BDBM80075 7-bromanyl-6-methoxy-quinoline-5,8-dione::7-bromo-6-methoxy-quinoline-5,8-quinone::7-bromo-6-methoxyquinoline-5,8-dione::MLS002703741::SMR001570458::cid_265935
SMILES: COC1=C(Br)C(=O)c2ncccc2C1=O
InChI Key: InChIKey=VFJSDBUJXJBRRA-UHFFFAOYSA-N
Data: 10 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-galactosidase (Escherichia coli) | BDBM80075 (7-bromanyl-6-methoxy-quinoline-5,8-dione | 7-bromo...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | >6.66E+4 | n/a | n/a | 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/Q2NG4P4X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
putative hexokinase HKDC1 (Homo sapiens (Human)) | BDBM80075 (7-bromanyl-6-methoxy-quinoline-5,8-dione | 7-bromo...) | GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 3.56E+3 | n/a | n/a | 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/Q2W094D4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
C-C chemokine receptor type 6 (CCR6) (Homo sapiens (Human)) | BDBM80075 (7-bromanyl-6-methoxy-quinoline-5,8-dione | 7-bromo...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | >6.66E+4 | n/a | n/a | 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, CA... | PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q20P0XHD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
cysteine protease ATG4B isoform a (Homo sapiens (Human)) | BDBM80075 (7-bromanyl-6-methoxy-quinoline-5,8-dione | 7-bromo...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 3.53E+3 | n/a | n/a | 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/Q2BZ64H1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protein-arginine deiminase type-1 (Homo sapiens (Human)) | BDBM80075 (7-bromanyl-6-methoxy-quinoline-5,8-dione | 7-bromo...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4.55E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute-Florida Curated by ChEMBL | Assay Description Inhibition of recombinant wild-type PAD1 (unknown origin) using N-alpha-Benzoyl-L-arginine amide as substrate preincubated for 15 mins followed by su... | Bioorg Med Chem 22: 1362-9 (2014) Article DOI: 10.1016/j.bmc.2013.12.064 BindingDB Entry DOI: 10.7270/Q2QV3P05 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Phospholipase A2 (Homo sapiens (Human)) | BDBM80075 (7-bromanyl-6-methoxy-quinoline-5,8-dione | 7-bromo...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | >8.00E+4 | n/a | n/a | 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/Q26M35BC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
protein-arginine deiminase type-4 (Homo sapiens (Human)) | BDBM80075 (7-bromanyl-6-methoxy-quinoline-5,8-dione | 7-bromo...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute-Florida Curated by ChEMBL | Assay Description Inhibition of recombinant wild-type PAD4 (unknown origin) using N-alpha-Benzoyl-L-arginine ethyl ester as substrate preincubated for 15 mins followed... | Bioorg Med Chem 22: 1362-9 (2014) Article DOI: 10.1016/j.bmc.2013.12.064 BindingDB Entry DOI: 10.7270/Q2QV3P05 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protein-arginine deiminase type-3 (Homo sapiens (Human)) | BDBM80075 (7-bromanyl-6-methoxy-quinoline-5,8-dione | 7-bromo...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute-Florida Curated by ChEMBL | Assay Description Inhibition of recombinant wild-type PAD3 (unknown origin) using N-alpha-Benzoyl-L-arginine amide as substrate preincubated for 15 mins followed by su... | Bioorg Med Chem 22: 1362-9 (2014) Article DOI: 10.1016/j.bmc.2013.12.064 BindingDB Entry DOI: 10.7270/Q2QV3P05 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protein-arginine deiminase type-2 (Homo sapiens (Human)) | BDBM80075 (7-bromanyl-6-methoxy-quinoline-5,8-dione | 7-bromo...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 6.32E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute-Florida Curated by ChEMBL | Assay Description Inhibition of recombinant wild-type PAD2 (unknown origin) using N-alpha-Benzoyl-L-arginine ethyl ester as substrate preincubated for 15 mins followed... | Bioorg Med Chem 22: 1362-9 (2014) Article DOI: 10.1016/j.bmc.2013.12.064 BindingDB Entry DOI: 10.7270/Q2QV3P05 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
putative hexokinase HKDC1 (Homo sapiens (Human)) | BDBM80075 (7-bromanyl-6-methoxy-quinoline-5,8-dione | 7-bromo...) | GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 4.89E+3 | n/a | n/a | 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/Q23F4N3R | |||||||||||
More data for this Ligand-Target Pair |