Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 271.3 BDBM67734Purchase

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))	BDBM67734 (2-anilino-6-methyl-5-pentyl-1H-pyrimidin-4-one | 5...) Show SMILES CCCCCc1c(C)nc(Nc2ccccc2)[nH]c1=O Show InChI InChI=1S/C16H21N3O/c1-3-4-6-11-14-12(2)17-16(19-15(14)20)18-13-9-7-5-8-10-13/h5,7-10H,3-4,6,11H2,1-2H3,(H2,17,18,19,20)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.46E+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)	BDBM67734 (2-anilino-6-methyl-5-pentyl-1H-pyrimidin-4-one | 5...) Show SMILES CCCCCc1c(C)nc(Nc2ccccc2)[nH]c1=O Show InChI InChI=1S/C16H21N3O/c1-3-4-6-11-14-12(2)17-16(19-15(14)20)18-13-9-7-5-8-10-13/h5,7-10H,3-4,6,11H2,1-2H3,(H2,17,18,19,20)	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)	BDBM67734 (2-anilino-6-methyl-5-pentyl-1H-pyrimidin-4-one | 5...) Show SMILES CCCCCc1c(C)nc(Nc2ccccc2)[nH]c1=O Show InChI InChI=1S/C16H21N3O/c1-3-4-6-11-14-12(2)17-16(19-15(14)20)18-13-9-7-5-8-10-13/h5,7-10H,3-4,6,11H2,1-2H3,(H2,17,18,19,20)	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