BDBM50244643 CHEMBL452307::rac-(E)-(4-{[4-(Dimethylamino)phenyl]methylene}-2-(hydroxymethyl)-5-oxo-2-2,3-dihydrofuryl)methyl 4-(Dimethylamino)benzoate::rac-(E/Z)-(4-(4-(dimethylamino)benzylidene)-2-(hydroxymethyl)-5-oxo-tetrahydrofuran-2-yl)methyl 4-(dimethylamino)benzoate
SMILES: CN(C)c1ccc(\C=C2/CC(CO)(COC(=O)c3ccc(cc3)N(C)C)OC2=O)cc1
InChI Key: InChIKey=FPXKHLLFINPQDM-CPNJWEJPSA-N
Data: 6 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)) | BDBM50244643 (CHEMBL452307 | rac-(E)-(4-{[4-(Dimethylamino)pheny...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 4.68 | 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 Binding affinity to RasGRP3 (unknown origin) | J Med Chem 51: 5198-220 (2008) Article DOI: 10.1021/jm8001907 BindingDB Entry DOI: 10.7270/Q2G44Q4B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
RAS guanyl releasing protein 3 (Homo sapiens (Human)) | BDBM50244643 (CHEMBL452307 | rac-(E)-(4-{[4-(Dimethylamino)pheny...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 27 | 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)) | BDBM50244643 (CHEMBL452307 | rac-(E)-(4-{[4-(Dimethylamino)pheny...) | 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 | 39 | 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 (MOUSE) | BDBM50244643 (CHEMBL452307 | rac-(E)-(4-{[4-(Dimethylamino)pheny...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 102 | 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 form mouse PKCalpha by scintillation counting | J Med Chem 51: 5198-220 (2008) Article DOI: 10.1021/jm8001907 BindingDB Entry DOI: 10.7270/Q2G44Q4B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
PKC alpha and beta-2 (Homo sapiens (Human)) | BDBM50244643 (CHEMBL452307 | rac-(E)-(4-{[4-(Dimethylamino)pheny...) | 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 | 252 | 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 | |||||||||||||
Protein kinase C (MOUSE) | BDBM50244643 (CHEMBL452307 | rac-(E)-(4-{[4-(Dimethylamino)pheny...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.08E+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 form mouse PKCalpha by scintillation counting | J Med Chem 51: 5198-220 (2008) Article DOI: 10.1021/jm8001907 BindingDB Entry DOI: 10.7270/Q2G44Q4B | |||||||||||
More data for this Ligand-Target Pair |