BDBM80357 (3-acetyl-4-oxidoquinoxalin-4-ium-2-yl)methyl pyridine-3-carboxylate::(3-ethanoyl-4-oxidanidyl-quinoxalin-4-ium-2-yl)methyl pyridine-3-carboxylate::3-pyridinecarboxylic acid (3-acetyl-4-oxido-2-quinoxalin-4-iumyl)methyl ester::MLS000041994::SMR000046514::cid_665392::nicotinic acid (3-acetyl-4-oxido-quinoxalin-4-ium-2-yl)methyl ester
SMILES: CC(=O)c1c(COC(=O)c2cccnc2)nc2ccccc2[n+]1[O-]
InChI Key: InChIKey=KCRWYDLSCHKTSX-UHFFFAOYSA-N
Data: 2 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
probable DNA dC->dU-editing enzyme APOBEC-3A (Homo sapiens (Human)) | BDBM80357 ((3-acetyl-4-oxidoquinoxalin-4-ium-2-yl)methyl pyri...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | 1.48E+3 | n/a | n/a | n/a | n/a | n/a | 25 |
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/Q24F1P6P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
DNA dC->dU-editing enzyme APOBEC-3G (Homo sapiens (Human)) | BDBM80357 ((3-acetyl-4-oxidoquinoxalin-4-ium-2-yl)methyl pyri...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | 2.09E+3 | n/a | n/a | n/a | n/a | n/a | 25 |
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/Q2862DX0 | |||||||||||
More data for this Ligand-Target Pair |