Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 472.2 BDBM67942Purchase

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)	BDBM67942 (6-bromanyl-2-pyridin-3-yl-N-[4-(trifluoromethyl)ph...) Show SMILES FC(F)(F)c1ccc(NC(=O)c2cc(nc3ccc(Br)cc23)-c2cccnc2)cc1 Show InChI InChI=1S/C22H13BrF3N3O/c23-15-5-8-19-17(10-15)18(11-20(29-19)13-2-1-9-27-12-13)21(30)28-16-6-3-14(4-7-16)22(24,25)26/h1-12H,(H,28,30)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.19E+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)	BDBM67942 (6-bromanyl-2-pyridin-3-yl-N-[4-(trifluoromethyl)ph...) Show SMILES FC(F)(F)c1ccc(NC(=O)c2cc(nc3ccc(Br)cc23)-c2cccnc2)cc1 Show InChI InChI=1S/C22H13BrF3N3O/c23-15-5-8-19-17(10-15)18(11-20(29-19)13-2-1-9-27-12-13)21(30)28-16-6-3-14(4-7-16)22(24,25)26/h1-12H,(H,28,30)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.19E+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))	BDBM67942 (6-bromanyl-2-pyridin-3-yl-N-[4-(trifluoromethyl)ph...) Show SMILES FC(F)(F)c1ccc(NC(=O)c2cc(nc3ccc(Br)cc23)-c2cccnc2)cc1 Show InChI InChI=1S/C22H13BrF3N3O/c23-15-5-8-19-17(10-15)18(11-20(29-19)13-2-1-9-27-12-13)21(30)28-16-6-3-14(4-7-16)22(24,25)26/h1-12H,(H,28,30)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.06E+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