BDBM50244449 (E)-(2-(hydroxymethyl)-4-((1-methyl-1H-indol-3-yl)methylene)-5-oxo-tetrahydrofuran-2-yl)methyl 2-propylpentanoate::CHEMBL519741
SMILES: CCCC(CCC)C(=O)OCC1(CO)C\C(=C/c2cn(C)c3ccccc23)C(=O)O1
InChI Key: InChIKey=SIWILCBNYOGJQH-LDADJPATSA-N
Data: 12 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)) | BDBM50244449 ((E)-(2-(hydroxymethyl)-4-((1-methyl-1H-indol-3-yl)...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.180 | 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 1 (Homo sapiens (Human)) | BDBM50244449 ((E)-(2-(hydroxymethyl)-4-((1-methyl-1H-indol-3-yl)...) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Industrial Technology Curated by ChEMBL | Assay Description Displacement of [3H]PDBu from recombinant RasGRP1 C1 domain (unknown origin) after 10 mins by scintillation counting analysis in presence of phosphat... | Bioorg Med Chem 22: 3123-40 (2014) Article DOI: 10.1016/j.bmc.2014.04.024 BindingDB Entry DOI: 10.7270/Q2P270QK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
RAS guanyl releasing protein 3 (Homo sapiens (Human)) | BDBM50244449 ((E)-(2-(hydroxymethyl)-4-((1-methyl-1H-indol-3-yl)...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.330 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Industrial Technology Curated by ChEMBL | Assay Description Displacement of [3H]PDBu from recombinant human GFP-tagged RasGRP3 expressed in Escherichia coli BL21 after 5 mins by scintillation counting analysis... | Bioorg Med Chem 22: 3123-40 (2014) Article DOI: 10.1016/j.bmc.2014.04.024 BindingDB Entry DOI: 10.7270/Q2P270QK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
RAS guanyl-releasing protein 1 (Homo sapiens (Human)) | BDBM50244449 ((E)-(2-(hydroxymethyl)-4-((1-methyl-1H-indol-3-yl)...) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.580 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Industrial Technology Curated by ChEMBL | Assay Description Displacement of [20-3H]phorbol 12,13-dibutyrate from RasGRP1 (unknown origin) in the presence of porcine brain phosphatidylserine by scintillation co... | Bioorg Med Chem 25: 2971-2980 (2017) Article DOI: 10.1016/j.bmc.2017.03.022 BindingDB Entry DOI: 10.7270/Q28P62P2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
RAS guanyl releasing protein 3 (Homo sapiens (Human)) | BDBM50244449 ((E)-(2-(hydroxymethyl)-4-((1-methyl-1H-indol-3-yl)...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.840 | 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 | |||||||||||||
PKC alpha and beta-2 (Homo sapiens (Human)) | BDBM50244449 ((E)-(2-(hydroxymethyl)-4-((1-methyl-1H-indol-3-yl)...) | 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 | 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Industrial Technology Curated by ChEMBL | Assay Description Displacement of [20-3H]phorbol 12,13-dibutyrate from PKCalpha (unknown origin) in the presence of porcine brain phosphatidylserine by scintillation c... | Bioorg Med Chem 25: 2971-2980 (2017) Article DOI: 10.1016/j.bmc.2017.03.022 BindingDB Entry DOI: 10.7270/Q28P62P2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protein kinase C alpha type (Homo sapiens (Human)) | BDBM50244449 ((E)-(2-(hydroxymethyl)-4-((1-methyl-1H-indol-3-yl)...) | 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 | 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Industrial Technology Curated by ChEMBL | Assay Description Displacement of [3H]PDBu from recombinant human PKC-alpha after 5 mins by scintillation counting analysis in presence of phosphatidylserine | Bioorg Med Chem 22: 3123-40 (2014) Article DOI: 10.1016/j.bmc.2014.04.024 BindingDB Entry DOI: 10.7270/Q2P270QK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protein kinase C, epsilon (Homo sapiens (Human)) | BDBM50244449 ((E)-(2-(hydroxymethyl)-4-((1-methyl-1H-indol-3-yl)...) | 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 | 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Industrial Technology Curated by ChEMBL | Assay Description Displacement of [3H]PDBu from recombinant human PKC-epsilon after 5 mins by scintillation counting analysis in presence of phosphatidylserine | Bioorg Med Chem 22: 3123-40 (2014) Article DOI: 10.1016/j.bmc.2014.04.024 BindingDB Entry DOI: 10.7270/Q2P270QK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protein kinase C alpha type (Homo sapiens (Human)) | BDBM50244449 ((E)-(2-(hydroxymethyl)-4-((1-methyl-1H-indol-3-yl)...) | 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 | 30 | 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 | |||||||||||||
Protein kinase C, PKC; classical/novel (Homo sapiens (Human)) | BDBM50244449 ((E)-(2-(hydroxymethyl)-4-((1-methyl-1H-indol-3-yl)...) | 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 | 31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Industrial Technology Curated by ChEMBL | Assay Description Displacement of [20-3H]phorbol 12,13-dibutyrate from PKCepsilon (unknown origin) in the presence of porcine brain phosphatidylserine by scintillation... | Bioorg Med Chem 25: 2971-2980 (2017) Article DOI: 10.1016/j.bmc.2017.03.022 BindingDB Entry DOI: 10.7270/Q28P62P2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
PKC alpha and beta-2 (Homo sapiens (Human)) | BDBM50244449 ((E)-(2-(hydroxymethyl)-4-((1-methyl-1H-indol-3-yl)...) | 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 | 32 | 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, PKC; classical/novel (Homo sapiens (Human)) | BDBM50244449 ((E)-(2-(hydroxymethyl)-4-((1-methyl-1H-indol-3-yl)...) | 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 | 43 | 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 |