Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 356.3 BDBM67996Purchase

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)	BDBM67996 ((E)-3-(4-methoxyphenyl)-N-(nicotinamidothiocarbamo...) Show SMILES COc1ccc(\C=C\C(=O)NC(=S)NNC(=O)c2cccnc2)cc1 Show InChI InChI=1S/C17H16N4O3S/c1-24-14-7-4-12(5-8-14)6-9-15(22)19-17(25)21-20-16(23)13-3-2-10-18-11-13/h2-11H,1H3,(H,20,23)(H2,19,21,22,25)/b9-6+	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	2.27E+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)	BDBM67996 ((E)-3-(4-methoxyphenyl)-N-(nicotinamidothiocarbamo...) Show SMILES COc1ccc(\C=C\C(=O)NC(=S)NNC(=O)c2cccnc2)cc1 Show InChI InChI=1S/C17H16N4O3S/c1-24-14-7-4-12(5-8-14)6-9-15(22)19-17(25)21-20-16(23)13-3-2-10-18-11-13/h2-11H,1H3,(H,20,23)(H2,19,21,22,25)/b9-6+	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	2.27E+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))	BDBM67996 ((E)-3-(4-methoxyphenyl)-N-(nicotinamidothiocarbamo...) Show SMILES COc1ccc(\C=C\C(=O)NC(=S)NNC(=O)c2cccnc2)cc1 Show InChI InChI=1S/C17H16N4O3S/c1-24-14-7-4-12(5-8-14)6-9-15(22)19-17(25)21-20-16(23)13-3-2-10-18-11-13/h2-11H,1H3,(H,20,23)(H2,19,21,22,25)/b9-6+	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	1.00E+4	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