BDBM34800 2,3-dimethyl-4-({[(4-methylphenyl)sulfonyl]oxy}imino)-2,5-cyclohexadien-1-one::4-methylbenzenesulfonic acid [(2,3-dimethyl-4-oxo-1-cyclohexa-2,5-dienylidene)amino] ester::4-methylbenzenesulfonic acid [(4-keto-2,3-dimethyl-cyclohexa-2,5-dien-1-ylidene)amino] ester::4-methylbenzenesulfonic acid [(Z)-(4-keto-2,3-dimethyl-cyclohexa-2,5-dien-1-ylidene)amino] ester::MLS000626890::SMR000272021::[(2,3-dimethyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)amino] 4-methylbenzenesulfonate::[(2,3-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino] 4-methylbenzenesulfonate::cid_1587414
SMILES: CC1=C(C)C(C=CC1=O)=NOS(=O)(=O)c1ccc(C)cc1
InChI Key: InChIKey=CMUQFECVLNBHSH-UHFFFAOYSA-N
Data: 6 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Mannose-6-phosphate isomerase (Homo sapiens (Human)) | BDBM34800 (2,3-dimethyl-4-({[(4-methylphenyl)sulfonyl]oxy}imi...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 5.11E+3 | n/a | n/a | n/a | n/a | 7.4 | 23 |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description The purpose of this assay is to identify non-competititve inhibitors of human PMI. This is accomplished by using a G6PD- NADPH-coupled assay. In the ... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2CF9NFM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
DNA damage-inducible transcript 3 protein (Mus musculus) | BDBM34800 (2,3-dimethyl-4-({[(4-methylphenyl)sulfonyl]oxy}imi...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | >1.00E+4 | 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 | |||||||||||||
Receptor-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human)) | BDBM34800 (2,3-dimethyl-4-({[(4-methylphenyl)sulfonyl]oxy}imi...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 3.42E+3 | 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 (2012) BindingDB Entry DOI: 10.7270/Q2T15278 | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
DNA damage-inducible transcript 3 protein (Mus musculus) | BDBM34800 (2,3-dimethyl-4-({[(4-methylphenyl)sulfonyl]oxy}imi...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | >1.00E+4 | 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 | |||||||||||||
Beta-lactamase (Pseudomonas aeruginosa) | BDBM34800 (2,3-dimethyl-4-({[(4-methylphenyl)sulfonyl]oxy}imi...) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 3.10E+4 | 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 (2012) BindingDB Entry DOI: 10.7270/Q2XS5T0R | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
X-box-binding protein 1 (Homo sapiens (Human)) | BDBM34800 (2,3-dimethyl-4-({[(4-methylphenyl)sulfonyl]oxy}imi...) | KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 1.99E+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 |