BDBM65994 4-amino-3-[2-[(E)-(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]-6-tert-butyl-1,2,4-triazin-5-one::4-amino-3-[N'-[(E)-(3-bromo-6-keto-cyclohexa-2,4-dien-1-ylidene)methyl]hydrazino]-6-tert-butyl-1,2,4-triazin-5-one::4-amino-3-[[(E)-(3-bromo-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]hydrazo]-6-tert-butyl-1,2,4-triazin-5-one::4-azanyl-3-[2-[(E)-(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]-6-tert-butyl-1,2,4-triazin-5-one::MLS000697044::SMR000237820::cid_6289422
SMILES: CC(C)(C)c1nnc(N=NCc2cc(Br)ccc2O)n(N)c1=O
InChI Key: InChIKey=NGLDTGORIBUFEV-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
RPL19A (Saccharomyces cerevisiae) | BDBM65994 (4-amino-3-[2-[(E)-(3-bromo-6-oxocyclohexa-2,4-dien...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | PCBioAssay | n/a | n/a | n/a | n/a | >3.30E+4 | n/a | n/a | n/a | n/a |
NMMLSC Curated by PubChem BioAssay | Assay Description University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2JQ0ZGP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
LAP4 (Saccharomyces cerevisiae) | BDBM65994 (4-amino-3-[2-[(E)-(3-bromo-6-oxocyclohexa-2,4-dien...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | PCBioAssay | n/a | n/a | n/a | n/a | 1.22E+4 | n/a | n/a | n/a | n/a |
NMMLSC Curated by PubChem BioAssay | Assay Description University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q21R6P02 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
DNA damage-inducible transcript 3 protein (Mus musculus) | BDBM65994 (4-amino-3-[2-[(E)-(3-bromo-6-oxocyclohexa-2,4-dien...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | PCBioAssay | n/a | n/a | 5.12E+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: Dr. Randal Kaufman, Univer... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2PC30VZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
exonuclease V (RecBCD complex), alpha chain (Escherichia coli str. K-12 substr. MG1655) | BDBM65994 (4-amino-3-[2-[(E)-(3-bromo-6-oxocyclohexa-2,4-dien...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | PCBioAssay | n/a | n/a | >1.19E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q21G0JXG | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
XBP1 (Homo sapiens (Human)) | BDBM65994 (4-amino-3-[2-[(E)-(3-bromo-6-oxocyclohexa-2,4-dien...) | KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | PCBioAssay | n/a | n/a | 4.91E+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: Dr. Randal Kaufman, Univer... | PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2NK3CGB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
DNA damage-inducible transcript 3 protein (Mus musculus) | BDBM65994 (4-amino-3-[2-[(E)-(3-bromo-6-oxocyclohexa-2,4-dien...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | PCBioAssay | n/a | n/a | 5.12E+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: Dr. Randal Kaufman, Univer... | PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q28C9TQN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Hexokinase type I (Homo sapiens (Human)) | BDBM65994 (4-amino-3-[2-[(E)-(3-bromo-6-oxocyclohexa-2,4-dien...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | PCBioAssay | n/a | n/a | n/a | n/a | >8.00E+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 (2011) BindingDB Entry DOI: 10.7270/Q2765CSM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
putative hexokinase HKDC1 (Homo sapiens (Human)) | BDBM65994 (4-amino-3-[2-[(E)-(3-bromo-6-oxocyclohexa-2,4-dien...) | GoogleScholar AffyNet | PC cid PC sid UniChem | PCBioAssay | n/a | n/a | n/a | n/a | 1.99E+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 (2011) BindingDB Entry DOI: 10.7270/Q2R78CQV | |||||||||||
More data for this Ligand-Target Pair |