BDBM50085531 3,4',5-trihydroxybibenzyl::5-(4-hydroxyphenethyl)benzene-1,3-diol::5-[2-(4-Hydroxy-phenyl)-ethyl]-benzene-1,3-diol::5-[2-(4-hydroxyphenyl)ethyl]benzene-1,3-diol::CHEMBL111234::alpha,beta-dihydro-3,40,5-trihydroxystilbene::dihydroresveratrol

SMILES: Oc1ccc(CCc2cc(O)cc(O)c2)cc1

InChI Key: InChIKey=HITJFUSPLYBJPE-UHFFFAOYSA-N

Data: 4 IC50  1 EC50

PDB links: 2 PDB IDs match this monomer.

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 = 50085531   

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
Leukotriene A4 hydrolase (Homo sapiens (Human))	BDBM50085531 (3,4',5-trihydroxybibenzyl | 5-(4-hydroxyphenethyl)...) Show SMILES Oc1ccc(CCc2cc(O)cc(O)c2)cc1 Show InChI InChI=1S/C14H14O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h3-9,15-17H,1-2H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.47E+5	n/a	n/a	n/a	n/a	n/a	n/a
deCODE biostructures, Inc. Curated by ChEMBL					Assay Description Inhibition of hydrolase activity of human recombinant LTA4H expressed in Escherichia coli BL21-AI/pRARE assessed as LTB4 formation by tandem quadrupo...				J Med Chem 52: 4694-715 (2009) Article DOI: 10.1021/jm900259h BindingDB Entry DOI: 10.7270/Q2F47P6N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Leukotriene A4 hydrolase (Homo sapiens (Human))	BDBM50085531 (3,4',5-trihydroxybibenzyl | 5-(4-hydroxyphenethyl)...) Show SMILES Oc1ccc(CCc2cc(O)cc(O)c2)cc1 Show InChI InChI=1S/C14H14O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h3-9,15-17H,1-2H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.45E+5	n/a	n/a	n/a	n/a	n/a	n/a
deCODE biostructures, Inc. Curated by ChEMBL					Assay Description Inhibition of peptidase activity of human recombinant LTA4H expressed in Escherichia coli BL21-AI/pRARE				J Med Chem 52: 4694-715 (2009) Article DOI: 10.1021/jm900259h BindingDB Entry DOI: 10.7270/Q2F47P6N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM50085531 (3,4',5-trihydroxybibenzyl | 5-(4-hydroxyphenethyl)...) Show SMILES Oc1ccc(CCc2cc(O)cc(O)c2)cc1 Show InChI InChI=1S/C14H14O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h3-9,15-17H,1-2H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a
Hyogo University of Health Sciences Curated by ChEMBL					Assay Description Agonist activity at human TRPA1 expressed in HEK293 cells assessed as induction of calcium influx at 30 uM after 6 mins by Fluo-4 dye-based assay				Bioorg Med Chem Lett 27: 3167-3172 (2017) Article DOI: 10.1016/j.bmcl.2017.05.025 BindingDB Entry DOI: 10.7270/Q2TH8Q4R
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM50085531 (3,4',5-trihydroxybibenzyl | 5-(4-hydroxyphenethyl)...) Show SMILES Oc1ccc(CCc2cc(O)cc(O)c2)cc1 Show InChI InChI=1S/C14H14O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h3-9,15-17H,1-2H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hyogo University of Health Sciences Curated by ChEMBL					Assay Description Inhibition of human TRPA1 expressed in HEK293 cells assessed as decrease in AITC-induced calcium influx preincubated for 6 mins followed by AITC addi...				Bioorg Med Chem Lett 27: 3167-3172 (2017) Article DOI: 10.1016/j.bmcl.2017.05.025 BindingDB Entry DOI: 10.7270/Q2TH8Q4R
					More data for this Ligand-Target Pair
Cytochrome P450 19A1 (Homo sapiens (Human))	BDBM50085531 (3,4',5-trihydroxybibenzyl | 5-(4-hydroxyphenethyl)...) Show SMILES Oc1ccc(CCc2cc(O)cc(O)c2)cc1 Show InChI InChI=1S/C14H14O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h3-9,15-17H,1-2H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of human aromatase using dibenzylfluorescein as substrate preincubated for 30 mins measured after 2 hrs by fluorimetry				Bioorg Med Chem 20: 510-20 (2011) Article DOI: 10.1016/j.bmc.2011.09.031 BindingDB Entry DOI: 10.7270/Q2X067GF
					More data for this Ligand-Target Pair