Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 458.5 BDBM68024Purchase

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

Found 3 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)	BDBM68024 (2-[2-[(3,4-dimethoxyphenyl)methyl]-1-benzimidazoly...) Show SMILES COc1ccc(Cc2nc3ccccc3n2CC(=O)NN=Cc2ccc(C)cc2O)cc1OC |w:20.21| Show InChI InChI=1S/C26H26N4O4/c1-17-8-10-19(22(31)12-17)15-27-29-26(32)16-30-21-7-5-4-6-20(21)28-25(30)14-18-9-11-23(33-2)24(13-18)34-3/h4-13,15,31H,14,16H2,1-3H3,(H,29,32)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	450	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)	BDBM68024 (2-[2-[(3,4-dimethoxyphenyl)methyl]-1-benzimidazoly...) Show SMILES COc1ccc(Cc2nc3ccccc3n2CC(=O)NN=Cc2ccc(C)cc2O)cc1OC |w:20.21| Show InChI InChI=1S/C26H26N4O4/c1-17-8-10-19(22(31)12-17)15-27-29-26(32)16-30-21-7-5-4-6-20(21)28-25(30)14-18-9-11-23(33-2)24(13-18)34-3/h4-13,15,31H,14,16H2,1-3H3,(H,29,32)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	450	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))	BDBM68024 (2-[2-[(3,4-dimethoxyphenyl)methyl]-1-benzimidazoly...) Show SMILES COc1ccc(Cc2nc3ccccc3n2CC(=O)NN=Cc2ccc(C)cc2O)cc1OC |w:20.21| Show InChI InChI=1S/C26H26N4O4/c1-17-8-10-19(22(31)12-17)15-27-29-26(32)16-30-21-7-5-4-6-20(21)28-25(30)14-18-9-11-23(33-2)24(13-18)34-3/h4-13,15,31H,14,16H2,1-3H3,(H,29,32)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.00E+4	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