Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 337.8 BDBM68026Purchase

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)	BDBM68026 (6-chloranyl-N-methyl-2-methylsulfanyl-5-[(4-propox...) Show SMILES CCCOc1ccc(Cc2c(Cl)nc(SC)nc2NC)cc1 Show InChI InChI=1S/C16H20ClN3OS/c1-4-9-21-12-7-5-11(6-8-12)10-13-14(17)19-16(22-3)20-15(13)18-2/h5-8H,4,9-10H2,1-3H3,(H,18,19,20)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	8.69E+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)	BDBM68026 (6-chloranyl-N-methyl-2-methylsulfanyl-5-[(4-propox...) Show SMILES CCCOc1ccc(Cc2c(Cl)nc(SC)nc2NC)cc1 Show InChI InChI=1S/C16H20ClN3OS/c1-4-9-21-12-7-5-11(6-8-12)10-13-14(17)19-16(22-3)20-15(13)18-2/h5-8H,4,9-10H2,1-3H3,(H,18,19,20)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	8.69E+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))	BDBM68026 (6-chloranyl-N-methyl-2-methylsulfanyl-5-[(4-propox...) Show SMILES CCCOc1ccc(Cc2c(Cl)nc(SC)nc2NC)cc1 Show InChI InChI=1S/C16H20ClN3OS/c1-4-9-21-12-7-5-11(6-8-12)10-13-14(17)19-16(22-3)20-15(13)18-2/h5-8H,4,9-10H2,1-3H3,(H,18,19,20)	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