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Compile Data Set for Download or QSAR

Found 5 hits of ki for monomerid = 50244975   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Ras guanyl-releasing protein 3


(Homo sapiens (Human))
BDBM50244975
PNG
((E)-(2-(hydroxymethyl)-5-oxo-4-(pyridin-2-ylmethyl...)
Show SMILES COc1ccc(cc1)C(=O)OCC1(CO)C\C(=C/c2ccccn2)C(=O)O1
Show InChI InChI=1S/C20H19NO6/c1-25-17-7-5-14(6-8-17)18(23)26-13-20(12-22)11-15(19(24)27-20)10-16-4-2-3-9-21-16/h2-10,22H,11-13H2,1H3/b15-10+
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Article
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36n/an/an/an/an/an/an/an/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
PNG
((E)-(2-(hydroxymethyl)-5-oxo-4-(pyridin-2-ylmethyl...)
Show SMILES COc1ccc(cc1)C(=O)OCC1(CO)C\C(=C/c2ccccn2)C(=O)O1
Show InChI InChI=1S/C20H19NO6/c1-25-17-7-5-14(6-8-17)18(23)26-13-20(12-22)11-15(19(24)27-20)10-16-4-2-3-9-21-16/h2-10,22H,11-13H2,1H3/b15-10+
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90n/an/an/an/an/an/an/an/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 epsilon type


(Homo sapiens (Human))
BDBM50244975
PNG
((E)-(2-(hydroxymethyl)-5-oxo-4-(pyridin-2-ylmethyl...)
Show SMILES COc1ccc(cc1)C(=O)OCC1(CO)C\C(=C/c2ccccn2)C(=O)O1
Show InChI InChI=1S/C20H19NO6/c1-25-17-7-5-14(6-8-17)18(23)26-13-20(12-22)11-15(19(24)27-20)10-16-4-2-3-9-21-16/h2-10,22H,11-13H2,1H3/b15-10+
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199n/an/an/an/an/an/an/an/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
PNG
((E)-(2-(hydroxymethyl)-5-oxo-4-(pyridin-2-ylmethyl...)
Show SMILES COc1ccc(cc1)C(=O)OCC1(CO)C\C(=C/c2ccccn2)C(=O)O1
Show InChI InChI=1S/C20H19NO6/c1-25-17-7-5-14(6-8-17)18(23)26-13-20(12-22)11-15(19(24)27-20)10-16-4-2-3-9-21-16/h2-10,22H,11-13H2,1H3/b15-10+
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1.13E+3n/an/an/an/an/an/an/an/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 alpha type


(Homo sapiens (Human))
BDBM50244975
PNG
((E)-(2-(hydroxymethyl)-5-oxo-4-(pyridin-2-ylmethyl...)
Show SMILES COc1ccc(cc1)C(=O)OCC1(CO)C\C(=C/c2ccccn2)C(=O)O1
Show InChI InChI=1S/C20H19NO6/c1-25-17-7-5-14(6-8-17)18(23)26-13-20(12-22)11-15(19(24)27-20)10-16-4-2-3-9-21-16/h2-10,22H,11-13H2,1H3/b15-10+
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1.19E+3n/an/an/an/an/an/an/an/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