2c[nH]c3ccc(O)cc23)cc(OC)c1O Show InChI InChI=1S/C21H22N2O5/c1-27-18-9-13(10-19(28-2)21(18)26)3-6-20(25)22-8-7-14-12-23-17-5-4-15(24)11-16(14)17/h3-6,9-12,23-24,26H,7-8H2,1-2H3,(H,22,25)/b6-3+	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	6.62E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of yeast alpha-glucosidase using p-nitrophenyl-alpha-D-glucopyranoside as substrate preincubated for 10 min before substrate addition and ...				Citation and Details Article DOI: 10.1007/s00044-011-9699-9 BindingDB Entry DOI: 10.7270/Q2930X2H
					More data for this Ligand-Target Pair
Tyrosinase (Agaricus bisporus (Common mushroom))	BDBM50341139 (CHEMBL1760551 | N-Sinapoyl serotonin) Show SMILES COc1cc(\C=C\C(=O)NCCc2c[nH]c3ccc(O)cc23)cc(OC)c1O Show InChI InChI=1S/C21H22N2O5/c1-27-18-9-13(10-19(28-2)21(18)26)3-6-20(25)22-8-7-14-12-23-17-5-4-15(24)11-16(14)17/h3-6,9-12,23-24,26H,7-8H2,1-2H3,(H,22,25)/b6-3+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kinki University Curated by ChEMBL					Assay Description Inhibition of mushroom tyrosinase after 25 mins by spectrophotometry				Bioorg Med Chem Lett 21: 1983-6 (2011) Article DOI: 10.1016/j.bmcl.2011.02.028 BindingDB Entry DOI: 10.7270/Q2T43TCF
					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM50341139 (CHEMBL1760551 | N-Sinapoyl serotonin) Show SMILES COc1cc(\C=C\C(=O)NCCc2c[nH]c3ccc(O)cc23)cc(OC)c1O Show InChI InChI=1S/C21H22N2O5/c1-27-18-9-13(10-19(28-2)21(18)26)3-6-20(25)22-8-7-14-12-23-17-5-4-15(24)11-16(14)17/h3-6,9-12,23-24,26H,7-8H2,1-2H3,(H,22,25)/b6-3+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>4.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kinki University Curated by ChEMBL					Assay Description Inhibition of COX2 after 5 mins by spectrophotometric analysis				Bioorg Med Chem Lett 22: 2494-6 (2012) Article DOI: 10.1016/j.bmcl.2012.02.002 BindingDB Entry DOI: 10.7270/Q28W3F9M
					More data for this Ligand-Target Pair