Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 377.5 BDBM67845Purchase

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)	BDBM67845 (2-[2-(3,5-ditert-butyl-4-fluoranyl-phenyl)sulfonyl...) Show SMILES CC(C)(C)c1cc(cc(c1F)C(C)(C)C)S(=O)(=O)CCc1ccccn1 Show InChI InChI=1S/C21H28FNO2S/c1-20(2,3)17-13-16(14-18(19(17)22)21(4,5)6)26(24,25)12-10-15-9-7-8-11-23-15/h7-9,11,13-14H,10,12H2,1-6H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	2.85E+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)	BDBM67845 (2-[2-(3,5-ditert-butyl-4-fluoranyl-phenyl)sulfonyl...) Show SMILES CC(C)(C)c1cc(cc(c1F)C(C)(C)C)S(=O)(=O)CCc1ccccn1 Show InChI InChI=1S/C21H28FNO2S/c1-20(2,3)17-13-16(14-18(19(17)22)21(4,5)6)26(24,25)12-10-15-9-7-8-11-23-15/h7-9,11,13-14H,10,12H2,1-6H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	2.85E+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))	BDBM67845 (2-[2-(3,5-ditert-butyl-4-fluoranyl-phenyl)sulfonyl...) Show SMILES CC(C)(C)c1cc(cc(c1F)C(C)(C)C)S(=O)(=O)CCc1ccccn1 Show InChI InChI=1S/C21H28FNO2S/c1-20(2,3)17-13-16(14-18(19(17)22)21(4,5)6)26(24,25)12-10-15-9-7-8-11-23-15/h7-9,11,13-14H,10,12H2,1-6H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase 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/Q2NK3CGB
					More data for this Ligand-Target Pair