Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 375.1 BDBM67826Purchase

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)	BDBM67826 (2-(4-bromanylpyrazol-1-yl)-4-thiophen-2-yl-6-(trif...) Show SMILES FC(F)(F)c1cc(nc(n1)-n1cc(Br)cn1)-c1cccs1 Show InChI InChI=1S/C12H6BrF3N4S/c13-7-5-17-20(6-7)11-18-8(9-2-1-3-21-9)4-10(19-11)12(14,15)16/h1-6H	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	780	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)	BDBM67826 (2-(4-bromanylpyrazol-1-yl)-4-thiophen-2-yl-6-(trif...) Show SMILES FC(F)(F)c1cc(nc(n1)-n1cc(Br)cn1)-c1cccs1 Show InChI InChI=1S/C12H6BrF3N4S/c13-7-5-17-20(6-7)11-18-8(9-2-1-3-21-9)4-10(19-11)12(14,15)16/h1-6H	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	780	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))	BDBM67826 (2-(4-bromanylpyrazol-1-yl)-4-thiophen-2-yl-6-(trif...) Show SMILES FC(F)(F)c1cc(nc(n1)-n1cc(Br)cn1)-c1cccs1 Show InChI InChI=1S/C12H6BrF3N4S/c13-7-5-17-20(6-7)11-18-8(9-2-1-3-21-9)4-10(19-11)12(14,15)16/h1-6H	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	5.60E+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