Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 490.3 BDBM67963Purchase

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)	BDBM67963 (2-[3-benzyl-5-[2-(4-bromoanilino)-2-keto-ethyl]-4-...) Show SMILES COC(=O)CN1C(CC(=O)Nc2ccc(Br)cc2)C(=O)N(Cc2ccccc2)C1=S Show InChI InChI=1S/C21H20BrN3O4S/c1-29-19(27)13-24-17(11-18(26)23-16-9-7-15(22)8-10-16)20(28)25(21(24)30)12-14-5-3-2-4-6-14/h2-10,17H,11-13H2,1H3,(H,23,26)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	3.74E+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)	BDBM67963 (2-[3-benzyl-5-[2-(4-bromoanilino)-2-keto-ethyl]-4-...) Show SMILES COC(=O)CN1C(CC(=O)Nc2ccc(Br)cc2)C(=O)N(Cc2ccccc2)C1=S Show InChI InChI=1S/C21H20BrN3O4S/c1-29-19(27)13-24-17(11-18(26)23-16-9-7-15(22)8-10-16)20(28)25(21(24)30)12-14-5-3-2-4-6-14/h2-10,17H,11-13H2,1H3,(H,23,26)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	3.74E+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))	BDBM67963 (2-[3-benzyl-5-[2-(4-bromoanilino)-2-keto-ethyl]-4-...) Show SMILES COC(=O)CN1C(CC(=O)Nc2ccc(Br)cc2)C(=O)N(Cc2ccccc2)C1=S Show InChI InChI=1S/C21H20BrN3O4S/c1-29-19(27)13-24-17(11-18(26)23-16-9-7-15(22)8-10-16)20(28)25(21(24)30)12-14-5-3-2-4-6-14/h2-10,17H,11-13H2,1H3,(H,23,26)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	3.88E+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