Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 334.4 BDBM67758

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)	BDBM67758 (1,3-dicyclohexyl-5-(diaminomethylene)barbituric ac...) Show SMILES NC(=N)C1C(=O)N(C2CCCCC2)C(=O)N(C2CCCCC2)C1=O Show InChI InChI=1S/C17H26N4O3/c18-14(19)13-15(22)20(11-7-3-1-4-8-11)17(24)21(16(13)23)12-9-5-2-6-10-12/h11-13H,1-10H2,(H3,18,19)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.41E+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 (2010) BindingDB Entry DOI: 10.7270/Q2PC30VZ
					More data for this Ligand-Target Pair
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM67758 (1,3-dicyclohexyl-5-(diaminomethylene)barbituric ac...) Show SMILES NC(=N)C1C(=O)N(C2CCCCC2)C(=O)N(C2CCCCC2)C1=O Show InChI InChI=1S/C17H26N4O3/c18-14(19)13-15(22)20(11-7-3-1-4-8-11)17(24)21(16(13)23)12-9-5-2-6-10-12/h11-13H,1-10H2,(H3,18,19)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.41E+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/Q28C9TQN
					More data for this Ligand-Target Pair
X-box-binding protein 1 (Homo sapiens (Human))	BDBM67758 (1,3-dicyclohexyl-5-(diaminomethylene)barbituric ac...) Show SMILES NC(=N)C1C(=O)N(C2CCCCC2)C(=O)N(C2CCCCC2)C1=O Show InChI InChI=1S/C17H26N4O3/c18-14(19)13-15(22)20(11-7-3-1-4-8-11)17(24)21(16(13)23)12-9-5-2-6-10-12/h11-13H,1-10H2,(H3,18,19)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.97E+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