BDBM48771 (Z)-2-butenedioic acid;2-[[2-(methylaminomethyl)phenyl]thio]benzene-1,4-diol::(Z)-but-2-enedioic acid;2-[2-(methylaminomethyl)phenyl]sulfanylbenzene-1,4-diol::2-({2-[(methylamino)methyl]phenyl}sulfanyl)-1,4-benzenediol::MLS000704381::SMR000230499::cid_15945829::maleic acid;2-[[2-(methylaminomethyl)phenyl]thio]hydroquinone
SMILES: CNCc1ccccc1Sc1cc(O)ccc1O
InChI Key: InChIKey=WHMZLIFZEPPXCW-UHFFFAOYSA-N
Data: 11 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
eukaryotic translation initiation factor 4 gamma, 1 isoform 4 (Homo sapiens (Human)) | BDBM48771 ((Z)-2-butenedioic acid;2-[[2-(methylaminomethyl)ph...) | PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 6.40E+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 Dose Response Confirmation for Small Molecule Inhibitors of Eukaryotic Translation Initiation NIH Molecular Libraries Screening Centers Network [MLSC... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2RN3686 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human)) | BDBM48771 ((Z)-2-butenedioic acid;2-[[2-(methylaminomethyl)ph...) | PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 4.50E+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: Nikolovska-Coleska, Univer... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q23X8539 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-galactosidase (Escherichia coli) | BDBM48771 ((Z)-2-butenedioic acid;2-[[2-(methylaminomethyl)ph...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase 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 | |||||||||||||
C-C chemokine receptor type 6 (CCR6) (Homo sapiens (Human)) | BDBM48771 ((Z)-2-butenedioic acid;2-[[2-(methylaminomethyl)ph...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 2.35E+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 | |||||||||||||
putative hexokinase HKDC1 (Homo sapiens (Human)) | BDBM48771 ((Z)-2-butenedioic acid;2-[[2-(methylaminomethyl)ph...) | GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 3.35E+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 | |||||||||||||
Group III secretory phopholipase A2 (Homo sapiens (Human)) | BDBM48771 ((Z)-2-butenedioic acid;2-[[2-(methylaminomethyl)ph...) | KEGG GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 1.22E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide... | PubChem Bioassay (2014) BindingDB Entry DOI: 10.7270/Q2CV4GCW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
putative hexokinase HKDC1 (Homo sapiens (Human)) | BDBM48771 ((Z)-2-butenedioic acid;2-[[2-(methylaminomethyl)ph...) | GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 4.58E+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 | |||||||||||||
glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase (Plasmodium falciparum 3D7) | BDBM48771 ((Z)-2-butenedioic acid;2-[[2-(methylaminomethyl)ph...) | UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 2.23E+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 CA... | PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2ZS2TZG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase (Plasmodium falciparum 3D7) | BDBM48771 ((Z)-2-butenedioic acid;2-[[2-(methylaminomethyl)ph...) | UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase 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 CA... | PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q27H1H3W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase (Plasmodium falciparum 3D7) | BDBM48771 ((Z)-2-butenedioic acid;2-[[2-(methylaminomethyl)ph...) | UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 5.45E+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/Q23T9FQ1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glucose 6-phosphate dehydrogenase (G6PD) (Homo sapiens (Human)) | BDBM48771 ((Z)-2-butenedioic acid;2-[[2-(methylaminomethyl)ph...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 2.69E+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/Q2V12389 | |||||||||||
More data for this Ligand-Target Pair |