Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 310.4 BDBM68096Purchase

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
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM68096 (3-(1-benzylpropyl)-2-thioxo-1H-quinazolin-4-one | ...) Show SMILES CCC(Cc1ccccc1)n1c(=S)[nH]c2ccccc2c1=O Show InChI InChI=1S/C18H18N2OS/c1-2-14(12-13-8-4-3-5-9-13)20-17(21)15-10-6-7-11-16(15)19-18(20)22/h3-11,14H,2,12H2,1H3,(H,19,22)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	570	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
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM68096 (3-(1-benzylpropyl)-2-thioxo-1H-quinazolin-4-one | ...) Show SMILES CCC(Cc1ccccc1)n1c(=S)[nH]c2ccccc2c1=O Show InChI InChI=1S/C18H18N2OS/c1-2-14(12-13-8-4-3-5-9-13)20-17(21)15-10-6-7-11-16(15)19-18(20)22/h3-11,14H,2,12H2,1H3,(H,19,22)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	570	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
X-box-binding protein 1 (Homo sapiens (Human))	BDBM68096 (3-(1-benzylpropyl)-2-thioxo-1H-quinazolin-4-one | ...) Show SMILES CCC(Cc1ccccc1)n1c(=S)[nH]c2ccccc2c1=O Show InChI InChI=1S/C18H18N2OS/c1-2-14(12-13-8-4-3-5-9-13)20-17(21)15-10-6-7-11-16(15)19-18(20)22/h3-11,14H,2,12H2,1H3,(H,19,22)	PDB KEGG UniProtKB/SwissProt antibodypedia 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/Q2NK3CGB
					More data for this Ligand-Target Pair