Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 472.8 BDBM68003Purchase

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)	BDBM68003 (MLS000562329 | N-[2,2,2-trichloro-1-[(4-phenylazop...) Show SMILES CCCC(=O)NC(NC(=S)Nc1ccc(cc1)N=Nc1ccccc1)C(Cl)(Cl)Cl |w:17.17| Show InChI InChI=1S/C19H20Cl3N5OS/c1-2-6-16(28)24-17(19(20,21)22)25-18(29)23-13-9-11-15(12-10-13)27-26-14-7-4-3-5-8-14/h3-5,7-12,17H,2,6H2,1H3,(H,24,28)(H2,23,25,29)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.93E+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)	BDBM68003 (MLS000562329 | N-[2,2,2-trichloro-1-[(4-phenylazop...) Show SMILES CCCC(=O)NC(NC(=S)Nc1ccc(cc1)N=Nc1ccccc1)C(Cl)(Cl)Cl |w:17.17| Show InChI InChI=1S/C19H20Cl3N5OS/c1-2-6-16(28)24-17(19(20,21)22)25-18(29)23-13-9-11-15(12-10-13)27-26-14-7-4-3-5-8-14/h3-5,7-12,17H,2,6H2,1H3,(H,24,28)(H2,23,25,29)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.93E+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))	BDBM68003 (MLS000562329 | N-[2,2,2-trichloro-1-[(4-phenylazop...) Show SMILES CCCC(=O)NC(NC(=S)Nc1ccc(cc1)N=Nc1ccccc1)C(Cl)(Cl)Cl |w:17.17| Show InChI InChI=1S/C19H20Cl3N5OS/c1-2-6-16(28)24-17(19(20,21)22)25-18(29)23-13-9-11-15(12-10-13)27-26-14-7-4-3-5-8-14/h3-5,7-12,17H,2,6H2,1H3,(H,24,28)(H2,23,25,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	6.38E+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