Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 375.5 BDBM67759Purchase

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)	BDBM67759 (7-hexyl-1,3-dimethyl-8-[(3-methyl-1-piperidinyl)me...) Show SMILES CCCCCCn1c(CN2CCCC(C)C2)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C20H33N5O2/c1-5-6-7-8-12-25-16(14-24-11-9-10-15(2)13-24)21-18-17(25)19(26)23(4)20(27)22(18)3/h15H,5-14H2,1-4H3	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
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM67759 (7-hexyl-1,3-dimethyl-8-[(3-methyl-1-piperidinyl)me...) Show SMILES CCCCCCn1c(CN2CCCC(C)C2)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C20H33N5O2/c1-5-6-7-8-12-25-16(14-24-11-9-10-15(2)13-24)21-18-17(25)19(26)23(4)20(27)22(18)3/h15H,5-14H2,1-4H3	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
X-box-binding protein 1 (Homo sapiens (Human))	BDBM67759 (7-hexyl-1,3-dimethyl-8-[(3-methyl-1-piperidinyl)me...) Show SMILES CCCCCCn1c(CN2CCCC(C)C2)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C20H33N5O2/c1-5-6-7-8-12-25-16(14-24-11-9-10-15(2)13-24)21-18-17(25)19(26)23(4)20(27)22(18)3/h15H,5-14H2,1-4H3	PDB KEGG UniProtKB/SwissProt antibodypedia 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/Q2NK3CGB
					More data for this Ligand-Target Pair