Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 468.8 BDBM68064Purchase

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)	BDBM68064 (MLS000393536 | N-(2-chlorobenzyl)-4-[[3-(trifluoro...) Show SMILES FC(F)(F)c1cccc(NS(=O)(=O)c2ccc(cc2)C(=O)NCc2ccccc2Cl)c1 Show InChI InChI=1S/C21H16ClF3N2O3S/c22-19-7-2-1-4-15(19)13-26-20(28)14-8-10-18(11-9-14)31(29,30)27-17-6-3-5-16(12-17)21(23,24)25/h1-12,27H,13H2,(H,26,28)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.45E+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)	BDBM68064 (MLS000393536 | N-(2-chlorobenzyl)-4-[[3-(trifluoro...) Show SMILES FC(F)(F)c1cccc(NS(=O)(=O)c2ccc(cc2)C(=O)NCc2ccccc2Cl)c1 Show InChI InChI=1S/C21H16ClF3N2O3S/c22-19-7-2-1-4-15(19)13-26-20(28)14-8-10-18(11-9-14)31(29,30)27-17-6-3-5-16(12-17)21(23,24)25/h1-12,27H,13H2,(H,26,28)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.45E+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))	BDBM68064 (MLS000393536 | N-(2-chlorobenzyl)-4-[[3-(trifluoro...) Show SMILES FC(F)(F)c1cccc(NS(=O)(=O)c2ccc(cc2)C(=O)NCc2ccccc2Cl)c1 Show InChI InChI=1S/C21H16ClF3N2O3S/c22-19-7-2-1-4-15(19)13-26-20(28)14-8-10-18(11-9-14)31(29,30)27-17-6-3-5-16(12-17)21(23,24)25/h1-12,27H,13H2,(H,26,28)	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