Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 370.4 BDBM67730

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)	BDBM67730 ((5E)-1-allyl-5-[1-[4-(diethylamino)anilino]propyli...) Show SMILES CCN(CC)c1ccc(NC(CC)=C2C(=O)NC(=O)N(CC=C)C2=O)cc1 |w:10.9| Show InChI InChI=1S/C20H26N4O3/c1-5-13-24-19(26)17(18(25)22-20(24)27)16(6-2)21-14-9-11-15(12-10-14)23(7-3)8-4/h5,9-12,21H,1,6-8,13H2,2-4H3,(H,22,25,27)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.15E+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
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM67730 ((5E)-1-allyl-5-[1-[4-(diethylamino)anilino]propyli...) Show SMILES CCN(CC)c1ccc(NC(CC)=C2C(=O)NC(=O)N(CC=C)C2=O)cc1 |w:10.9| Show InChI InChI=1S/C20H26N4O3/c1-5-13-24-19(26)17(18(25)22-20(24)27)16(6-2)21-14-9-11-15(12-10-14)23(7-3)8-4/h5,9-12,21H,1,6-8,13H2,2-4H3,(H,22,25,27)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.15E+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
X-box-binding protein 1 (Homo sapiens (Human))	BDBM67730 ((5E)-1-allyl-5-[1-[4-(diethylamino)anilino]propyli...) Show SMILES CCN(CC)c1ccc(NC(CC)=C2C(=O)NC(=O)N(CC=C)C2=O)cc1 |w:10.9| Show InChI InChI=1S/C20H26N4O3/c1-5-13-24-19(26)17(18(25)22-20(24)27)16(6-2)21-14-9-11-15(12-10-14)23(7-3)8-4/h5,9-12,21H,1,6-8,13H2,2-4H3,(H,22,25,27)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.41E+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