Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 528.4 BDBM68103Purchase

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))	BDBM68103 (1-(4-Amino-furazan-3-yl)-5-phenoxymethyl-1H-[1,2,3...) Show SMILES Nc1nonc1-n1nnc(C(=O)NN=Cc2ccc(OCc3ccc(F)cc3)cc2)c1COc1ccccc1 Show InChI InChI=1S/C26H21FN8O4/c27-19-10-6-18(7-11-19)15-37-21-12-8-17(9-13-21)14-29-31-26(36)23-22(16-38-20-4-2-1-3-5-20)35(34-30-23)25-24(28)32-39-33-25/h1-14H,15-16H2,(H2,28,32)(H,31,36)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.95E+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)	BDBM68103 (1-(4-Amino-furazan-3-yl)-5-phenoxymethyl-1H-[1,2,3...) Show SMILES Nc1nonc1-n1nnc(C(=O)NN=Cc2ccc(OCc3ccc(F)cc3)cc2)c1COc1ccccc1 Show InChI InChI=1S/C26H21FN8O4/c27-19-10-6-18(7-11-19)15-37-21-12-8-17(9-13-21)14-29-31-26(36)23-22(16-38-20-4-2-1-3-5-20)35(34-30-23)25-24(28)32-39-33-25/h1-14H,15-16H2,(H2,28,32)(H,31,36)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	6.40E+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)	BDBM68103 (1-(4-Amino-furazan-3-yl)-5-phenoxymethyl-1H-[1,2,3...) Show SMILES Nc1nonc1-n1nnc(C(=O)NN=Cc2ccc(OCc3ccc(F)cc3)cc2)c1COc1ccccc1 Show InChI InChI=1S/C26H21FN8O4/c27-19-10-6-18(7-11-19)15-37-21-12-8-17(9-13-21)14-29-31-26(36)23-22(16-38-20-4-2-1-3-5-20)35(34-30-23)25-24(28)32-39-33-25/h1-14H,15-16H2,(H2,28,32)(H,31,36)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	6.40E+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