Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 318.4 BDBM67810Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 4 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))	BDBM67810 (6-(2-Amino-ethylamino)-8-butyl-3,3-dimethyl-3,4-di...) Show SMILES CCCCc1nc(NCCN)c(C#N)c2CC(C)(C)SCc12 Show InChI InChI=1S/C17H26N4S/c1-4-5-6-15-14-11-22-17(2,3)9-12(14)13(10-19)16(21-15)20-8-7-18/h4-9,11,18H2,1-3H3,(H,20,21)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.69E+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)	BDBM67810 (6-(2-Amino-ethylamino)-8-butyl-3,3-dimethyl-3,4-di...) Show SMILES CCCCc1nc(NCCN)c(C#N)c2CC(C)(C)SCc12 Show InChI InChI=1S/C17H26N4S/c1-4-5-6-15-14-11-22-17(2,3)9-12(14)13(10-19)16(21-15)20-8-7-18/h4-9,11,18H2,1-3H3,(H,20,21)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	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)	BDBM67810 (6-(2-Amino-ethylamino)-8-butyl-3,3-dimethyl-3,4-di...) Show SMILES CCCCc1nc(NCCN)c(C#N)c2CC(C)(C)SCc12 Show InChI InChI=1S/C17H26N4S/c1-4-5-6-15-14-11-22-17(2,3)9-12(14)13(10-19)16(21-15)20-8-7-18/h4-9,11,18H2,1-3H3,(H,20,21)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	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
Tumor necrosis factor receptor superfamily member 10B (Homo sapiens (Human))	BDBM67810 (6-(2-Amino-ethylamino)-8-butyl-3,3-dimethyl-3,4-di...) Show SMILES CCCCc1nc(NCCN)c(C#N)c2CC(C)(C)SCc12 Show InChI InChI=1S/C17H26N4S/c1-4-5-6-15-14-11-22-17(2,3)9-12(14)13(10-19)16(21-15)20-8-7-18/h4-9,11,18H2,1-3H3,(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>1.25E+4	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay									PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q2P55M4P
					More data for this Ligand-Target Pair