Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 409.5 BDBM68037Purchase

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)	BDBM68037 (2-(4-tert-butylphenoxy)-N-[1-(4-morpholin-4-ylphen...) Show SMILES CC(=NNC(=O)COc1ccc(cc1)C(C)(C)C)c1ccc(cc1)N1CCOCC1 |w:2.2| Show InChI InChI=1S/C24H31N3O3/c1-18(19-5-9-21(10-6-19)27-13-15-29-16-14-27)25-26-23(28)17-30-22-11-7-20(8-12-22)24(2,3)4/h5-12H,13-17H2,1-4H3,(H,26,28)	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)	BDBM68037 (2-(4-tert-butylphenoxy)-N-[1-(4-morpholin-4-ylphen...) Show SMILES CC(=NNC(=O)COc1ccc(cc1)C(C)(C)C)c1ccc(cc1)N1CCOCC1 |w:2.2| Show InChI InChI=1S/C24H31N3O3/c1-18(19-5-9-21(10-6-19)27-13-15-29-16-14-27)25-26-23(28)17-30-22-11-7-20(8-12-22)24(2,3)4/h5-12H,13-17H2,1-4H3,(H,26,28)	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))	BDBM68037 (2-(4-tert-butylphenoxy)-N-[1-(4-morpholin-4-ylphen...) Show SMILES CC(=NNC(=O)COc1ccc(cc1)C(C)(C)C)c1ccc(cc1)N1CCOCC1 |w:2.2| Show InChI InChI=1S/C24H31N3O3/c1-18(19-5-9-21(10-6-19)27-13-15-29-16-14-27)25-26-23(28)17-30-22-11-7-20(8-12-22)24(2,3)4/h5-12H,13-17H2,1-4H3,(H,26,28)	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