Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 374.4 BDBM67749Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 5 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)	BDBM67749 (MLS000056716 | N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-...) Show SMILES Cc1cc(NC(=O)CSc2nc(C)nc3sc4CCCCc4c23)no1 Show InChI InChI=1S/C17H18N4O2S2/c1-9-7-13(21-23-9)20-14(22)8-24-16-15-11-5-3-4-6-12(11)25-17(15)19-10(2)18-16/h7H,3-6,8H2,1-2H3,(H,20,21,22)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	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 (2010) BindingDB Entry DOI: 10.7270/Q2PC30VZ
					More data for this Ligand-Target Pair
X-box-binding protein 1 (Homo sapiens (Human))	BDBM67749 (MLS000056716 | N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-...) Show SMILES Cc1cc(NC(=O)CSc2nc(C)nc3sc4CCCCc4c23)no1 Show InChI InChI=1S/C17H18N4O2S2/c1-9-7-13(21-23-9)20-14(22)8-24-16-15-11-5-3-4-6-12(11)25-17(15)19-10(2)18-16/h7H,3-6,8H2,1-2H3,(H,20,21,22)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	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
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM67749 (MLS000056716 | N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-...) Show SMILES Cc1cc(NC(=O)CSc2nc(C)nc3sc4CCCCc4c23)no1 Show InChI InChI=1S/C17H18N4O2S2/c1-9-7-13(21-23-9)20-14(22)8-24-16-15-11-5-3-4-6-12(11)25-17(15)19-10(2)18-16/h7H,3-6,8H2,1-2H3,(H,20,21,22)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	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/Q28C9TQN
					More data for this Ligand-Target Pair
Endoribonuclease toxin MazF (Escherichia coli str. K-12 substr. MG1655)	BDBM67749 (MLS000056716 | N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-...) Show SMILES Cc1cc(NC(=O)CSc2nc(C)nc3sc4CCCCc4c23)no1 Show InChI InChI=1S/C17H18N4O2S2/c1-9-7-13(21-23-9)20-14(22)8-24-16-15-11-5-3-4-6-12(11)25-17(15)19-10(2)18-16/h7H,3-6,8H2,1-2H3,(H,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>9.90E+4	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2Z31X54
					More data for this Ligand-Target Pair
Endoribonuclease toxin MazF (Escherichia coli str. K-12 substr. MG1655)	BDBM67749 (MLS000056716 | N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-...) Show SMILES Cc1cc(NC(=O)CSc2nc(C)nc3sc4CCCCc4c23)no1 Show InChI InChI=1S/C17H18N4O2S2/c1-9-7-13(21-23-9)20-14(22)8-24-16-15-11-5-3-4-6-12(11)25-17(15)19-10(2)18-16/h7H,3-6,8H2,1-2H3,(H,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>9.90E+4	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2TB15DB
					More data for this Ligand-Target Pair