Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 390.2 BDBM68040

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)	BDBM68040 (1-Amino-3-(4-bromo-phenyl)-3,5-dihydro-benzo[4,5]i...) Show SMILES Brc1ccc(cc1)C1C(C#N)c2nc3ccccc3n2C(=N)C1C#N Show InChI InChI=1S/C19H12BrN5/c20-12-7-5-11(6-8-12)17-13(9-21)18(23)25-16-4-2-1-3-15(16)24-19(25)14(17)10-22/h1-8,13-14,17,23H	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	6.27E+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)	BDBM68040 (1-Amino-3-(4-bromo-phenyl)-3,5-dihydro-benzo[4,5]i...) Show SMILES Brc1ccc(cc1)C1C(C#N)c2nc3ccccc3n2C(=N)C1C#N Show InChI InChI=1S/C19H12BrN5/c20-12-7-5-11(6-8-12)17-13(9-21)18(23)25-16-4-2-1-3-15(16)24-19(25)14(17)10-22/h1-8,13-14,17,23H	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	6.27E+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))	BDBM68040 (1-Amino-3-(4-bromo-phenyl)-3,5-dihydro-benzo[4,5]i...) Show SMILES Brc1ccc(cc1)C1C(C#N)c2nc3ccccc3n2C(=N)C1C#N Show InChI InChI=1S/C19H12BrN5/c20-12-7-5-11(6-8-12)17-13(9-21)18(23)25-16-4-2-1-3-15(16)24-19(25)14(17)10-22/h1-8,13-14,17,23H	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	9.05E+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