Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 349.3 BDBM67877Purchase

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))	BDBM67877 (2-[3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridyl]p...) Show SMILES Cc1nn(c(C)c1Oc1ccccc1O)-c1ccc(cn1)C(F)(F)F Show InChI InChI=1S/C17H14F3N3O2/c1-10-16(25-14-6-4-3-5-13(14)24)11(2)23(22-10)15-8-7-12(9-21-15)17(18,19)20/h3-9,24H,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	900	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)	BDBM67877 (2-[3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridyl]p...) Show SMILES Cc1nn(c(C)c1Oc1ccccc1O)-c1ccc(cn1)C(F)(F)F Show InChI InChI=1S/C17H14F3N3O2/c1-10-16(25-14-6-4-3-5-13(14)24)11(2)23(22-10)15-8-7-12(9-21-15)17(18,19)20/h3-9,24H,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	5.59E+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
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM67877 (2-[3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridyl]p...) Show SMILES Cc1nn(c(C)c1Oc1ccccc1O)-c1ccc(cn1)C(F)(F)F Show InChI InChI=1S/C17H14F3N3O2/c1-10-16(25-14-6-4-3-5-13(14)24)11(2)23(22-10)15-8-7-12(9-21-15)17(18,19)20/h3-9,24H,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	5.59E+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