Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 330.3 BDBM67863Purchase

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)	BDBM67863 (3-[3-methyl-6-phenyl-4-(trifluoromethyl)-1-pyrazol...) Show SMILES Cc1nn(CCC#N)c2nc(cc(c12)C(F)(F)F)-c1ccccc1 Show InChI InChI=1S/C17H13F3N4/c1-11-15-13(17(18,19)20)10-14(12-6-3-2-4-7-12)22-16(15)24(23-11)9-5-8-21/h2-4,6-7,10H,5,9H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.21E+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)	BDBM67863 (3-[3-methyl-6-phenyl-4-(trifluoromethyl)-1-pyrazol...) Show SMILES Cc1nn(CCC#N)c2nc(cc(c12)C(F)(F)F)-c1ccccc1 Show InChI InChI=1S/C17H13F3N4/c1-11-15-13(17(18,19)20)10-14(12-6-3-2-4-7-12)22-16(15)24(23-11)9-5-8-21/h2-4,6-7,10H,5,9H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.21E+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))	BDBM67863 (3-[3-methyl-6-phenyl-4-(trifluoromethyl)-1-pyrazol...) Show SMILES Cc1nn(CCC#N)c2nc(cc(c12)C(F)(F)F)-c1ccccc1 Show InChI InChI=1S/C17H13F3N4/c1-11-15-13(17(18,19)20)10-14(12-6-3-2-4-7-12)22-16(15)24(23-11)9-5-8-21/h2-4,6-7,10H,5,9H2,1H3	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