BDBM44443 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-[3-cyano-4,5-bis(furan-2-yl)furan-2-yl]-4-methyl-pentanamide::MLS000054168::N-[3-cyano-4,5-bis(2-furanyl)-2-furanyl]-2-(1,3-dioxo-2-isoindolyl)-4-methylpentanamide::N-[3-cyano-4,5-bis(2-furyl)-2-furyl]-4-methyl-2-phthalimido-valeramide::N-[3-cyano-4,5-bis(furan-2-yl)furan-2-yl]-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide::SMR000062696::cid_2998795
SMILES: CC(C)CC(N1C(=O)c2ccccc2C1=O)C(=O)Nc1oc(-c2ccco2)c(-c2ccco2)c1C#N
InChI Key: InChIKey=XDQWTQAZISXETO-UHFFFAOYSA-N
Data: 5 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Eph receptor A4 (Mus musculus) | BDBM44443 (2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-[3-cyano...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanford-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 (2008) BindingDB Entry DOI: 10.7270/Q2P55KW4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Eph receptor A4 (Mus musculus) | BDBM44443 (2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-[3-cyano...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2JD4V5T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
phosphomannomutase 2 (Homo sapiens (Human)) | BDBM44443 (2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-[3-cyano...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >8.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanford-Burnham Medical Research Institute Curated by ChEMBL | Assay Description Inhibition of human purified PMM2 | J Med Chem 54: 3661-8 (2011) Article DOI: 10.1021/jm101401a BindingDB Entry DOI: 10.7270/Q28C9WKP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mannose-6-phosphate isomerase (Homo sapiens (Human)) | BDBM44443 (2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-[3-cyano...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanford-Burnham Medical Research Institute Curated by ChEMBL | Assay Description Inhibition of human purified phosphomannose isomerase | J Med Chem 54: 3661-8 (2011) Article DOI: 10.1021/jm101401a BindingDB Entry DOI: 10.7270/Q28C9WKP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
hypothetical protein SA1422 (Staphylococcus aureus subsp. aureus N315) | BDBM44443 (2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-[3-cyano...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 5.31E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2BV7F7H | ||||||||||||
More data for this Ligand-Target Pair |