Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 438.4 BDBM67884Purchase

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
X-box-binding protein 1 (Homo sapiens (Human))	BDBM67884 (3-benzyl-7-methyl-8-(3-phenylmethoxyphenyl)purine-...) Show SMILES Cn1c(nc2n(Cc3ccccc3)c(=O)[nH]c(=O)c12)-c1cccc(OCc2ccccc2)c1 Show InChI InChI=1S/C26H22N4O3/c1-29-22-24(30(26(32)28-25(22)31)16-18-9-4-2-5-10-18)27-23(29)20-13-8-14-21(15-20)33-17-19-11-6-3-7-12-19/h2-15H,16-17H2,1H3,(H,28,31,32)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.37E+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
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM67884 (3-benzyl-7-methyl-8-(3-phenylmethoxyphenyl)purine-...) Show SMILES Cn1c(nc2n(Cc3ccccc3)c(=O)[nH]c(=O)c12)-c1cccc(OCc2ccccc2)c1 Show InChI InChI=1S/C26H22N4O3/c1-29-22-24(30(26(32)28-25(22)31)16-18-9-4-2-5-10-18)27-23(29)20-13-8-14-21(15-20)33-17-19-11-6-3-7-12-19/h2-15H,16-17H2,1H3,(H,28,31,32)	KEGG UniProtKB/SwissProt 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/Q28C9TQN
					More data for this Ligand-Target Pair
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM67884 (3-benzyl-7-methyl-8-(3-phenylmethoxyphenyl)purine-...) Show SMILES Cn1c(nc2n(Cc3ccccc3)c(=O)[nH]c(=O)c12)-c1cccc(OCc2ccccc2)c1 Show InChI InChI=1S/C26H22N4O3/c1-29-22-24(30(26(32)28-25(22)31)16-18-9-4-2-5-10-18)27-23(29)20-13-8-14-21(15-20)33-17-19-11-6-3-7-12-19/h2-15H,16-17H2,1H3,(H,28,31,32)	KEGG UniProtKB/SwissProt 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 (2010) BindingDB Entry DOI: 10.7270/Q2PC30VZ
					More data for this Ligand-Target Pair