Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 349.3 BDBM67757Purchase

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))	BDBM67757 (2-(5-methyl-2-furanyl)-9-(4-methylphenyl)-8-oxo-7H...) Show SMILES Cc1ccc(o1)-c1nc(C(N)=O)c2[nH]c(=O)n(-c3ccc(C)cc3)c2n1 Show InChI InChI=1S/C18H15N5O3/c1-9-3-6-11(7-4-9)23-17-14(21-18(23)25)13(15(19)24)20-16(22-17)12-8-5-10(2)26-12/h3-8H,1-2H3,(H2,19,24)(H,21,25)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.08E+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)	BDBM67757 (2-(5-methyl-2-furanyl)-9-(4-methylphenyl)-8-oxo-7H...) Show SMILES Cc1ccc(o1)-c1nc(C(N)=O)c2[nH]c(=O)n(-c3ccc(C)cc3)c2n1 Show InChI InChI=1S/C18H15N5O3/c1-9-3-6-11(7-4-9)23-17-14(21-18(23)25)13(15(19)24)20-16(22-17)12-8-5-10(2)26-12/h3-8H,1-2H3,(H2,19,24)(H,21,25)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	6.05E+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)	BDBM67757 (2-(5-methyl-2-furanyl)-9-(4-methylphenyl)-8-oxo-7H...) Show SMILES Cc1ccc(o1)-c1nc(C(N)=O)c2[nH]c(=O)n(-c3ccc(C)cc3)c2n1 Show InChI InChI=1S/C18H15N5O3/c1-9-3-6-11(7-4-9)23-17-14(21-18(23)25)13(15(19)24)20-16(22-17)12-8-5-10(2)26-12/h3-8H,1-2H3,(H2,19,24)(H,21,25)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	6.05E+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