Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 437.4 BDBM67842

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))	BDBM67842 ((5Z)-2-methyl-5-[[5-[[[2-(4-methylanilino)-1,2-dio...) Show SMILES CCOC(=O)c1c(O)c(=Cc2ccc(CNC(=O)C(=O)Nc3ccc(C)cc3)o2)[nH]c1=C |w:9.9| Show InChI InChI=1S/C23H23N3O6/c1-4-31-23(30)19-14(3)25-18(20(19)27)11-16-9-10-17(32-16)12-24-21(28)22(29)26-15-7-5-13(2)6-8-15/h5-11,25,27H,3-4,12H2,1-2H3,(H,24,28)(H,26,29)/b18-11-	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	9.64E+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)	BDBM67842 ((5Z)-2-methyl-5-[[5-[[[2-(4-methylanilino)-1,2-dio...) Show SMILES CCOC(=O)c1c(O)c(=Cc2ccc(CNC(=O)C(=O)Nc3ccc(C)cc3)o2)[nH]c1=C |w:9.9| Show InChI InChI=1S/C23H23N3O6/c1-4-31-23(30)19-14(3)25-18(20(19)27)11-16-9-10-17(32-16)12-24-21(28)22(29)26-15-7-5-13(2)6-8-15/h5-11,25,27H,3-4,12H2,1-2H3,(H,24,28)(H,26,29)/b18-11-	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	9.83E+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/Q28C9TQN
					More data for this Ligand-Target Pair
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM67842 ((5Z)-2-methyl-5-[[5-[[[2-(4-methylanilino)-1,2-dio...) Show SMILES CCOC(=O)c1c(O)c(=Cc2ccc(CNC(=O)C(=O)Nc3ccc(C)cc3)o2)[nH]c1=C |w:9.9| Show InChI InChI=1S/C23H23N3O6/c1-4-31-23(30)19-14(3)25-18(20(19)27)11-16-9-10-17(32-16)12-24-21(28)22(29)26-15-7-5-13(2)6-8-15/h5-11,25,27H,3-4,12H2,1-2H3,(H,24,28)(H,26,29)/b18-11-	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	9.83E+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 (2010) BindingDB Entry DOI: 10.7270/Q2PC30VZ
					More data for this Ligand-Target Pair