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BDBM50241796 4-methylabyssinone V::CHEMBL470249::abyssinone-V-4'-O-methyl ether::cid_15382621
SMILES: [#6]-[#8]-c1c(-[#6]\[#6]=[#6](\[#6])-[#6])cc(cc1-[#6]\[#6]=[#6](\[#6])-[#6])-[#6@@H]-1-[#6]-[#6](=O)-c2c(-[#8])cc(-[#8])cc2-[#8]-1
InChI Key: InChIKey=JHEBMTRMMJXPTM-QHCPKHFHSA-N
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Hsf1 protein (Mus musculus) | BDBM50241796 (4-methylabyssinone V | CHEMBL470249 | abyssinone-V...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet  | Purchase CHEMBL PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 1.18E+4 | n/a | n/a | n/a | n/a |
Broad Institute Curated by PubChem BioAssay | Assay Description Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2MW2FKX | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| DNA damage-inducible transcript 3 protein (Mus musculus) | BDBM50241796 (4-methylabyssinone V | CHEMBL470249 | abyssinone-V...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 5.19E+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: Dr. Randal Kaufman, Univer... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2PC30VZ | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Protein-tyrosine phosphatase 1B (Homo sapiens (Human)) | BDBM50241796 (4-methylabyssinone V | CHEMBL470249 | abyssinone-V...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.63E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL | Assay Description Inhibition of human recombinant PTP1B | J Nat Prod 69: 1572-6 (2006) Article DOI: 10.1021/np0601861 BindingDB Entry DOI: 10.7270/Q2B8591J | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| DNA damage-inducible transcript 3 protein (Mus musculus) | BDBM50241796 (4-methylabyssinone V | CHEMBL470249 | abyssinone-V...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 5.19E+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: Dr. Randal Kaufman, Univer... | PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q28C9TQN | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| XBP1 (Homo sapiens (Human)) | BDBM50241796 (4-methylabyssinone V | CHEMBL470249 | abyssinone-V...) | KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 1.00E+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: Dr. Randal Kaufman, Univer... | PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2NK3CGB | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Glycogen synthase kinase-3 beta (Homo sapiens (Human)) | BDBM50241796 (4-methylabyssinone V | CHEMBL470249 | abyssinone-V...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | >3.00E+5 | n/a | n/a | n/a | n/a |
Broad Institute Curated by PubChem BioAssay | Assay Description Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2TX3CTT | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
