Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 303.7 BDBM68190Purchase

Wt: 303.7 BDBM94031Purchase

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

Found 4 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
Endothelial PAS domain-containing protein 1 (Homo sapiens (Human))	BDBM94031 (3-[({[1-(4-chlorophenyl)ethylidene]amino}oxy)methy...) Show SMILES C\C(=N/OCc1cccc(c1)C(O)=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C16H14ClNO3/c1-11(13-5-7-15(17)8-6-13)18-21-10-12-3-2-4-14(9-12)16(19)20/h2-9H,10H2,1H3,(H,19,20)/b18-11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.87E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay									PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2WS8RVZ
					More data for this Ligand-Target Pair
X-box-binding protein 1 (Homo sapiens (Human))	BDBM68190 (3-[({[1-(4-chlorophenyl)ethylidene]amino}oxy)methy...) Show SMILES CC(=NOCc1cccc(c1)C(O)=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C16H14ClNO3/c1-11(13-5-7-15(17)8-6-13)18-21-10-12-3-2-4-14(9-12)16(19)20/h2-9H,10H2,1H3,(H,19,20)	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)	BDBM68190 (3-[({[1-(4-chlorophenyl)ethylidene]amino}oxy)methy...) Show SMILES CC(=NOCc1cccc(c1)C(O)=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C16H14ClNO3/c1-11(13-5-7-15(17)8-6-13)18-21-10-12-3-2-4-14(9-12)16(19)20/h2-9H,10H2,1H3,(H,19,20)	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
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM68190 (3-[({[1-(4-chlorophenyl)ethylidene]amino}oxy)methy...) Show SMILES CC(=NOCc1cccc(c1)C(O)=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C16H14ClNO3/c1-11(13-5-7-15(17)8-6-13)18-21-10-12-3-2-4-14(9-12)16(19)20/h2-9H,10H2,1H3,(H,19,20)	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