Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 312.4 BDBM67772Purchase

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))	BDBM67772 (2-(4-piperidin-1-ylanilino)-6-propyl-1H-pyrimidin-...) Show SMILES CCCc1cc(=O)[nH]c(Nc2ccc(cc2)N2CCCCC2)n1 Show InChI InChI=1S/C18H24N4O/c1-2-6-15-13-17(23)21-18(20-15)19-14-7-9-16(10-8-14)22-11-4-3-5-12-22/h7-10,13H,2-6,11-12H2,1H3,(H2,19,20,21,23)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	5.17E+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)	BDBM67772 (2-(4-piperidin-1-ylanilino)-6-propyl-1H-pyrimidin-...) Show SMILES CCCc1cc(=O)[nH]c(Nc2ccc(cc2)N2CCCCC2)n1 Show InChI InChI=1S/C18H24N4O/c1-2-6-15-13-17(23)21-18(20-15)19-14-7-9-16(10-8-14)22-11-4-3-5-12-22/h7-10,13H,2-6,11-12H2,1H3,(H2,19,20,21,23)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	6.11E+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/Q28C9TQN
					More data for this Ligand-Target Pair
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM67772 (2-(4-piperidin-1-ylanilino)-6-propyl-1H-pyrimidin-...) Show SMILES CCCc1cc(=O)[nH]c(Nc2ccc(cc2)N2CCCCC2)n1 Show InChI InChI=1S/C18H24N4O/c1-2-6-15-13-17(23)21-18(20-15)19-14-7-9-16(10-8-14)22-11-4-3-5-12-22/h7-10,13H,2-6,11-12H2,1H3,(H2,19,20,21,23)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	6.11E+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 (2010) BindingDB Entry DOI: 10.7270/Q2PC30VZ
					More data for this Ligand-Target Pair