Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 421.4 BDBM67984Purchase

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))	BDBM67984 (2-[2-(2-Fluoro-phenyl)-9H-purin-6-ylsulfanyl]-N-(4...) Show SMILES CC(C)c1ccc(NC(=O)CSc2nc(nc3nc[nH]c23)-c2ccccc2F)cc1 Show InChI InChI=1S/C22H20FN5OS/c1-13(2)14-7-9-15(10-8-14)26-18(29)11-30-22-19-21(25-12-24-19)27-20(28-22)16-5-3-4-6-17(16)23/h3-10,12-13H,11H2,1-2H3,(H,26,29)(H,24,25,27,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	2.76E+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)	BDBM67984 (2-[2-(2-Fluoro-phenyl)-9H-purin-6-ylsulfanyl]-N-(4...) Show SMILES CC(C)c1ccc(NC(=O)CSc2nc(nc3nc[nH]c23)-c2ccccc2F)cc1 Show InChI InChI=1S/C22H20FN5OS/c1-13(2)14-7-9-15(10-8-14)26-18(29)11-30-22-19-21(25-12-24-19)27-20(28-22)16-5-3-4-6-17(16)23/h3-10,12-13H,11H2,1-2H3,(H,26,29)(H,24,25,27,28)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	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)	BDBM67984 (2-[2-(2-Fluoro-phenyl)-9H-purin-6-ylsulfanyl]-N-(4...) Show SMILES CC(C)c1ccc(NC(=O)CSc2nc(nc3nc[nH]c23)-c2ccccc2F)cc1 Show InChI InChI=1S/C22H20FN5OS/c1-13(2)14-7-9-15(10-8-14)26-18(29)11-30-22-19-21(25-12-24-19)27-20(28-22)16-5-3-4-6-17(16)23/h3-10,12-13H,11H2,1-2H3,(H,26,29)(H,24,25,27,28)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	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