Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 324.4 BDBM67704Purchase

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))	BDBM67704 (7-Hexyl-3-methyl-8-propylsulfanyl-3,7-dihydro-puri...) Show SMILES CCCCCCn1c(SCCC)nc2n(C)c(=O)[nH]c(=O)c12 Show InChI InChI=1S/C15H24N4O2S/c1-4-6-7-8-9-19-11-12(16-15(19)22-10-5-2)18(3)14(21)17-13(11)20/h4-10H2,1-3H3,(H,17,20,21)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	630	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)	BDBM67704 (7-Hexyl-3-methyl-8-propylsulfanyl-3,7-dihydro-puri...) Show SMILES CCCCCCn1c(SCCC)nc2n(C)c(=O)[nH]c(=O)c12 Show InChI InChI=1S/C15H24N4O2S/c1-4-6-7-8-9-19-11-12(16-15(19)22-10-5-2)18(3)14(21)17-13(11)20/h4-10H2,1-3H3,(H,17,20,21)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.54E+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)	BDBM67704 (7-Hexyl-3-methyl-8-propylsulfanyl-3,7-dihydro-puri...) Show SMILES CCCCCCn1c(SCCC)nc2n(C)c(=O)[nH]c(=O)c12 Show InChI InChI=1S/C15H24N4O2S/c1-4-6-7-8-9-19-11-12(16-15(19)22-10-5-2)18(3)14(21)17-13(11)20/h4-10H2,1-3H3,(H,17,20,21)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.54E+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