BDBM51138 (5Z)-5-[(1-methyl-3-indolyl)methylidene]-4-sulfanylidene-2-thiazolidinone::(5Z)-5-[(1-methylindol-3-yl)methylene]-4-thioxo-thiazolidin-2-one::(5Z)-5-[(1-methylindol-3-yl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one::5-[(1-methyl-1H-indol-3-yl)methylene]-4-thioxo-1,3-thiazolidin-2-one::MLS000698017::SMR000225303::cid_1236521
SMILES: Cn1cc(C=C2SC(O)=NC2=S)c2ccccc12
InChI Key: InChIKey=MHNWGCUMEYITOR-UHFFFAOYSA-N
Data: 2 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Tyrosyl-DNA phosphodiesterase 1 (TDP1) (Homo sapiens (Human)) | BDBM51138 ((5Z)-5-[(1-methyl-3-indolyl)methylidene]-4-sulfany...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota Curated by ChEMBL | Assay Description Inhibition of human recombinant Tdp1 assessed as conversion of 14-mer 5'-32P-labeled 3'-phosphotyrosyl DNA substrate N14Y to 14-mer 5'-32P-labeled 3'... | J Med Chem 55: 8671-84 (2012) Article DOI: 10.1021/jm3008773 BindingDB Entry DOI: 10.7270/Q2MP54D1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
BZLF2 (Human herpesvirus 4 type 2) | BDBM51138 ((5Z)-5-[(1-methyl-3-indolyl)methylidene]-4-sulfany...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 3.07E+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: Theodore Jardetzky; Northw... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2057DCW | |||||||||||
More data for this Ligand-Target Pair |