BDBM42233 4-ethyl-N-[(1Z)-4-oxo-3-(1H-1,2,4-triazol-3-ylthio)naphthalen-1(4H)-ylidene]benzenesulfonamide::4-ethyl-N-[4-keto-3-(1H-1,2,4-triazol-5-ylthio)-1-naphthylidene]benzenesulfonamide::4-ethyl-N-[4-oxidanylidene-3-(1H-1,2,4-triazol-5-ylsulfanyl)naphthalen-1-ylidene]benzenesulfonamide::4-ethyl-N-[4-oxo-3-(1H-1,2,4-triazol-5-ylsulfanyl)naphthalen-1-ylidene]benzenesulfonamide::4-ethyl-N-[4-oxo-3-(1H-1,2,4-triazol-5-ylthio)-1-naphthalenylidene]benzenesulfonamide::MLS000585905::SMR000207686::cid_3318216
SMILES: CCc1ccc(cc1)S(=O)(=O)N=C1C=C(Sc2nnc[nH]2)C(=O)c2ccccc12
InChI Key: InChIKey=MRJFSYVZVJCLMM-UHFFFAOYSA-N
Data: 9 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
YopH (Yersinia enterocolitica) | BDBM42233 (4-ethyl-N-[(1Z)-4-oxo-3-(1H-1,2,4-triazol-3-ylthio...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh Molecular Library Screening Center Curated by PubChem BioAssay | Assay Description Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague rem... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2C24TVC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
YopH (Yersinia enterocolitica) | BDBM42233 (4-ethyl-N-[(1Z)-4-oxo-3-(1H-1,2,4-triazol-3-ylthio...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh Molecular Library Screening Center Curated by PubChem BioAssay | Assay Description Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague rem... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2794330 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
YopH (Yersinia enterocolitica) | BDBM42233 (4-ethyl-N-[(1Z)-4-oxo-3-(1H-1,2,4-triazol-3-ylthio...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh Molecular Library Screening Center Curated by PubChem BioAssay | Assay Description Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague rem... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2GT5KKS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
eukaryotic translation initiation factor 4 gamma, 1 isoform 4 (Homo sapiens (Human)) | BDBM42233 (4-ethyl-N-[(1Z)-4-oxo-3-(1H-1,2,4-triazol-3-ylthio...) | PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 6.40E+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 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 | |||||||||||||
putative hexokinase HKDC1 (Homo sapiens (Human)) | BDBM42233 (4-ethyl-N-[(1Z)-4-oxo-3-(1H-1,2,4-triazol-3-ylthio...) | GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 2.85E+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 (2011) BindingDB Entry DOI: 10.7270/Q23F4N3R | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-galactosidase (Escherichia coli) | BDBM42233 (4-ethyl-N-[(1Z)-4-oxo-3-(1H-1,2,4-triazol-3-ylthio...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | >6.66E+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, C... | PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2NG4P4X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
C-C chemokine receptor type 6 (CCR6) (Homo sapiens (Human)) | BDBM42233 (4-ethyl-N-[(1Z)-4-oxo-3-(1H-1,2,4-triazol-3-ylthio...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 1.53E+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/Q20P0XHD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
putative hexokinase HKDC1 (Homo sapiens (Human)) | BDBM42233 (4-ethyl-N-[(1Z)-4-oxo-3-(1H-1,2,4-triazol-3-ylthio...) | GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 2.46E+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 (2011) BindingDB Entry DOI: 10.7270/Q2W094D4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human)) | BDBM42233 (4-ethyl-N-[(1Z)-4-oxo-3-(1H-1,2,4-triazol-3-ylthio...) | PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 5.90E+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: Nikolovska-Coleska, Univer... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q23X8539 | |||||||||||
More data for this Ligand-Target Pair |