BDBM50059985 1,7-Bis-(4-hydroxy-3-methoxy-phenyl)-heptane-3,5-dione::CHEMBL318743::tetrahydrocurcumin

SMILES: COc1cc(CCC(=O)CC(=O)CCc2ccc(O)c(OC)c2)ccc1O

InChI Key: InChIKey=LBTVHXHERHESKG-UHFFFAOYSA-N

Data: 5 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 = 50059985   

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
Integrase (Human immunodeficiency virus 1)	BDBM50059985 (1,7-Bis-(4-hydroxy-3-methoxy-phenyl)-heptane-3,5-d...) Show SMILES COc1cc(CCC(=O)CC(=O)CCc2ccc(O)c(OC)c2)ccc1O Show InChI InChI=1S/C21H24O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h5-6,9-12,24-25H,3-4,7-8,13H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of 3'- processing activity of HIV-1 integrase				J Med Chem 40: 3057-63 (1997) Article DOI: 10.1021/jm970190x BindingDB Entry DOI: 10.7270/Q22Z166F
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50059985 (1,7-Bis-(4-hydroxy-3-methoxy-phenyl)-heptane-3,5-d...) Show SMILES COc1cc(CCC(=O)CC(=O)CCc2ccc(O)c(OC)c2)ccc1O Show InChI InChI=1S/C21H24O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h5-6,9-12,24-25H,3-4,7-8,13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University Jena Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-LO expressed in Escherichia coli Bl21 (DE3) using arachidonic acid as substrate preincubated for 10 mins measured a...				J Med Chem 57: 5638-48 (2014) Article DOI: 10.1021/jm500308c BindingDB Entry DOI: 10.7270/Q2HT2QWN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50059985 (1,7-Bis-(4-hydroxy-3-methoxy-phenyl)-heptane-3,5-d...) Show SMILES COc1cc(CCC(=O)CC(=O)CCc2ccc(O)c(OC)c2)ccc1O Show InChI InChI=1S/C21H24O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h5-6,9-12,24-25H,3-4,7-8,13H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.12E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ramkhamhaeng University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate after 15 mins by Ellman's method				Bioorg Med Chem Lett 23: 2880-2 (2013) Article DOI: 10.1016/j.bmcl.2013.03.069 BindingDB Entry DOI: 10.7270/Q22Z16WD
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50059985 (1,7-Bis-(4-hydroxy-3-methoxy-phenyl)-heptane-3,5-d...) Show SMILES COc1cc(CCC(=O)CC(=O)CCc2ccc(O)c(OC)c2)ccc1O Show InChI InChI=1S/C21H24O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h5-6,9-12,24-25H,3-4,7-8,13H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of strand transfer activity of HIV-1 integrase				J Med Chem 40: 3057-63 (1997) Article DOI: 10.1021/jm970190x BindingDB Entry DOI: 10.7270/Q22Z166F
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50059985 (1,7-Bis-(4-hydroxy-3-methoxy-phenyl)-heptane-3,5-d...) Show SMILES COc1cc(CCC(=O)CC(=O)CCc2ccc(O)c(OC)c2)ccc1O Show InChI InChI=1S/C21H24O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h5-6,9-12,24-25H,3-4,7-8,13H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University Jena Curated by ChEMBL					Assay Description Inhibition of STAT3 transcriptional activity in human HaCaT cells after 6 hrs by luciferase reporter gene assay				J Med Chem 57: 5638-48 (2014) Article DOI: 10.1021/jm500308c BindingDB Entry DOI: 10.7270/Q2HT2QWN
					More data for this Ligand-Target Pair