BDBM50021464 CHEMBL3289930

SMILES: CCOC(OCC)c1ccc(\C=C2/CC\C(=C/c3ccc(cc3)C(OCC)OCC)C2=O)cc1

InChI Key: InChIKey=IGIVWVRRRYBFGO-FQHZWJPGSA-N

Data: 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 4 hits for monomerid = 50021464   

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
Acetylcholinesterase (Homo sapiens (Human))	BDBM50021464 (CHEMBL3289930) Show SMILES CCOC(OCC)c1ccc(\C=C2/CC\C(=C/c3ccc(cc3)C(OCC)OCC)C2=O)cc1 Show InChI InChI=1S/C29H36O5/c1-5-31-28(32-6-2)23-13-9-21(10-14-23)19-25-17-18-26(27(25)30)20-22-11-15-24(16-12-22)29(33-7-3)34-8-4/h9-16,19-20,28-29H,5-8,17-18H2,1-4H3/b25-19+,26-20+	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	7.66E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Kebangsaan Malaysia Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) after 5 mins by Ellman's method				Eur J Med Chem 83: 355-65 (2014) Article DOI: 10.1016/j.ejmech.2014.06.034 BindingDB Entry DOI: 10.7270/Q2862J10
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50021464 (CHEMBL3289930) Show SMILES CCOC(OCC)c1ccc(\C=C2/CC\C(=C/c3ccc(cc3)C(OCC)OCC)C2=O)cc1 Show InChI InChI=1S/C29H36O5/c1-5-31-28(32-6-2)23-13-9-21(10-14-23)19-25-17-18-26(27(25)30)20-22-11-15-24(16-12-22)29(33-7-3)34-8-4/h9-16,19-20,28-29H,5-8,17-18H2,1-4H3/b25-19+,26-20+	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.73E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Kebangsaan Malaysia Curated by ChEMBL					Assay Description Inhibition of ovine COX1 using arachidonic acid substrate assessed as PGE2 production ELISA method after 2 mins				Bioorg Med Chem 22: 4151-61 (2014) Article DOI: 10.1016/j.bmc.2014.05.052 BindingDB Entry DOI: 10.7270/Q2GX4D6F
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50021464 (CHEMBL3289930) Show SMILES CCOC(OCC)c1ccc(\C=C2/CC\C(=C/c3ccc(cc3)C(OCC)OCC)C2=O)cc1 Show InChI InChI=1S/C29H36O5/c1-5-31-28(32-6-2)23-13-9-21(10-14-23)19-25-17-18-26(27(25)30)20-22-11-15-24(16-12-22)29(33-7-3)34-8-4/h9-16,19-20,28-29H,5-8,17-18H2,1-4H3/b25-19+,26-20+	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	1.48E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Kebangsaan Malaysia Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 using arachidonic acid substrate assessed as PGE2 production ELISA method after 2 mins				Bioorg Med Chem 22: 4151-61 (2014) Article DOI: 10.1016/j.bmc.2014.05.052 BindingDB Entry DOI: 10.7270/Q2GX4D6F
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50021464 (CHEMBL3289930) Show SMILES CCOC(OCC)c1ccc(\C=C2/CC\C(=C/c3ccc(cc3)C(OCC)OCC)C2=O)cc1 Show InChI InChI=1S/C29H36O5/c1-5-31-28(32-6-2)23-13-9-21(10-14-23)19-25-17-18-26(27(25)30)20-22-11-15-24(16-12-22)29(33-7-3)34-8-4/h9-16,19-20,28-29H,5-8,17-18H2,1-4H3/b25-19+,26-20+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.47E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Kebangsaan Malaysia Curated by ChEMBL					Assay Description Inhibition of BuChE (unknown origin) after 5 mins by Ellman's method				Eur J Med Chem 83: 355-65 (2014) Article DOI: 10.1016/j.ejmech.2014.06.034 BindingDB Entry DOI: 10.7270/Q2862J10
					More data for this Ligand-Target Pair