Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 400.1 BDBM68057

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))	BDBM68057 (MLS000390760 | N-[(3-bromobenzylidene)amino]-2-[3-...) Show SMILES FC(F)(F)c1cccc(NCC(=O)NN=Cc2cccc(Br)c2)c1 Show InChI InChI=1S/C16H13BrF3N3O/c17-13-5-1-3-11(7-13)9-22-23-15(24)10-21-14-6-2-4-12(8-14)16(18,19)20/h1-9,21H,10H2,(H,23,24)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	1.46E+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)	BDBM68057 (MLS000390760 | N-[(3-bromobenzylidene)amino]-2-[3-...) Show SMILES FC(F)(F)c1cccc(NCC(=O)NN=Cc2cccc(Br)c2)c1 Show InChI InChI=1S/C16H13BrF3N3O/c17-13-5-1-3-11(7-13)9-22-23-15(24)10-21-14-6-2-4-12(8-14)16(18,19)20/h1-9,21H,10H2,(H,23,24)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	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)	BDBM68057 (MLS000390760 | N-[(3-bromobenzylidene)amino]-2-[3-...) Show SMILES FC(F)(F)c1cccc(NCC(=O)NN=Cc2cccc(Br)c2)c1 Show InChI InChI=1S/C16H13BrF3N3O/c17-13-5-1-3-11(7-13)9-22-23-15(24)10-21-14-6-2-4-12(8-14)16(18,19)20/h1-9,21H,10H2,(H,23,24)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	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