Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 396.8 BDBM68156Purchase

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))	BDBM68156 (2-chloranyl-1-[2,5-dimethyl-1-(3-morpholin-4-ylsul...) Show SMILES Cc1cc(C(=O)CCl)c(C)n1-c1cccc(c1)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C18H21ClN2O4S/c1-13-10-17(18(22)12-19)14(2)21(13)15-4-3-5-16(11-15)26(23,24)20-6-8-25-9-7-20/h3-5,10-11H,6-9,12H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	PCBioAssay	n/a	n/a	5.20E+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)	BDBM68156 (2-chloranyl-1-[2,5-dimethyl-1-(3-morpholin-4-ylsul...) Show SMILES Cc1cc(C(=O)CCl)c(C)n1-c1cccc(c1)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C18H21ClN2O4S/c1-13-10-17(18(22)12-19)14(2)21(13)15-4-3-5-16(11-15)26(23,24)20-6-8-25-9-7-20/h3-5,10-11H,6-9,12H2,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	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)	BDBM68156 (2-chloranyl-1-[2,5-dimethyl-1-(3-morpholin-4-ylsul...) Show SMILES Cc1cc(C(=O)CCl)c(C)n1-c1cccc(c1)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C18H21ClN2O4S/c1-13-10-17(18(22)12-19)14(2)21(13)15-4-3-5-16(11-15)26(23,24)20-6-8-25-9-7-20/h3-5,10-11H,6-9,12H2,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	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