Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 285.3 BDBM67769Purchase

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))	BDBM67769 (2-(4-butylanilino)-6-propyl-1H-pyrimidin-4-one | 2...) Show SMILES CCCCc1ccc(Nc2nc(CCC)cc(=O)[nH]2)cc1 Show InChI InChI=1S/C17H23N3O/c1-3-5-7-13-8-10-14(11-9-13)18-17-19-15(6-4-2)12-16(21)20-17/h8-12H,3-7H2,1-2H3,(H2,18,19,20,21)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.17E+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)	BDBM67769 (2-(4-butylanilino)-6-propyl-1H-pyrimidin-4-one | 2...) Show SMILES CCCCc1ccc(Nc2nc(CCC)cc(=O)[nH]2)cc1 Show InChI InChI=1S/C17H23N3O/c1-3-5-7-13-8-10-14(11-9-13)18-17-19-15(6-4-2)12-16(21)20-17/h8-12H,3-7H2,1-2H3,(H2,18,19,20,21)	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)	BDBM67769 (2-(4-butylanilino)-6-propyl-1H-pyrimidin-4-one | 2...) Show SMILES CCCCc1ccc(Nc2nc(CCC)cc(=O)[nH]2)cc1 Show InChI InChI=1S/C17H23N3O/c1-3-5-7-13-8-10-14(11-9-13)18-17-19-15(6-4-2)12-16(21)20-17/h8-12H,3-7H2,1-2H3,(H2,18,19,20,21)	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