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BDBM34791 MLS000392355::N-methyl-2-(4-methylphenyl)-3-phenyl-1,2,4-thiadiazol-2-ium-5-amine;bromide::SMR000261243::cid_12006282::methyl-[3-phenyl-2-(p-tolyl)-1,2,4-thiadiazol-2-ium-5-yl]amine;bromide
SMILES: CNc1nc(-c2ccccc2)[n+](s1)-c1ccc(C)cc1
InChI Key: InChIKey=AYURKVVCUVKFLJ-UHFFFAOYSA-O
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| MPI protein (Homo sapiens (Human)) | BDBM34791 (MLS000392355 | N-methyl-2-(4-methylphenyl)-3-pheny...) | Reactome pathway KEGG GoogleScholar AffyNet  | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 6.89E+3 | n/a | n/a | n/a | n/a | 7.4 | 23 |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description The purpose of this assay is to identify non-competititve inhibitors of human PMI. This is accomplished by using a G6PD- NADPH-coupled assay. In the ... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2CF9NFM | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Histone acetyltransferase GCN5 (Saccharomyces cerevisiae S288c) | BDBM34791 (MLS000392355 | N-methyl-2-(4-methylphenyl)-3-pheny...) | PDB B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 8.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Mayo Clinic College of Medicine Curated by ChEMBL | Assay Description Inhibition of yeast histone acetyltransferase Gcn5-Ada2-Ada3 complex using tetramer and [3H]-acetyl-CoA assessed as acetate incorporation after 30 mi... | J Med Chem 58: 2091-113 (2015) Article DOI: 10.1021/jm5019093 BindingDB Entry DOI: 10.7270/Q26M38J9 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| phosphatase, orphan 1 (Homo sapiens (Human)) | BDBM34791 (MLS000392355 | N-methyl-2-(4-methylphenyl)-3-pheny...) | KEGG DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 4.47E+3 | n/a | n/a | 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 (2010) BindingDB Entry DOI: 10.7270/Q27S7M52 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| neutrophil cytosolic factor 1 (Homo sapiens (Human)) | BDBM34791 (MLS000392355 | N-methyl-2-(4-methylphenyl)-3-pheny...) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 2.44E+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: Susan Smith, Emory Univers... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2M90723 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| neuronal munc18-1 binding protein (Rattus norvegicus) | BDBM34791 (MLS000392355 | N-methyl-2-(4-methylphenyl)-3-pheny...) | PDB MMDB KEGG B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 2.48E+3 | n/a | n/a | 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 (2009) BindingDB Entry DOI: 10.7270/Q20P0XFH | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Voltage-gated calcium channel subunit alpha Cav2.2 (Homo sapiens (Human)) | BDBM34791 (MLS000392355 | N-methyl-2-(4-methylphenyl)-3-pheny...) | PDB GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description Data Source: Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute Network... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2PZ578V | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| large T antigen (Simian virus 40) | BDBM34791 (MLS000392355 | N-methyl-2-(4-methylphenyl)-3-pheny...) | PDB MMDB KEGG B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 3.62E+4 | n/a | n/a | n/a | n/a |
Southern Research Specialized Biocontainment Screening Center Curated by PubChem BioAssay | Assay Description Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2ZK5F47 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| neuronal munc18-1 binding protein (Rattus norvegicus) | BDBM34791 (MLS000392355 | N-methyl-2-(4-methylphenyl)-3-pheny...) | PDB MMDB KEGG B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | <110 | n/a | n/a | 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 (2010) BindingDB Entry DOI: 10.7270/Q21V5CDC | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| neuronal munc18-1 binding protein (Rattus norvegicus) | BDBM34791 (MLS000392355 | N-methyl-2-(4-methylphenyl)-3-pheny...) | PDB MMDB KEGG B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 278 | n/a | n/a | 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 (2010) BindingDB Entry DOI: 10.7270/Q2668BMS | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Glucose 6-phosphate dehydrogenase (G6PD) (Homo sapiens (Human)) | BDBM34791 (MLS000392355 | N-methyl-2-(4-methylphenyl)-3-pheny...