Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 419.3 BDBM68086

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))	BDBM68086 ((2-amino-5-nitro-pyrimidin-4-yl)-[[2,5-dimethyl-1-...) Show SMILES Cc1cc(CN=Nc2nc(N)ncc2[N+]([O-])=O)c(C)n1-c1cccc(c1)C(F)(F)F |w:5.4| Show InChI InChI=1S/C18H16F3N7O2/c1-10-6-12(8-24-26-16-15(28(29)30)9-23-17(22)25-16)11(2)27(10)14-5-3-4-13(7-14)18(19,20)21/h3-7,9H,8H2,1-2H3,(H2,22,23,25)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	200	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)	BDBM68086 ((2-amino-5-nitro-pyrimidin-4-yl)-[[2,5-dimethyl-1-...) Show SMILES Cc1cc(CN=Nc2nc(N)ncc2[N+]([O-])=O)c(C)n1-c1cccc(c1)C(F)(F)F |w:5.4| Show InChI InChI=1S/C18H16F3N7O2/c1-10-6-12(8-24-26-16-15(28(29)30)9-23-17(22)25-16)11(2)27(10)14-5-3-4-13(7-14)18(19,20)21/h3-7,9H,8H2,1-2H3,(H2,22,23,25)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	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)	BDBM68086 ((2-amino-5-nitro-pyrimidin-4-yl)-[[2,5-dimethyl-1-...) Show SMILES Cc1cc(CN=Nc2nc(N)ncc2[N+]([O-])=O)c(C)n1-c1cccc(c1)C(F)(F)F |w:5.4| Show InChI InChI=1S/C18H16F3N7O2/c1-10-6-12(8-24-26-16-15(28(29)30)9-23-17(22)25-16)11(2)27(10)14-5-3-4-13(7-14)18(19,20)21/h3-7,9H,8H2,1-2H3,(H2,22,23,25)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	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