BDBM50341981 2-((3-chlorobenzyl)((5-(N-(3,3-diphenylpropyl)sulfamoyl)thiophen-2-yl)methyl)amino)-2-oxoacetic acid::CHEMBL1230587::{(3-CHLOROBENZYL)[(5-{[(3,3-DIPHENYLPROPYL)AMINO]SULFONYL}-2-THIENYL)METHYL]AMINO}(OXO)ACETIC ACID
SMILES: OC(=O)C(=O)N(Cc1ccc(s1)S(=O)(=O)NCCC(c1ccccc1)c1ccccc1)Cc1cccc(Cl)c1
InChI Key: InChIKey=VTJWHBBWMSLPBI-UHFFFAOYSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Phosphotyrosine protein phosphatase (Mycobacterium tuberculosis) | BDBM50341981 (2-((3-chlorobenzyl)((5-(N-(3,3-diphenylpropyl)sulf...) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Patents | MMDB PDB Article PubMed | n/a | n/a | 440 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine Curated by ChEMBL | Assay Description Inhibition of Mycobacterium tuberculosis PtpB | Bioorg Med Chem Lett 29: 1665-1672 (2019) Article DOI: 10.1016/j.bmcl.2019.04.034 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Protein Tyrosine Phosphatase PTPB (Mycobacterium tuberculosis) | BDBM50341981 (2-((3-chlorobenzyl)((5-(N-(3,3-diphenylpropyl)sulf...) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Patents | MMDB PDB Article PubMed | n/a | n/a | 440 | n/a | n/a | n/a | n/a | n/a | n/a |
Max-Planck-Institute of Molecular Physiology Curated by ChEMBL | Assay Description Inhibition of Mycobacterium tuberculosis ptpB | Bioorg Med Chem 19: 2145-55 (2011) Article DOI: 10.1016/j.bmc.2011.02.047 BindingDB Entry DOI: 10.7270/Q2BR8SHK | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |