BDBM61211 (6E)-5-azanylidene-6-[[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]methylidene]-2-(furan-2-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one::(6E)-6-[(1-benzyl-2,5-dimethyl-pyrrol-3-yl)methylene]-2-(2-furyl)-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one::(6E)-6-[(1-benzyl-2,5-dimethylpyrrol-3-yl)methylidene]-2-(furan-2-yl)-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one::(6E)-6-[[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]methylidene]-2-(2-furanyl)-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one::6-[1-(1-Benzyl-2,5-dimethyl-1H-pyrrol-3-yl)-meth-(E)-ylidene]-2-furan-2-yl-5-imino-5,6-dihydro-[1,3,4]thia diazolo[3,2-a]pyrimidin-7-one::MLS000762668::SMR000438147::cid_16422746
SMILES: Cc1cc(\C=C2\C(=O)N=C3SC(=NN3C2=N)c2ccco2)c(C)n1Cc1ccccc1
InChI Key: InChIKey=MZZYHZSXZOWOGU-ODJOWLHGSA-N
Data: 3 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
ubiquitin-conjugating enzyme E2I (Homo sapiens (Human)) | BDBM61211 ((6E)-5-azanylidene-6-[[2,5-dimethyl-1-(phenylmethy...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 8.55E+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 (2010) BindingDB Entry DOI: 10.7270/Q2V986G8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Homo sapiens huntingtin (HTT), mRNA (Homo sapiens (Human)) | BDBM61211 ((6E)-5-azanylidene-6-[[2,5-dimethyl-1-(phenylmethy...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 4.06E+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 (2013) BindingDB Entry DOI: 10.7270/Q2N58K09 | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
SUMO1 activating enzyme subunit 1 (Homo sapiens (Human)) | BDBM61211 ((6E)-5-azanylidene-6-[[2,5-dimethyl-1-(phenylmethy...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 7.54E+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 (2010) BindingDB Entry DOI: 10.7270/Q2BP0175 | |||||||||||
More data for this Ligand-Target Pair |