BDBM50244975 (E)-(2-(hydroxymethyl)-5-oxo-4-(pyridin-2-ylmethylene)-tetrahydrofuran-2-yl)methyl 4-methoxybenzoate::CHEMBL470094
SMILES: COc1ccc(cc1)C(=O)OCC1(CO)C\C(=C/c2ccccn2)C(=O)O1
InChI Key: InChIKey=YYDMEIVVYUPBAW-XNTDXEJSSA-N
Data: 5 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)) | BDBM50244975 ((E)-(2-(hydroxymethyl)-5-oxo-4-(pyridin-2-ylmethyl...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 36 | 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 Displacement of [3H]PDBu from RasGRP3 (unknown origin) expressed in cells | J Med Chem 51: 5371-86 (2008) Article DOI: 10.1021/jm800380b BindingDB Entry DOI: 10.7270/Q21V5DSQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
RAS guanyl releasing protein 3 (Homo sapiens (Human)) | BDBM50244975 ((E)-(2-(hydroxymethyl)-5-oxo-4-(pyridin-2-ylmethyl...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University Curated by ChEMBL | Assay Description Displacement of [3H]PDBu from full length MBP-tagged human RasGRP3 expressed in Escherichia coli BL21 (DE3) after 5 mins by scintillation counting | J Med Chem 61: 6261-6276 (2018) Article DOI: 10.1021/acs.jmedchem.8b00661 BindingDB Entry DOI: 10.7270/Q28P632D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protein kinase C, PKC; classical/novel (Homo sapiens (Human)) | BDBM50244975 ((E)-(2-(hydroxymethyl)-5-oxo-4-(pyridin-2-ylmethyl...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 199 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University Curated by ChEMBL | Assay Description Displacement of [3H]PDBu from full length recombinant human PKCepsilon expressed in baculovirus expression system after 5 mins by scintillation count... | J Med Chem 61: 6261-6276 (2018) Article DOI: 10.1021/acs.jmedchem.8b00661 BindingDB Entry DOI: 10.7270/Q28P632D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protein kinase C alpha type (Homo sapiens (Human)) | BDBM50244975 ((E)-(2-(hydroxymethyl)-5-oxo-4-(pyridin-2-ylmethyl...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.13E+3 | 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 Displacement of [3H]PDBu from human recombinant PKCalpha expressed in Escherichia coli BL21-21-Gold (DE3) | J Med Chem 51: 5371-86 (2008) Article DOI: 10.1021/jm800380b BindingDB Entry DOI: 10.7270/Q21V5DSQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
PKC alpha and beta-2 (Homo sapiens (Human)) | BDBM50244975 ((E)-(2-(hydroxymethyl)-5-oxo-4-(pyridin-2-ylmethyl...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.19E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University Curated by ChEMBL | Assay Description Displacement of [3H]PDBu from full length recombinant human PKCalpha expressed in baculovirus expression system after 5 mins by scintillation countin... | J Med Chem 61: 6261-6276 (2018) Article DOI: 10.1021/acs.jmedchem.8b00661 BindingDB Entry DOI: 10.7270/Q28P632D | |||||||||||
More data for this Ligand-Target Pair |