BDBM80861 4-[2-(2-Cyclohexyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-ylsulfanyl)-acetyl]-3,4-dihydro-1H-quinoxalin-2-one::4-[2-(2-cyclohexyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-yl)sulfanylethanoyl]-1,3-dihydroquinoxalin-2-one::4-[2-(2-cyclohexyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one::4-[2-[(2-cyclohexyl-5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)thio]-1-oxoethyl]-1,3-dihydroquinoxalin-2-one::4-[2-[(2-cyclohexyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-yl)thio]acetyl]-1,3-dihydroquinoxalin-2-one::MLS000555707::SMR000173088::cid_3203918
SMILES: Cc1sc2nc(nc(SCC(=O)N3CC(=O)Nc4ccccc34)c2c1C)C1CCCCC1
InChI Key: InChIKey=KNTFWVDUNXYYJT-UHFFFAOYSA-N
Data: 3 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
cysteine protease ATG4B isoform a (Homo sapiens (Human)) | BDBM80861 (4-[2-(2-Cyclohexyl-5,6-dimethyl-thieno[2,3-d]pyrim...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 316 | 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 | |||||||||||||
cysteine protease ATG4B isoform a (Homo sapiens (Human)) | BDBM80861 (4-[2-(2-Cyclohexyl-5,6-dimethyl-thieno[2,3-d]pyrim...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 316 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Antwerp Curated by ChEMBL | Assay Description Inhibition of wild type recombinant Atg4B (unknown origin) expressed in Escherichia coli BL21 DE3 using N-terminal His6-tagged LC3B-PLA2 as substrate... | Eur J Med Chem 123: 631-638 (2016) Article DOI: 10.1016/j.ejmech.2016.07.073 BindingDB Entry DOI: 10.7270/Q2FT8P1P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Phospholipase A2 (Homo sapiens (Human)) | BDBM80861 (4-[2-(2-Cyclohexyl-5,6-dimethyl-thieno[2,3-d]pyrim...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 182 | 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 |