BDBM52014 3-ethyl-4-[[(Z)-2-methyl-3-phenyl-prop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione::3-ethyl-4-[[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione::5-ethyl-4-[(2-methyl-3-phenyl-2-propen-1-ylidene)amino]-4H-1,2,4-triazole-3-thiol::MLS001164489::SMR000497460::cid_1567820
SMILES: CCc1n[nH]c(=S)n1N=CC(C)=Cc1ccccc1
InChI Key: InChIKey=MWLVTUMJELRASM-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Beta lactamase (Pseudomonas aeruginosa) | BDBM52014 (3-ethyl-4-[[(Z)-2-methyl-3-phenyl-prop-2-enylidene...) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 1.23E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2X63KBQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
metallo-beta-lactamase IMP-1 (Pseudomonas aeruginosa) | BDBM52014 (3-ethyl-4-[[(Z)-2-methyl-3-phenyl-prop-2-enylidene...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 5.96E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2SF2TM0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glycogen synthase kinase-3 beta (Homo sapiens (Human)) | BDBM52014 (3-ethyl-4-[[(Z)-2-methyl-3-phenyl-prop-2-enylidene...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | >3.00E+5 | n/a | n/a | n/a | n/a |
Broad Institute Curated by PubChem BioAssay | Assay Description Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2TX3CTT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
metallo-beta-lactamase IMP-1 (Pseudomonas aeruginosa) | BDBM52014 (3-ethyl-4-[[(Z)-2-methyl-3-phenyl-prop-2-enylidene...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 5.96E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2J101MD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta lactamase (Pseudomonas aeruginosa) | BDBM52014 (3-ethyl-4-[[(Z)-2-methyl-3-phenyl-prop-2-enylidene...) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 332 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2NS0S90 | |||||||||||
More data for this Ligand-Target Pair |