Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 386.5 BDBM67781Purchase

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)	BDBM67781 (3-methyl-8-(3-methylbutylsulfanyl)-7-(3-phenylprop...) Show SMILES CC(C)CCSc1nc2n(C)c(=O)[nH]c(=O)c2n1CCCc1ccccc1 Show InChI InChI=1S/C20H26N4O2S/c1-14(2)11-13-27-20-21-17-16(18(25)22-19(26)23(17)3)24(20)12-7-10-15-8-5-4-6-9-15/h4-6,8-9,14H,7,10-13H2,1-3H3,(H,22,25,26)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.35E+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
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM67781 (3-methyl-8-(3-methylbutylsulfanyl)-7-(3-phenylprop...) Show SMILES CC(C)CCSc1nc2n(C)c(=O)[nH]c(=O)c2n1CCCc1ccccc1 Show InChI InChI=1S/C20H26N4O2S/c1-14(2)11-13-27-20-21-17-16(18(25)22-19(26)23(17)3)24(20)12-7-10-15-8-5-4-6-9-15/h4-6,8-9,14H,7,10-13H2,1-3H3,(H,22,25,26)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.35E+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
X-box-binding protein 1 (Homo sapiens (Human))	BDBM67781 (3-methyl-8-(3-methylbutylsulfanyl)-7-(3-phenylprop...) Show SMILES CC(C)CCSc1nc2n(C)c(=O)[nH]c(=O)c2n1CCCc1ccccc1 Show InChI InChI=1S/C20H26N4O2S/c1-14(2)11-13-27-20-21-17-16(18(25)22-19(26)23(17)3)24(20)12-7-10-15-8-5-4-6-9-15/h4-6,8-9,14H,7,10-13H2,1-3H3,(H,22,25,26)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	9.48E+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