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

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50244449   

TargetRas guanyl-releasing protein 3(Homo sapiens (Human))
National Cancer Institute-Frederick

Curated by ChEMBL
LigandPNGBDBM50244449((E)-(2-(hydroxymethyl)-4-((1-methyl-1H-indol-3-yl)...)
Affinity DataKi:  0.180nMAssay Description:Displacement of [3H]PDBu from RasGRP3 (unknown origin) expressed in cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRAS guanyl-releasing protein 1(Homo sapiens (Human))
National Institute Of Industrial Technology

Curated by ChEMBL
LigandPNGBDBM50244449((E)-(2-(hydroxymethyl)-4-((1-methyl-1H-indol-3-yl)...)
Affinity DataKi:  0.25nMAssay Description:Displacement of [3H]PDBu from recombinant RasGRP1 C1 domain (unknown origin) after 10 mins by scintillation counting analysis in presence of phosphat...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRas guanyl-releasing protein 3(Homo sapiens (Human))
National Cancer Institute-Frederick

Curated by ChEMBL
LigandPNGBDBM50244449((E)-(2-(hydroxymethyl)-4-((1-methyl-1H-indol-3-yl)...)
Affinity DataKi:  0.330nMAssay Description:Displacement of [3H]PDBu from recombinant human GFP-tagged RasGRP3 expressed in Escherichia coli BL21 after 5 mins by scintillation counting analysis...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRAS guanyl-releasing protein 1(Homo sapiens (Human))
National Institute Of Industrial Technology

Curated by ChEMBL
LigandPNGBDBM50244449((E)-(2-(hydroxymethyl)-4-((1-methyl-1H-indol-3-yl)...)
Affinity DataKi:  0.580nMAssay Description:Displacement of [20-3H]phorbol 12,13-dibutyrate from RasGRP1 (unknown origin) in the presence of porcine brain phosphatidylserine by scintillation co...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRas guanyl-releasing protein 3(Homo sapiens (Human))
National Cancer Institute-Frederick

Curated by ChEMBL
LigandPNGBDBM50244449((E)-(2-(hydroxymethyl)-4-((1-methyl-1H-indol-3-yl)...)
Affinity DataKi:  0.840nMAssay Description:Displacement of [3H]PDBu from full length MBP-tagged human RasGRP3 expressed in Escherichia coli BL21 (DE3) after 5 mins by scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProtein kinase C alpha type(Homo sapiens (Human))
National Institute Of Industrial Technology

Curated by ChEMBL
LigandPNGBDBM50244449((E)-(2-(hydroxymethyl)-4-((1-methyl-1H-indol-3-yl)...)
Affinity DataKi:  13nMAssay Description:Displacement of [20-3H]phorbol 12,13-dibutyrate from PKCalpha (unknown origin) in the presence of porcine brain phosphatidylserine by scintillation c...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProtein kinase C alpha type(Homo sapiens (Human))
National Institute Of Industrial Technology

Curated by ChEMBL
LigandPNGBDBM50244449((E)-(2-(hydroxymethyl)-4-((1-methyl-1H-indol-3-yl)...)
Affinity DataKi:  16nMAssay Description:Displacement of [3H]PDBu from recombinant human PKC-alpha after 5 mins by scintillation counting analysis in presence of phosphatidylserineMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProtein kinase C epsilon type(Homo sapiens (Human))
National Institute Of Industrial Technology

Curated by ChEMBL
LigandPNGBDBM50244449((E)-(2-(hydroxymethyl)-4-((1-methyl-1H-indol-3-yl)...)
Affinity DataKi:  21nMAssay Description:Displacement of [3H]PDBu from recombinant human PKC-epsilon after 5 mins by scintillation counting analysis in presence of phosphatidylserineMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProtein kinase C alpha type(Homo sapiens (Human))
National Institute Of Industrial Technology

Curated by ChEMBL
LigandPNGBDBM50244449((E)-(2-(hydroxymethyl)-4-((1-methyl-1H-indol-3-yl)...)
Affinity DataKi:  30nMAssay Description:Displacement of [3H]PDBu from human recombinant PKCalpha expressed in Escherichia coli BL21-21-Gold (DE3)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProtein kinase C epsilon type(Homo sapiens (Human))
National Institute Of Industrial Technology

Curated by ChEMBL
LigandPNGBDBM50244449((E)-(2-(hydroxymethyl)-4-((1-methyl-1H-indol-3-yl)...)
Affinity DataKi:  31nMAssay Description:Displacement of [20-3H]phorbol 12,13-dibutyrate from PKCepsilon (unknown origin) in the presence of porcine brain phosphatidylserine by scintillation...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProtein kinase C alpha type(Homo sapiens (Human))
National Institute Of Industrial Technology

Curated by ChEMBL
LigandPNGBDBM50244449((E)-(2-(hydroxymethyl)-4-((1-methyl-1H-indol-3-yl)...)
Affinity DataKi:  32nMAssay Description:Displacement of [3H]PDBu from full length recombinant human PKCalpha expressed in baculovirus expression system after 5 mins by scintillation countin...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProtein kinase C epsilon type(Homo sapiens (Human))
National Institute Of Industrial Technology

Curated by ChEMBL
LigandPNGBDBM50244449((E)-(2-(hydroxymethyl)-4-((1-methyl-1H-indol-3-yl)...)
Affinity DataKi:  43nMAssay Description:Displacement of [3H]PDBu from full length recombinant human PKCepsilon expressed in baculovirus expression system after 5 mins by scintillation count...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed