BDBM51969 3-(4-chloranyl-1,5-dimethyl-pyrazol-3-yl)-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione::3-(4-chloro-1,5-dimethyl-3-pyrazolyl)-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione::3-(4-chloro-1,5-dimethyl-pyrazol-3-yl)-4-(p-tolyl)-1H-1,2,4-triazole-5-thione::3-(4-chloro-1,5-dimethylpyrazol-3-yl)-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione::5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol::MLS000544427::SMR000159954::cid_752826
SMILES: Cc1c(Cl)c(nn1C)-c1n[nH]c(=S)n1-c1ccc(C)cc1
InChI Key: InChIKey=NSTONUHPDDLKGD-UHFFFAOYSA-N
Data: 4 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Beta lactamase (Pseudomonas aeruginosa) | BDBM51969![]() (3-(4-chloranyl-1,5-dimethyl-pyrazol-3-yl)-4-(4-met...) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 1.07E+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/Q2X63KBQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
metallo-beta-lactamase IMP-1 (Pseudomonas aeruginosa) | BDBM51969![]() (3-(4-chloranyl-1,5-dimethyl-pyrazol-3-yl)-4-(4-met...) | 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) | BDBM51969![]() (3-(4-chloranyl-1,5-dimethyl-pyrazol-3-yl)-4-(4-met...) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 3.72E+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/Q2NS0S90 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
metallo-beta-lactamase IMP-1 (Pseudomonas aeruginosa) | BDBM51969![]() (3-(4-chloranyl-1,5-dimethyl-pyrazol-3-yl)-4-(4-met...) | 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 |