SMILES String Search

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 456.4
BDBM43491

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

Found 8 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
X-box-binding protein 1 (Homo sapiens (Human))	BDBM43491 ((3E,5E)-3,5-bis(3,4,5-trimethoxybenzylidene)tetrah...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	910	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2NK3CGB
					More data for this Ligand-Target Pair
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM43491 ((3E,5E)-3,5-bis(3,4,5-trimethoxybenzylidene)tetrah...) Show SMILES Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	2.11E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q28C9TQN
					More data for this Ligand-Target Pair
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM43491 ((3E,5E)-3,5-bis(3,4,5-trimethoxybenzylidene)tetrah...) Show SMILES Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	2.11E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2PC30VZ
					More data for this Ligand-Target Pair
Lymphocyte antigen 96 (Homo sapiens (Human))	BDBM43491 ((3E,5E)-3,5-bis(3,4,5-trimethoxybenzylidene)tetrah...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	7.11E+4	n/a	n/a	n/a	n/a	n/a
Wenzhou Medical University Curated by ChEMBL					Assay Description Binding affinity to recombinant human MD2 by SPR analysis				Eur J Med Chem 148: 291-305 (2018) Article DOI: 10.1016/j.ejmech.2018.02.008 BindingDB Entry DOI: 10.7270/Q23X897R
Wenzhou Medical University Curated by ChEMBL					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM43491 ((3E,5E)-3,5-bis(3,4,5-trimethoxybenzylidene)tetrah...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	n/a	n/a	220	n/a	n/a	n/a	n/a
PCMD Curated by PubChem BioAssay					Assay Description Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2G73C3D
PCMD Curated by PubChem BioAssay					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM43491 ((3E,5E)-3,5-bis(3,4,5-trimethoxybenzylidene)tetrah...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	n/a	n/a	6.48E+5	n/a	n/a	n/a	n/a
PCMD Curated by PubChem BioAssay					Assay Description Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2KW5DG0
PCMD Curated by PubChem BioAssay					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM43491 ((3E,5E)-3,5-bis(3,4,5-trimethoxybenzylidene)tetrah...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.82E+5	n/a	n/a	n/a	n/a
PCMD Curated by PubChem BioAssay					Assay Description Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q21J984Z
PCMD Curated by PubChem BioAssay					More data for this Ligand-Target Pair
Heat shock factor protein 1 (Mus musculus)	BDBM43491 ((3E,5E)-3,5-bis(3,4,5-trimethoxybenzylidene)tetrah...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	n/a	n/a	>1.95E+5	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2MW2FKX
Broad Institute Curated by PubChem BioAssay					More data for this Ligand-Target Pair