BindingDB PrimarySearch

BDBM50131688 (E)-4-(3,5-dimethoxystyryl)phenol::3,5-Dimethoxy-4'-hydroxyl-trans-stilbene::4'-hydroxy-3,5-dimethoxy stilbene::4-(3,5-dimethoxystyryl)phenol::4-[(E)-2-(3,5-Dimethoxy-phenyl)-vinyl]-phenol::4-[2-(3,5-Dimethoxy-phenyl)-vinyl]-phenol::CHEMBL83527::E 4-[2-(3,5-Dimethoxy-phenyl)-vinyl]-phenol::Pterostilben::Pterostilbene

SMILES: COc1cc(OC)cc(\C=C\c2ccc(O)cc2)c1

InChI Key: InChIKey=VLEUZFDZJKSGMX-ONEGZZNKSA-N

Data: 2 KI 11 IC50 1 EC50

PDB links: 2 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50131688
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Cytochrome P450 1A (Homo sapiens (Human))	BDBM50131688 ((E)-4-(3,5-dimethoxystyryl)phenol \| 3,5-Dimethoxy-...) Show SMILES COc1cc(OC)cc(\C=C\c2ccc(O)cc2)c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	570	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratory of Medicinal Chemistry, Endocrinology and Nephrology Unit, CHU de Qu�bec - Research Center, Qu�bec, Qu�bec, Canada; Department of Molecular Medicine, Faculty of Medicine, Universit� Laval, Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP1A1 expressed in supersomes coexpressing NADPH-CYP reductase using 7-ethoxyresorufin as substrate after 15 mins in...				Eur J Med Chem 135: 296-306 (2017) Article DOI: 10.1016/j.ejmech.2017.04.042 BindingDB Entry DOI: 10.7270/Q26Q20QW
					More data for this Ligand-Target Pair
Cytochrome P450 1B1 (Homo sapiens (Human))	BDBM50131688 ((E)-4-(3,5-dimethoxystyryl)phenol \| 3,5-Dimethoxy-...) Show SMILES COc1cc(OC)cc(\C=C\c2ccc(O)cc2)c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	910	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratory of Medicinal Chemistry, Endocrinology and Nephrology Unit, CHU de Qu�bec - Research Center, Qu�bec, Qu�bec, Canada; Department of Molecular Medicine, Faculty of Medicine, Universit� Laval, Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP1B1 expressed in supersomes coexpressing NADPH-CYP reductase using 7-ethoxyresorufin as substrate after 15 mins in...				Eur J Med Chem 135: 296-306 (2017) Article DOI: 10.1016/j.ejmech.2017.04.042 BindingDB Entry DOI: 10.7270/Q26Q20QW
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50131688 ((E)-4-(3,5-dimethoxystyryl)phenol \| 3,5-Dimethoxy-...) Show SMILES COc1cc(OC)cc(\C=C\c2ccc(O)cc2)c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza Universit£ di Roma Curated by ChEMBL					Assay Description Antagonist activity at human TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced increase of intracellular calcium level				Bioorg Med Chem Lett 26: 899-902 (2016) BindingDB Entry DOI: 10.7270/Q2765H6N
Sapienza Universit£ di Roma Curated by ChEMBL					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Rattus norvegicus)	BDBM50131688 ((E)-4-(3,5-dimethoxystyryl)phenol \| 3,5-Dimethoxy-...) Show SMILES COc1cc(OC)cc(\C=C\c2ccc(O)cc2)c1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza Universit£ di Roma Curated by ChEMBL					Assay Description Antagonist activity at rat TRPA1 expressed in HEK293 cells assessed as inhibition of allyl isothiocyanate-induced increase of intracellular calcium l...				Bioorg Med Chem Lett 26: 899-902 (2016) BindingDB Entry DOI: 10.7270/Q2765H6N
Sapienza Universit£ di Roma Curated by ChEMBL					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Rattus norvegicus)	BDBM50131688 ((E)-4-(3,5-dimethoxystyryl)phenol \| 3,5-Dimethoxy-...) Show SMILES COc1cc(OC)cc(\C=C\c2ccc(O)cc2)c1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a
Sapienza Universit£ di Roma Curated by ChEMBL					Assay Description Agonist activity at rat TRPA1 expressed in HEK293 cells assessed as induction of intracellular calcium level				Bioorg Med Chem Lett 26: 899-902 (2016) BindingDB Entry DOI: 10.7270/Q2765H6N
Sapienza Universit£ di Roma Curated by ChEMBL					More data for this Ligand-Target Pair
Bcr-Abl (Homo sapiens (Human))	BDBM50131688 ((E)-4-(3,5-dimethoxystyryl)phenol \| 3,5-Dimethoxy-...) Show SMILES COc1cc(OC)cc(\C=C\c2ccc(O)cc2)c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bologna Curated by ChEMBL					Assay Description Antiproliferative activity against human K562 cell line expressing Bcr-Abl				J Med Chem 49: 3012-8 (2006) Article DOI: 10.1021/jm060253o BindingDB Entry DOI: 10.7270/Q2R49RKZ
