Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 446.9 BDBM68052Purchase

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))	BDBM68052 (3-[[(4-chlorophenyl)thio]methyl]-2-benzofurancarbo...) Show SMILES CNC(=O)NC(=O)C(C)OC(=O)c1oc2ccccc2c1CSc1ccc(Cl)cc1 Show InChI InChI=1S/C21H19ClN2O5S/c1-12(19(25)24-21(27)23-2)28-20(26)18-16(15-5-3-4-6-17(15)29-18)11-30-14-9-7-13(22)8-10-14/h3-10,12H,11H2,1-2H3,(H2,23,24,25,27)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	1.14E+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)	BDBM68052 (3-[[(4-chlorophenyl)thio]methyl]-2-benzofurancarbo...) Show SMILES CNC(=O)NC(=O)C(C)OC(=O)c1oc2ccccc2c1CSc1ccc(Cl)cc1 Show InChI InChI=1S/C21H19ClN2O5S/c1-12(19(25)24-21(27)23-2)28-20(26)18-16(15-5-3-4-6-17(15)29-18)11-30-14-9-7-13(22)8-10-14/h3-10,12H,11H2,1-2H3,(H2,23,24,25,27)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	5.93E+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)	BDBM68052 (3-[[(4-chlorophenyl)thio]methyl]-2-benzofurancarbo...) Show SMILES CNC(=O)NC(=O)C(C)OC(=O)c1oc2ccccc2c1CSc1ccc(Cl)cc1 Show InChI InChI=1S/C21H19ClN2O5S/c1-12(19(25)24-21(27)23-2)28-20(26)18-16(15-5-3-4-6-17(15)29-18)11-30-14-9-7-13(22)8-10-14/h3-10,12H,11H2,1-2H3,(H2,23,24,25,27)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	5.93E+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