BDBM46298 2-[(1,1-diketo-1,2-benzothiazol-3-yl)-[(3-methylbenzylidene)amino]amino]ethanol::2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-[(3-methylphenyl)methylideneamino]amino]ethanol::2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-[(3-methylphenyl)methylideneamino]amino]ethanol::3-methylbenzaldehyde (1,1-dioxido-1,2-benzisothiazol-3-yl)(2-hydroxyethyl)hydrazone::MLS000686259::SMR000313102::cid_4421869
SMILES: Cc1cccc(C=NN(CCO)C2=NS(=O)(=O)c3ccccc23)c1
InChI Key: InChIKey=HCCITIBPMUACOB-UHFFFAOYSA-N
Data: 3 EC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
glutathione S-transferase (Homo sapiens (Human)) | BDBM46298 (2-[(1,1-diketo-1,2-benzothiazol-3-yl)-[(3-methylbe...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 2.64E+4 | n/a | n/a | n/a | n/a |
NMMLSC Curated by PubChem BioAssay | Assay Description University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2M61HPT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
glutathione S-transferase (Homo sapiens (Human)) | BDBM46298 (2-[(1,1-diketo-1,2-benzothiazol-3-yl)-[(3-methylbe...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 6.02E+4 | n/a | n/a | n/a | n/a |
NMMLSC Curated by PubChem BioAssay | Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-re... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2ZC8184 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Apoptosis regulator Bcl-B (Bcl-2-like 10 protein) (Bcl2-L-10) (Anti-apoptotic protein NrH). (Homo sapiens (Human)) | BDBM46298 (2-[(1,1-diketo-1,2-benzothiazol-3-yl)-[(3-methylbe...) | PDB KEGG B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 3.87E+4 | n/a | n/a | n/a | n/a |
NMMLSC Curated by PubChem BioAssay | Assay Description University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2GH9GBT | |||||||||||
More data for this Ligand-Target Pair |