Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 338.4 BDBM67712Purchase

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)	BDBM67712 (3-Methyl-8-(3-methyl-butylsulfanyl)-7-pentyl-3,7-d...) Show SMILES CCCCCn1c(SCCC(C)C)nc2n(C)c(=O)[nH]c(=O)c12 Show InChI InChI=1S/C16H26N4O2S/c1-5-6-7-9-20-12-13(19(4)15(22)18-14(12)21)17-16(20)23-10-8-11(2)3/h11H,5-10H2,1-4H3,(H,18,21,22)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	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
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM67712 (3-Methyl-8-(3-methyl-butylsulfanyl)-7-pentyl-3,7-d...) Show SMILES CCCCCn1c(SCCC(C)C)nc2n(C)c(=O)[nH]c(=O)c12 Show InChI InChI=1S/C16H26N4O2S/c1-5-6-7-9-20-12-13(19(4)15(22)18-14(12)21)17-16(20)23-10-8-11(2)3/h11H,5-10H2,1-4H3,(H,18,21,22)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	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
X-box-binding protein 1 (Homo sapiens (Human))	BDBM67712 (3-Methyl-8-(3-methyl-butylsulfanyl)-7-pentyl-3,7-d...) Show SMILES CCCCCn1c(SCCC(C)C)nc2n(C)c(=O)[nH]c(=O)c12 Show InChI InChI=1S/C16H26N4O2S/c1-5-6-7-9-20-12-13(19(4)15(22)18-14(12)21)17-16(20)23-10-8-11(2)3/h11H,5-10H2,1-4H3,(H,18,21,22)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	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