Universit£ di Bologna Curated by ChEMBL					More data for this Ligand-Target Pair
5-lipoxygenase/FLAP (Homo sapiens (Human))	BDBM50131688 ((E)-4-(3,5-dimethoxystyryl)phenol \| 3,5-Dimethoxy-...) Show SMILES COc1cc(OC)cc(\C=C\c2ccc(O)cc2)c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	9.32E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vellore Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human 5-LOX using arachidonic acid as substrate measured after 10 mins by ELISA				Bioorg Med Chem 27: 604-619 (2019) Article DOI: 10.1016/j.bmc.2018.12.043
Vellore Institute of Technology Curated by ChEMBL					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50131688 ((E)-4-(3,5-dimethoxystyryl)phenol \| 3,5-Dimethoxy-...) Show SMILES COc1cc(OC)cc(\C=C\c2ccc(O)cc2)c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of human quinone reductase 2 expressed in Escherichia coli BL21(DE3) using N-methyldihydronicotinamide as co-substrate				Bioorg Med Chem 21: 6022-37 (2013) Article DOI: 10.1016/j.bmc.2013.07.037 BindingDB Entry DOI: 10.7270/Q21R6RX0
Purdue University Curated by ChEMBL					More data for this Ligand-Target Pair
5-lipoxygenase/FLAP (Homo sapiens (Human))	BDBM50131688 ((E)-4-(3,5-dimethoxystyryl)phenol \| 3,5-Dimethoxy-...) Show SMILES COc1cc(OC)cc(\C=C\c2ccc(O)cc2)c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	530	n/a	n/a	n/a	n/a	n/a	n/a
University of Campania "L. Vanvitelli" Curated by ChEMBL					Assay Description Inhibition of 5-LOX in human PMNL cells assessed as A23187-stimulated LTB4 production preincubated for 15 mins followed by A23187 addition and measur...				Eur J Med Chem 180: 637-647 (2019) Article DOI: 10.1016/j.ejmech.2019.07.033
University of Campania "L. Vanvitelli" Curated by ChEMBL					More data for this Ligand-Target Pair
5-lipoxygenase/FLAP (Homo sapiens (Human))	BDBM50131688 ((E)-4-(3,5-dimethoxystyryl)phenol \| 3,5-Dimethoxy-...) Show SMILES COc1cc(OC)cc(\C=C\c2ccc(O)cc2)c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.91E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Campania "L. Vanvitelli" Curated by ChEMBL					Assay Description Inhibition of human 5-LOX expressed in Escherichia coli BL21 using arachidonic acid as substrate preincubated for 15 mins followed by substrate addit...				Eur J Med Chem 180: 637-647 (2019) Article DOI: 10.1016/j.ejmech.2019.07.033
University of Campania "L. Vanvitelli" Curated by ChEMBL					More data for this Ligand-Target Pair
5-lipoxygenase/FLAP (Homo sapiens (Human))	BDBM50131688 ((E)-4-(3,5-dimethoxystyryl)phenol \| 3,5-Dimethoxy-...) Show SMILES COc1cc(OC)cc(\C=C\c2ccc(O)cc2)c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	9.32E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vellore Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human 5-LOX using arachidonic acid as substrate measured after 10 mins by ELISA				Bioorg Med Chem 27: 604-619 (2019) Article DOI: 10.1016/j.bmc.2018.12.043
Vellore Institute of Technology Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM50131688 ((E)-4-(3,5-dimethoxystyryl)phenol \| 3,5-Dimethoxy-...) Show SMILES COc1cc(OC)cc(\C=C\c2ccc(O)cc2)c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	820	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of COX2				Bioorg Med Chem 17: 1044-54 (2009) Article DOI: 10.1016/j.bmc.2008.04.031 BindingDB Entry DOI: 10.7270/Q2WH2PRR
Purdue University Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human))	BDBM50131688 ((E)-4-(3,5-dimethoxystyryl)phenol \| 3,5-Dimethoxy-...) Show SMILES COc1cc(OC)cc(\C=C\c2ccc(O)cc2)c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of COX1				Bioorg Med Chem 17: 1044-54 (2009) Article DOI: 10.1016/j.bmc.2008.04.031 BindingDB Entry DOI: 10.7270/Q2WH2PRR
Purdue University Curated by ChEMBL					More data for this Ligand-Target Pair
P-glycoprotein 1 (Homo sapiens (Human))	BDBM50131688 ((E)-4-(3,5-dimethoxystyryl)phenol \| 3,5-Dimethoxy-...) Show SMILES COc1cc(OC)cc(\C=C\c2ccc(O)cc2)c1 Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bologna Curated by ChEMBL					Assay Description Antiproliferative activity against MDR human HL60R cell line				J Med Chem 49: 3012-8 (2006) Article DOI: 10.1021/jm060253o BindingDB Entry DOI: 10.7270/Q2R49RKZ
Universit£ di Bologna Curated by ChEMBL					More data for this Ligand-Target Pair