Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 353.2 BDBM67906Purchase

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))	BDBM67906 (MLS000327524 | N-methyl-4-(trifluoromethyl)-6-[3-(...) Show SMILES CNc1nc(Sc2cccc(c2)C(F)(F)F)cc(n1)C(F)(F)F Show InChI InChI=1S/C13H9F6N3S/c1-20-11-21-9(13(17,18)19)6-10(22-11)23-8-4-2-3-7(5-8)12(14,15)16/h2-6H,1H3,(H,20,21,22)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	4.65E+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)	BDBM67906 (MLS000327524 | N-methyl-4-(trifluoromethyl)-6-[3-(...) Show SMILES CNc1nc(Sc2cccc(c2)C(F)(F)F)cc(n1)C(F)(F)F Show InChI InChI=1S/C13H9F6N3S/c1-20-11-21-9(13(17,18)19)6-10(22-11)23-8-4-2-3-7(5-8)12(14,15)16/h2-6H,1H3,(H,20,21,22)	KEGG UniProtKB/SwissProt 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/Q28C9TQN
					More data for this Ligand-Target Pair
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM67906 (MLS000327524 | N-methyl-4-(trifluoromethyl)-6-[3-(...) Show SMILES CNc1nc(Sc2cccc(c2)C(F)(F)F)cc(n1)C(F)(F)F Show InChI InChI=1S/C13H9F6N3S/c1-20-11-21-9(13(17,18)19)6-10(22-11)23-8-4-2-3-7(5-8)12(14,15)16/h2-6H,1H3,(H,20,21,22)	KEGG UniProtKB/SwissProt 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 (2010) BindingDB Entry DOI: 10.7270/Q2PC30VZ
					More data for this Ligand-Target Pair