BDBM51964 2-{[(4-phenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]thio}-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one::3-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methylsulfanyl]-2,6,7,8-tetrahydrocyclopenta[2,3]thieno[2,4-b]pyrimidin-1-one::3-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methylthio]-2,6,7,8-tetrahydrocyclopenta[2,3]thieno[2,4-b]pyrimidin-1-one::3-[(4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)methylthio]-2,6,7,8-tetrahydrocyclopenta[2,3]thieno[2,4-b]pyrimidin-1-one::MLS000531546::SMR000136544::cid_2229949
SMILES: O=c1[nH]c(SCc2n[nH]c(=S)n2-c2ccccc2)nc2sc3CCCc3c12
InChI Key: InChIKey=DWWPXIBQOWEJSH-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) | BDBM51964![]() (2-{[(4-phenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazo...) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet ![]() | Purchase 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/Q2X63KBQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
metallo-beta-lactamase IMP-1 (Pseudomonas aeruginosa) | BDBM51964![]() (2-{[(4-phenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazo...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet ![]() | Purchase 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 | |||||||||||||
corticotropin releasing factor-binding protein (Homo sapiens (Human)) | BDBM51964![]() (2-{[(4-phenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazo...) | KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet ![]() | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 6.63E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2NC5ZS3 | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
metallo-beta-lactamase IMP-1 (Pseudomonas aeruginosa) | BDBM51964![]() (2-{[(4-phenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazo...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet ![]() | Purchase 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 | |||||||||||||
corticotropin releasing factor-binding protein (Homo sapiens (Human)) | BDBM51964![]() (2-{[(4-phenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazo...) | KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet ![]() | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | >5.30E+4 | 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 (2012) BindingDB Entry DOI: 10.7270/Q2VX0F3D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta lactamase (Pseudomonas aeruginosa) | BDBM51964![]() (2-{[(4-phenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazo...) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet ![]() | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 4.20E+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 |