BDBM50015677 (S)-1-hydroxymethyl-2-octanoyloxy-ethyl ester::1,2-Dioctanoyl glycerol::1,2-dioctanoyl-sn-glycerol::CHEMBL55267::Octanoic acid 1-hydroxymethyl-2-octanoyloxy-ethyl ester::Octanoic acid 1-hydroxymethyl-2-octanoyloxy-ethyl ester(diC8)
SMILES: CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC
InChI Key: InChIKey=ZQBULZYTDGUSSK-KRWDZBQOSA-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 |
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Protein kinase C delta type (Homo sapiens (Human)) | BDBM50015677 ((S)-1-hydroxymethyl-2-octanoyloxy-ethyl ester | 1,...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | 6.80 | -10.9 | n/a | n/a | n/a | n/a | n/a | 7.4 | 18 |
National Institutes of Health | Assay Description [3H]PDBu binding to the C1 domains of MRCK alpha/beta and PKC alpha/delta was measured using the polyethylene glycol precipitation assay. | J Biol Chem 283: 10543-9 (2008) Article DOI: 10.1074/jbc.M707463200 BindingDB Entry DOI: 10.7270/Q2CF9NQ6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protein kinase C eta (Mus musculus) | BDBM50015677 ((S)-1-hydroxymethyl-2-octanoyloxy-ethyl ester | 1,...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article | 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of [3H]- PDBu binding to peptide D of mouse skin Protein kinase C eta | Bioorg Med Chem Lett 6: 353-356 (1996) Article DOI: 10.1016/0960-894X(96)00026-1 BindingDB Entry DOI: 10.7270/Q2NG4QMM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protein Kinase C, alpha (Bos taurus (bovine)) | BDBM50015677 ((S)-1-hydroxymethyl-2-octanoyloxy-ethyl ester | 1,...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | PubMed | 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute at Frederick Curated by ChEMBL | Assay Description Ability to displace bound [20-3H]-PDBU from a recombinant single isozyme (PKCalpha) in the presence of phosphatidylserine | J Med Chem 44: 1892-904 (2001) BindingDB Entry DOI: 10.7270/Q2H995WH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protein kinase C alpha type (Homo sapiens (Human)) | BDBM50015677 ((S)-1-hydroxymethyl-2-octanoyloxy-ethyl ester | 1,...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | PubMed | 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute Curated by ChEMBL | Assay Description Displacement of [20-3H] phorbol 12,13-dibutyrate from protein kinase C alpha | Bioorg Med Chem Lett 10: 653-5 (2000) BindingDB Entry DOI: 10.7270/Q2G16011 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protein kinase C alpha type (Homo sapiens (Human)) | BDBM50015677 ((S)-1-hydroxymethyl-2-octanoyloxy-ethyl ester | 1,...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Helsinki Curated by ChEMBL | Assay Description Displacement of [3H]PDBu from human recombinant PKCalpha expressed in Sf9 cells by liquid scintillation counting | J Med Chem 52: 3969-81 (2009) Article DOI: 10.1021/jm900229p BindingDB Entry DOI: 10.7270/Q2ZK5GJ1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serine/threonine-protein kinase MRCK alpha (Homo sapiens (Human)) | BDBM50015677 ((S)-1-hydroxymethyl-2-octanoyloxy-ethyl ester | 1,...) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | 2.82E+3 | -7.39 | n/a | n/a | n/a | n/a | n/a | 7.4 | 18 |
National Institutes of Health | Assay Description [3H]PDBu binding to the C1 domains of MRCK alpha/beta and PKC alpha/delta was measured using the polyethylene glycol precipitation assay. | J Biol Chem 283: 10543-9 (2008) Article DOI: 10.1074/jbc.M707463200 BindingDB Entry DOI: 10.7270/Q2CF9NQ6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protein kinase C gamma (Rattus norvegicus) | BDBM50015677 ((S)-1-hydroxymethyl-2-octanoyloxy-ethyl ester | 1,...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article | 2.93E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of [3H]- PDBu binding to peptide C, rat brain PKC gamma | Bioorg Med Chem Lett 6: 353-356 (1996) Article DOI: 10.1016/0960-894X(96)00026-1 BindingDB Entry DOI: 10.7270/Q2NG4QMM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protein kinase C alpha type (Homo sapiens (Human)) | BDBM50015677 ((S)-1-hydroxymethyl-2-octanoyloxy-ethyl ester | 1,...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | 6.70E+3 | -6.89 | n/a | n/a | n/a | n/a | n/a | 7.4 | 18 |
National Institutes of Health | Assay Description [3H]PDBu binding to the C1 domains of MRCK alpha/beta and PKC alpha/delta was measured using the polyethylene glycol precipitation assay. | J Biol Chem 283: 10543-9 (2008) Article DOI: 10.1074/jbc.M707463200 BindingDB Entry DOI: 10.7270/Q2CF9NQ6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serine/threonine-protein kinase MRCK beta (Homo sapiens (Human)) | BDBM50015677 ((S)-1-hydroxymethyl-2-octanoyloxy-ethyl ester | 1,...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | 6.96E+3 | -6.87 | n/a | n/a | n/a | n/a | n/a | 7.4 | 18 |
National Institutes of Health | Assay Description [3H]PDBu binding to the C1 domains of MRCK alpha/beta and PKC alpha/delta was measured using the polyethylene glycol precipitation assay. | J Biol Chem 283: 10543-9 (2008) Article DOI: 10.1074/jbc.M707463200 BindingDB Entry DOI: 10.7270/Q2CF9NQ6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protein kinase C theta type (Homo sapiens (Human)) | BDBM50015677 ((S)-1-hydroxymethyl-2-octanoyloxy-ethyl ester | 1,...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 5.24E+3 | n/a | n/a | n/a | n/a |
University of Houston Curated by ChEMBL | Assay Description Binding affinity to GST-tagged PKCtheta expressed in Escherichia coli BL21(DE3) by fluorescence quenching | Bioorg Med Chem 18: 1591-8 (2010) Article DOI: 10.1016/j.bmc.2009.12.075 BindingDB Entry DOI: 10.7270/Q2KP834V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protein kinase C delta type (Homo sapiens (Human)) | BDBM50015677 ((S)-1-hydroxymethyl-2-octanoyloxy-ethyl ester | 1,...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 1.62E+4 | n/a | n/a | n/a | n/a |
University of Houston Curated by ChEMBL | Assay Description Binding affinity to GST-tagged PKCdelta expressed in Escherichia coli BL21(DE3) by fluorescence quenching | Bioorg Med Chem 18: 1591-8 (2010) Article DOI: 10.1016/j.bmc.2009.12.075 BindingDB Entry DOI: 10.7270/Q2KP834V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protein kinase C, epsilon (Homo sapiens (Human)) | BDBM50015677 ((S)-1-hydroxymethyl-2-octanoyloxy-ethyl ester | 1,...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 8.19E+3 | n/a | n/a | n/a | n/a |
University of Houston Curated by ChEMBL | Assay Description Binding affinity to GST-tagged PKCepsilon expressed in Escherichia coli BL21(DE3) by fluorescence quenching | Bioorg Med Chem 18: 1591-8 (2010) Article DOI: 10.1016/j.bmc.2009.12.075 BindingDB Entry DOI: 10.7270/Q2KP834V | |||||||||||
More data for this Ligand-Target Pair |