Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 467.3 BDBM68027Purchase

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))	BDBM68027 (MLS000586575 | N-(2,3-dichlorophenyl)-2-fluoro-5-(...) Show SMILES Fc1ccc(cc1C(=O)Nc1cccc(Cl)c1Cl)S(=O)(=O)NCCc1ccccc1 Show InChI InChI=1S/C21H17Cl2FN2O3S/c22-17-7-4-8-19(20(17)23)26-21(27)16-13-15(9-10-18(16)24)30(28,29)25-12-11-14-5-2-1-3-6-14/h1-10,13,25H,11-12H2,(H,26,27)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	8.39E+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)	BDBM68027 (MLS000586575 | N-(2,3-dichlorophenyl)-2-fluoro-5-(...) Show SMILES Fc1ccc(cc1C(=O)Nc1cccc(Cl)c1Cl)S(=O)(=O)NCCc1ccccc1 Show InChI InChI=1S/C21H17Cl2FN2O3S/c22-17-7-4-8-19(20(17)23)26-21(27)16-13-15(9-10-18(16)24)30(28,29)25-12-11-14-5-2-1-3-6-14/h1-10,13,25H,11-12H2,(H,26,27)	KEGG UniProtKB/SwissProt 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/Q28C9TQN
					More data for this Ligand-Target Pair
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM68027 (MLS000586575 | N-(2,3-dichlorophenyl)-2-fluoro-5-(...) Show SMILES Fc1ccc(cc1C(=O)Nc1cccc(Cl)c1Cl)S(=O)(=O)NCCc1ccccc1 Show InChI InChI=1S/C21H17Cl2FN2O3S/c22-17-7-4-8-19(20(17)23)26-21(27)16-13-15(9-10-18(16)24)30(28,29)25-12-11-14-5-2-1-3-6-14/h1-10,13,25H,11-12H2,(H,26,27)	KEGG UniProtKB/SwissProt 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 (2010) BindingDB Entry DOI: 10.7270/Q2PC30VZ
					More data for this Ligand-Target Pair