Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 287.3 BDBM67718Purchase

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))	BDBM67718 (8-ethyl-3,3-dimethyl-6-(2-methylpropylamino)-1,4-d...) Show SMILES CCc1nc(NCC(C)C)c(C#N)c2CC(C)(C)OCc12 Show InChI InChI=1S/C17H25N3O/c1-6-15-14-10-21-17(4,5)7-12(14)13(8-18)16(20-15)19-9-11(2)3/h11H,6-7,9-10H2,1-5H3,(H,19,20)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	420	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)	BDBM67718 (8-ethyl-3,3-dimethyl-6-(2-methylpropylamino)-1,4-d...) Show SMILES CCc1nc(NCC(C)C)c(C#N)c2CC(C)(C)OCc12 Show InChI InChI=1S/C17H25N3O/c1-6-15-14-10-21-17(4,5)7-12(14)13(8-18)16(20-15)19-9-11(2)3/h11H,6-7,9-10H2,1-5H3,(H,19,20)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	740	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)	BDBM67718 (8-ethyl-3,3-dimethyl-6-(2-methylpropylamino)-1,4-d...) Show SMILES CCc1nc(NCC(C)C)c(C#N)c2CC(C)(C)OCc12 Show InChI InChI=1S/C17H25N3O/c1-6-15-14-10-21-17(4,5)7-12(14)13(8-18)16(20-15)19-9-11(2)3/h11H,6-7,9-10H2,1-5H3,(H,19,20)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	740	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