BDBM67717 8-[(4-chlorobenzyl)thio]-7-isoamyl-3-methyl-xanthine::8-[(4-chlorophenyl)methylsulfanyl]-3-methyl-7-(3-methylbutyl)purine-2,6-dione::8-[(4-chlorophenyl)methylthio]-3-methyl-7-(3-methylbutyl)purine-2,6-dione::MLS000037470::SMR000057707::cid_658140

SMILES: CC(C)CCn1c(SCc2ccc(Cl)cc2)nc2n(C)c(=O)[nH]c(=O)c12

InChI Key: InChIKey=WHDGVTSUNXWOGB-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 67717   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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)	BDBM67717 (8-[(4-chlorobenzyl)thio]-7-isoamyl-3-methyl-xanthi...) Show SMILES CC(C)CCn1c(SCc2ccc(Cl)cc2)nc2n(C)c(=O)[nH]c(=O)c12 Show InChI InChI=1S/C18H21ClN4O2S/c1-11(2)8-9-23-14-15(22(3)17(25)21-16(14)24)20-18(23)26-10-12-4-6-13(19)7-5-12/h4-7,11H,8-10H2,1-3H3,(H,21,24,25)	KEGG GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	<160	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)	BDBM67717 (8-[(4-chlorobenzyl)thio]-7-isoamyl-3-methyl-xanthi...) Show SMILES CC(C)CCn1c(SCc2ccc(Cl)cc2)nc2n(C)c(=O)[nH]c(=O)c12 Show InChI InChI=1S/C18H21ClN4O2S/c1-11(2)8-9-23-14-15(22(3)17(25)21-16(14)24)20-18(23)26-10-12-4-6-13(19)7-5-12/h4-7,11H,8-10H2,1-3H3,(H,21,24,25)	KEGG GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	<160	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
XBP1 (Homo sapiens (Human))	BDBM67717 (8-[(4-chlorobenzyl)thio]-7-isoamyl-3-methyl-xanthi...) Show SMILES CC(C)CCn1c(SCc2ccc(Cl)cc2)nc2n(C)c(=O)[nH]c(=O)c12 Show InChI InChI=1S/C18H21ClN4O2S/c1-11(2)8-9-23-14-15(22(3)17(25)21-16(14)24)20-18(23)26-10-12-4-6-13(19)7-5-12/h4-7,11H,8-10H2,1-3H3,(H,21,24,25)	KEGG GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	430	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