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 1.05E+4 | n/a | n/a | 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 CA... | PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2V12389 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase (Plasmodium falciparum 3D7) | BDBM34791 (MLS000392355 | N-methyl-2-(4-methylphenyl)-3-pheny...) | UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 3.36E+3 | n/a | n/a | 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 CA... | PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2ZS2TZG | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase (Plasmodium falciparum 3D7) | BDBM34791 (MLS000392355 | N-methyl-2-(4-methylphenyl)-3-pheny...) | UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 8.68E+3 | n/a | n/a | 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 CA... | PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q27H1H3W | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase (Plasmodium falciparum 3D7) | BDBM34791 (MLS000392355 | N-methyl-2-(4-methylphenyl)-3-pheny...) | UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 1.46E+4 | n/a | n/a | 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 CA... | PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q23T9FQ1 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Histone acetyltransferase GCN5 (Saccharomyces cerevisiae S288c) | BDBM34791 (MLS000392355 | N-methyl-2-(4-methylphenyl)-3-pheny...) | PDB B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Mayo Clinic College of Medicine Curated by ChEMBL | Assay Description Inhibition of Vps75-stimulated recombinant Saccharomyces cerevisiae histone acetyltransferase Rtt109 using Asf1-dH3-H4 as substrate assessed as coenz... | J Med Chem 58: 2091-113 (2015) Article DOI: 10.1021/jm5019093 BindingDB Entry DOI: 10.7270/Q26M38J9 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Histone acetyltransferase GCN5 (Saccharomyces cerevisiae S288c) | BDBM34791 (MLS000392355 | N-methyl-2-(4-methylphenyl)-3-pheny...) | PDB B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Mayo Clinic College of Medicine Curated by ChEMBL | Assay Description Inhibition of Vps75-stimulated recombinant Saccharomyces cerevisiae histone acetyltransferase Rtt109 using Asf1-dH3-H4 as substrate assessed as coenz... | J Med Chem 58: 2091-113 (2015) Article DOI: 10.1021/jm5019093 BindingDB Entry DOI: 10.7270/Q26M38J9 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Histone acetyltransferase GCN5 (Saccharomyces cerevisiae S288c) | BDBM34791 (MLS000392355 | N-methyl-2-(4-methylphenyl)-3-pheny...) | PDB B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Mayo Clinic College of Medicine Curated by ChEMBL | Assay Description Inhibition of Vps75-stimulated recombinant Saccharomyces cerevisiae histone acetyltransferase Rtt109 using [3H]-acetyl-CoA assessed as acetate incorp... | J Med Chem 58: 2091-113 (2015) Article DOI: 10.1021/jm5019093 BindingDB Entry DOI: 10.7270/Q26M38J9 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Histone acetyltransferase p300 (Homo sapiens (Human)) | BDBM34791 (MLS000392355 | N-methyl-2-(4-methylphenyl)-3-pheny...) | PDB MMDB B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Mayo Clinic College of Medicine Curated by ChEMBL | Assay Description Inhibition of recombinant histone acetyltransferase p300 (unknown origin) using dH3-H4 tetramer and [3H]-acetyl-CoA assessed as acetate incorporation... | J Med Chem 58: 2091-113 (2015) Article DOI: 10.1021/jm5019093 BindingDB Entry DOI: 10.7270/Q26M38J9 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| eukaryotic translation initiation factor 4 gamma, 1 isoform 4 (Homo sapiens (Human)) | BDBM34791 (MLS000392355 | N-methyl-2-(4-methylphenyl)-3-pheny...) | PDB Reactome pathway KEGG GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 1.49E+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 Dose Response Confirmation for Small Molecule Inhibitors of Eukaryotic Translation Initiation NIH Molecular Libraries Screening Centers Network [MLSC... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2RN3686 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
