Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 418.3 BDBM53603Purchase

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

Found 4 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	koff s-1	kon M-1s-1	pH	Temp °C
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM53603 (4-({4-[(2,4-dichlorobenzyl)oxy]-3-ethoxybenzyl}ami...) Show SMILES CCOc1cc(CNc2ccc(O)cc2)ccc1OCc1ccc(Cl)cc1Cl Show InChI InChI=1S/C22H21Cl2NO3/c1-2-27-22-11-15(13-25-18-6-8-19(26)9-7-18)3-10-21(22)28-14-16-4-5-17(23)12-20(16)24/h3-12,25-26H,2,13-14H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.45E+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
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM53603 (4-({4-[(2,4-dichlorobenzyl)oxy]-3-ethoxybenzyl}ami...) Show SMILES CCOc1cc(CNc2ccc(O)cc2)ccc1OCc1ccc(Cl)cc1Cl Show InChI InChI=1S/C22H21Cl2NO3/c1-2-27-22-11-15(13-25-18-6-8-19(26)9-7-18)3-10-21(22)28-14-16-4-5-17(23)12-20(16)24/h3-12,25-26H,2,13-14H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.45E+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
X-box-binding protein 1 (Homo sapiens (Human))	BDBM53603 (4-({4-[(2,4-dichlorobenzyl)oxy]-3-ethoxybenzyl}ami...) Show SMILES CCOc1cc(CNc2ccc(O)cc2)ccc1OCc1ccc(Cl)cc1Cl Show InChI InChI=1S/C22H21Cl2NO3/c1-2-27-22-11-15(13-25-18-6-8-19(26)9-7-18)3-10-21(22)28-14-16-4-5-17(23)12-20(16)24/h3-12,25-26H,2,13-14H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	6.12E+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/Q2NK3CGB
					More data for this Ligand-Target Pair
Mannose-6-phosphate isomerase (Homo sapiens (Human))	BDBM53603 (4-({4-[(2,4-dichlorobenzyl)oxy]-3-ethoxybenzyl}ami...) Show SMILES CCOc1cc(CNc2ccc(O)cc2)ccc1OCc1ccc(Cl)cc1Cl Show InChI InChI=1S/C22H21Cl2NO3/c1-2-27-22-11-15(13-25-18-6-8-19(26)9-7-18)3-10-21(22)28-14-16-4-5-17(23)12-20(16)24/h3-12,25-26H,2,13-14H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2C827QV
					More data for this Ligand-Target Pair