Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 375.2 BDBM67960Purchase

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)	BDBM67960 (3-bromanyl-N'-(4-tert-butylphenyl)carbonyl-benzohy...) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)NNC(=O)c1cccc(Br)c1 Show InChI InChI=1S/C18H19BrN2O2/c1-18(2,3)14-9-7-12(8-10-14)16(22)20-21-17(23)13-5-4-6-15(19)11-13/h4-11H,1-3H3,(H,20,22)(H,21,23)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase 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
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM67960 (3-bromanyl-N'-(4-tert-butylphenyl)carbonyl-benzohy...) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)NNC(=O)c1cccc(Br)c1 Show InChI InChI=1S/C18H19BrN2O2/c1-18(2,3)14-9-7-12(8-10-14)16(22)20-21-17(23)13-5-4-6-15(19)11-13/h4-11H,1-3H3,(H,20,22)(H,21,23)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase 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
X-box-binding protein 1 (Homo sapiens (Human))	BDBM67960 (3-bromanyl-N'-(4-tert-butylphenyl)carbonyl-benzohy...) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)NNC(=O)c1cccc(Br)c1 Show InChI InChI=1S/C18H19BrN2O2/c1-18(2,3)14-9-7-12(8-10-14)16(22)20-21-17(23)13-5-4-6-15(19)11-13/h4-11H,1-3H3,(H,20,22)(H,21,23)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase 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/Q2NK3CGB
					More data for this Ligand-Target Pair