Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 342.4 BDBM68105Purchase

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))	BDBM68105 (MLS000690519 | N-[(2-hydroxy-5-isopropyl-phenyl)th...) Show SMILES CC(C)c1ccc(O)c(NC(=S)NC(=O)CCc2ccccc2)c1 Show InChI InChI=1S/C19H22N2O2S/c1-13(2)15-9-10-17(22)16(12-15)20-19(24)21-18(23)11-8-14-6-4-3-5-7-14/h3-7,9-10,12-13,22H,8,11H2,1-2H3,(H2,20,21,23,24)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	7.76E+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)	BDBM68105 (MLS000690519 | N-[(2-hydroxy-5-isopropyl-phenyl)th...) Show SMILES CC(C)c1ccc(O)c(NC(=S)NC(=O)CCc2ccccc2)c1 Show InChI InChI=1S/C19H22N2O2S/c1-13(2)15-9-10-17(22)16(12-15)20-19(24)21-18(23)11-8-14-6-4-3-5-7-14/h3-7,9-10,12-13,22H,8,11H2,1-2H3,(H2,20,21,23,24)	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)	BDBM68105 (MLS000690519 | N-[(2-hydroxy-5-isopropyl-phenyl)th...) Show SMILES CC(C)c1ccc(O)c(NC(=S)NC(=O)CCc2ccccc2)c1 Show InChI InChI=1S/C19H22N2O2S/c1-13(2)15-9-10-17(22)16(12-15)20-19(24)21-18(23)11-8-14-6-4-3-5-7-14/h3-7,9-10,12-13,22H,8,11H2,1-2H3,(H2,20,21,23,24)	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