Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 421.5 BDBM67909Purchase

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))	BDBM67909 (MLS000561303 | N-[2,5-diethoxy-4-(2-methylpropylca...) Show SMILES CCOc1cc(NC(=O)c2cccs2)c(OCC)cc1NC(=S)NCC(C)C Show InChI InChI=1S/C20H27N3O3S2/c1-5-25-16-11-15(23-20(27)21-12-13(3)4)17(26-6-2)10-14(16)22-19(24)18-8-7-9-28-18/h7-11,13H,5-6,12H2,1-4H3,(H,22,24)(H2,21,23,27)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	810	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)	BDBM67909 (MLS000561303 | N-[2,5-diethoxy-4-(2-methylpropylca...) Show SMILES CCOc1cc(NC(=O)c2cccs2)c(OCC)cc1NC(=S)NCC(C)C Show InChI InChI=1S/C20H27N3O3S2/c1-5-25-16-11-15(23-20(27)21-12-13(3)4)17(26-6-2)10-14(16)22-19(24)18-8-7-9-28-18/h7-11,13H,5-6,12H2,1-4H3,(H,22,24)(H2,21,23,27)	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)	BDBM67909 (MLS000561303 | N-[2,5-diethoxy-4-(2-methylpropylca...) Show SMILES CCOc1cc(NC(=O)c2cccs2)c(OCC)cc1NC(=S)NCC(C)C Show InChI InChI=1S/C20H27N3O3S2/c1-5-25-16-11-15(23-20(27)21-12-13(3)4)17(26-6-2)10-14(16)22-19(24)18-8-7-9-28-18/h7-11,13H,5-6,12H2,1-4H3,(H,22,24)(H2,21,23,27)	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