BDBM50106244 6-[9-[1-formyl-(Z)-ethylidene]-1,6-dihydroxy-10-(3-hydroxypropyl)-6-methyl-(5S,6S)-spiro[4.5]dec-2-yl]-2-(4-methyl-3-pentenyl)-(2Z,4E)-2,4,6-heptatrienyl acetate::CHEMBL123519
SMILES: [#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6]-[#8]-[#6](-[#6])=O)=[#6]\[#6]=[#6]\[#6](=[#6])-[#6@@H]-1-[#6]-[#6][C@@]2([#6@@H]-1-[#8])[#6@H](-[#6]-[#6]-[#6]-[#8])\[#6](-[#6]-[#6][C@]2([#6])[#8])=[#6](\[#6])-[#6]=O
InChI Key: InChIKey=KPFIRSWIEJGVNZ-DDKMFYJYSA-N
Data: 2 KI
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Ras guanyl-releasing protein 3 (Homo sapiens (Human)) | BDBM50106244 (6-[9-[1-formyl-(Z)-ethylidene]-1,6-dihydroxy-10-(3...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | 42 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan Cancer Center Curated by ChEMBL | Assay Description Binding affinity for RasGPR3, guanine nucleotide exchange factor | J Med Chem 44: 3872-80 (2001) BindingDB Entry DOI: 10.7270/Q2Z037F5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protein kinase C alpha type (Homo sapiens (Human)) | BDBM50106244 (6-[9-[1-formyl-(Z)-ethylidene]-1,6-dihydroxy-10-(3...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | 84 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan Cancer Center Curated by ChEMBL | Assay Description Binding affinity for PKC alpha (C1b domain) | J Med Chem 44: 3872-80 (2001) BindingDB Entry DOI: 10.7270/Q2Z037F5 | |||||||||||
More data for this Ligand-Target Pair |