BDBM40586 2-[(2-ethyl-1-keto-7,8-dihydro-6H-cyclopenta[2,3]thieno[2,4-b]pyrimidin-3-yl)thio]propionic acid::2-[(2-ethyl-1-oxidanylidene-7,8-dihydro-6H-cyclopenta[2,3]thieno[2,4-b]pyrimidin-3-yl)sulfanyl]propanoic acid::2-[(2-ethyl-1-oxo-7,8-dihydro-6H-cyclopenta[2,3]thieno[2,4-b]pyrimidin-3-yl)sulfanyl]propanoic acid::2-[(2-ethyl-1-oxo-7,8-dihydro-6H-cyclopenta[2,3]thieno[2,4-b]pyrimidin-3-yl)thio]propanoic acid::MLS000069143::SMR000038886::cid_658014
SMILES: CCn1c(SC(C)C(O)=O)nc2sc3CCCc3c2c1=O
InChI Key: InChIKey=BWDMSMJXEZXAPE-UHFFFAOYSA-N
Data: 5 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 |
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nuclear receptor subfamily 4, group A, member 1 (Homo sapiens (Human)) | BDBM40586 (2-[(2-ethyl-1-keto-7,8-dihydro-6H-cyclopenta[2,3]t...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | PCBioAssay | n/a | n/a | 7.65E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q29C6VTK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Hematopoietic protein-tyrosine phosphatase (HEPTP) (Homo sapiens (Human)) | BDBM40586 (2-[(2-ethyl-1-keto-7,8-dihydro-6H-cyclopenta[2,3]t...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | PCBioAssay | n/a | n/a | 1.69E+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 (2008) BindingDB Entry DOI: 10.7270/Q2RJ4GWX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bcl-2-like protein 1 (Homo sapiens (Human)) | BDBM40586 (2-[(2-ethyl-1-keto-7,8-dihydro-6H-cyclopenta[2,3]t...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | PCBioAssay | n/a | n/a | 9.01E+4 | 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 (2009) BindingDB Entry DOI: 10.7270/Q2DF6PNW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human)) | BDBM40586 (2-[(2-ethyl-1-keto-7,8-dihydro-6H-cyclopenta[2,3]t...) | PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | PCBioAssay | n/a | n/a | 1.68E+4 | 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 (2009) BindingDB Entry DOI: 10.7270/Q2J67FCM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
BZLF2 (Human herpesvirus 4 type 2) | BDBM40586 (2-[(2-ethyl-1-keto-7,8-dihydro-6H-cyclopenta[2,3]t...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | PCBioAssay | n/a | n/a | 2.18E+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: Theodore Jardetzky; Northw... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2057DCW | |||||||||||
More data for this Ligand-Target Pair |