BDBM32041 3-[[(Z)-(3-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methyl]amino]-2-propyl-quinazolin-4-one::3-[[(Z)-(3-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]amino]-2-propyl-4-quinazolinone::3-[[(Z)-(3-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]amino]-2-propylquinazolin-4-one::3-[[(Z)-(3-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]amino]-2-propyl-quinazolin-4-one::MLS000039021::SMR000037671::cid_5389225
SMILES: CCCc1nc2ccccc2c(=O)n1N=Cc1ccc(O)c(O)c1
InChI Key: InChIKey=ZAGYRXCHJNKGDS-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Heat shock protein HSP 90-alpha (Homo sapiens (Human)) | BDBM32041 (3-[[(Z)-(3-hydroxy-4-keto-cyclohexa-2,5-dien-1-yli...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 1.76E+4 | n/a | n/a | n/a | n/a | 7.4 | 23 |
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay | Assay Description A fluorescence polarization based HTS assay has been developed and optimized for the identification of Hsp90 inhibitors by using tumor cell lysate Hs... | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2Q23XM6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...) | BDBM32041 (3-[[(Z)-(3-hydroxy-4-keto-cyclohexa-2,5-dien-1-yli...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 767 | n/a | n/a | n/a | n/a | 8.0 | 23 |
University of Pittsburgh Molecular Library Screening Center Curated by PubChem BioAssay | Assay Description A fluorescence resonance energy transfer assay is developed in 96-well and 384-well microplate formats with robotic manipulation to enable high-throu... | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2H70D5W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
leucine aminopeptidase (Plasmodium falciparum 3D7) | BDBM32041 (3-[[(Z)-(3-hydroxy-4-keto-cyclohexa-2,5-dien-1-yli...) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 2.42E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
SRMLSC Curated by PubChem BioAssay | Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q27W69N8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
large T antigen (Simian virus 40) | BDBM32041 (3-[[(Z)-(3-hydroxy-4-keto-cyclohexa-2,5-dien-1-yli...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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 |
Southern Research Specialized Biocontainment Screening Center Curated by PubChem BioAssay | Assay Description A biochemical assay using the ADP-Hunter methodology, purified TAg, and ATP to identify compounds that inhibit the ATPase activity of Tag Southern Re... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2M61HQ8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
large T antigen (Simian virus 40) | BDBM32041 (3-[[(Z)-(3-hydroxy-4-keto-cyclohexa-2,5-dien-1-yli...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 4.84E+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 | |||||||||||||
Tyrosine-protein kinase JAK2 (Homo sapiens (Human)) | BDBM32041 (3-[[(Z)-(3-hydroxy-4-keto-cyclohexa-2,5-dien-1-yli...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 3.62E+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/Q20863Q9 | |||||||||||
More data for this Ligand-Target Pair |