Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 378.8 BDBM67710Purchase

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))	BDBM67710 (7-(4-chlorobenzyl)-3-methyl-8-(sec-butylthio)xanth...) Show SMILES CCC(C)Sc1nc2n(C)c(=O)[nH]c(=O)c2n1Cc1ccc(Cl)cc1 Show InChI InChI=1S/C17H19ClN4O2S/c1-4-10(2)25-17-19-14-13(15(23)20-16(24)21(14)3)22(17)9-11-5-7-12(18)8-6-11/h5-8,10H,4,9H2,1-3H3,(H,20,23,24)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.38E+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)	BDBM67710 (7-(4-chlorobenzyl)-3-methyl-8-(sec-butylthio)xanth...) Show SMILES CCC(C)Sc1nc2n(C)c(=O)[nH]c(=O)c2n1Cc1ccc(Cl)cc1 Show InChI InChI=1S/C17H19ClN4O2S/c1-4-10(2)25-17-19-14-13(15(23)20-16(24)21(14)3)22(17)9-11-5-7-12(18)8-6-11/h5-8,10H,4,9H2,1-3H3,(H,20,23,24)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	9.42E+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)	BDBM67710 (7-(4-chlorobenzyl)-3-methyl-8-(sec-butylthio)xanth...) Show SMILES CCC(C)Sc1nc2n(C)c(=O)[nH]c(=O)c2n1Cc1ccc(Cl)cc1 Show InChI InChI=1S/C17H19ClN4O2S/c1-4-10(2)25-17-19-14-13(15(23)20-16(24)21(14)3)22(17)9-11-5-7-12(18)8-6-11/h5-8,10H,4,9H2,1-3H3,(H,20,23,24)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	9.42E+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