Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 309.3 BDBM67787Purchase

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)	BDBM67787 (1-methyl-N-(3-methylpyridin-2-yl)-2-oxidanyl-4-oxi...) Show SMILES Cc1cccnc1NC(=O)c1c(O)c2ccccc2n(C)c1=O Show InChI InChI=1S/C17H15N3O3/c1-10-6-5-9-18-15(10)19-16(22)13-14(21)11-7-3-4-8-12(11)20(2)17(13)23/h3-9,21H,1-2H3,(H,18,19,22)	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
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM67787 (1-methyl-N-(3-methylpyridin-2-yl)-2-oxidanyl-4-oxi...) Show SMILES Cc1cccnc1NC(=O)c1c(O)c2ccccc2n(C)c1=O Show InChI InChI=1S/C17H15N3O3/c1-10-6-5-9-18-15(10)19-16(22)13-14(21)11-7-3-4-8-12(11)20(2)17(13)23/h3-9,21H,1-2H3,(H,18,19,22)	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
X-box-binding protein 1 (Homo sapiens (Human))	BDBM67787 (1-methyl-N-(3-methylpyridin-2-yl)-2-oxidanyl-4-oxi...) Show SMILES Cc1cccnc1NC(=O)c1c(O)c2ccccc2n(C)c1=O Show InChI InChI=1S/C17H15N3O3/c1-10-6-5-9-18-15(10)19-16(22)13-14(21)11-7-3-4-8-12(11)20(2)17(13)23/h3-9,21H,1-2H3,(H,18,19,22)	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