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Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 230.2
BDBM50085531

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 5 hits in this display
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
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	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE 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
Hyogo University of Health Sciences Curated by ChEMBL					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50085531 (3,4',5-trihydroxybibenzyl \| 5-(4-hydroxyphenethyl)...) Show SMILES Oc1ccc(CCc2cc(O)cc(O)c2)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE 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
Purdue University Curated by ChEMBL					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM50085531 (3,4',5-trihydroxybibenzyl \| 5-(4-hydroxyphenethyl)...) Show SMILES Oc1ccc(CCc2cc(O)cc(O)c2)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE 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
deCODE biostructures, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM50085531 (3,4',5-trihydroxybibenzyl \| 5-(4-hydroxyphenethyl)...) Show SMILES Oc1ccc(CCc2cc(O)cc(O)c2)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE 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
deCODE biostructures, Inc. Curated by ChEMBL					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	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE 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
Hyogo University of Health Sciences Curated by ChEMBL					More data for this Ligand-Target Pair