Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 332.4 BDBM67765Purchase

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))	BDBM67765 (MLS000061227 | N-(3-aminocarbonyl-6-ethyl-4,5,6,7-...) Show SMILES CCC1CCc2c(C1)sc(NC(=O)c1ccoc1C)c2C(N)=O Show InChI InChI=1S/C17H20N2O3S/c1-3-10-4-5-12-13(8-10)23-17(14(12)15(18)20)19-16(21)11-6-7-22-9(11)2/h6-7,10H,3-5,8H2,1-2H3,(H2,18,20)(H,19,21)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.48E+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)	BDBM67765 (MLS000061227 | N-(3-aminocarbonyl-6-ethyl-4,5,6,7-...) Show SMILES CCC1CCc2c(C1)sc(NC(=O)c1ccoc1C)c2C(N)=O Show InChI InChI=1S/C17H20N2O3S/c1-3-10-4-5-12-13(8-10)23-17(14(12)15(18)20)19-16(21)11-6-7-22-9(11)2/h6-7,10H,3-5,8H2,1-2H3,(H2,18,20)(H,19,21)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	9.23E+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)	BDBM67765 (MLS000061227 | N-(3-aminocarbonyl-6-ethyl-4,5,6,7-...) Show SMILES CCC1CCc2c(C1)sc(NC(=O)c1ccoc1C)c2C(N)=O Show InChI InChI=1S/C17H20N2O3S/c1-3-10-4-5-12-13(8-10)23-17(14(12)15(18)20)19-16(21)11-6-7-22-9(11)2/h6-7,10H,3-5,8H2,1-2H3,(H2,18,20)(H,19,21)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	9.23E+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