Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 322.3 BDBM68099Purchase

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))	BDBM68099 (2,2-dimethyl-N-[4-(4-oxidanylidene-3,1-benzoxazin-...) Show SMILES CC(C)(C)C(=O)Nc1ccc(cc1)-c1nc2ccccc2c(=O)o1 Show InChI InChI=1S/C19H18N2O3/c1-19(2,3)18(23)20-13-10-8-12(9-11-13)16-21-15-7-5-4-6-14(15)17(22)24-16/h4-11H,1-3H3,(H,20,23)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.64E+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)	BDBM68099 (2,2-dimethyl-N-[4-(4-oxidanylidene-3,1-benzoxazin-...) Show SMILES CC(C)(C)C(=O)Nc1ccc(cc1)-c1nc2ccccc2c(=O)o1 Show InChI InChI=1S/C19H18N2O3/c1-19(2,3)18(23)20-13-10-8-12(9-11-13)16-21-15-7-5-4-6-14(15)17(22)24-16/h4-11H,1-3H3,(H,20,23)	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)	BDBM68099 (2,2-dimethyl-N-[4-(4-oxidanylidene-3,1-benzoxazin-...) Show SMILES CC(C)(C)C(=O)Nc1ccc(cc1)-c1nc2ccccc2c(=O)o1 Show InChI InChI=1S/C19H18N2O3/c1-19(2,3)18(23)20-13-10-8-12(9-11-13)16-21-15-7-5-4-6-14(15)17(22)24-16/h4-11H,1-3H3,(H,20,23)	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