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7 similar compounds to monomer 50244449

Compile data set for download or QSAR
Wt: 441.5
BDBM50244451
Wt: 421.4
BDBM50244481
Wt: 434.4
BDBM50244974
Wt: 413.5
BDBM50017889
Wt: 413.5
BDBM50017891
Wt: 413.5
BDBM50017890
Wt: 413.5
BDBM50017892

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 22 hits for monomerid = 50244451,50244481,50244974,50017889,50017891,50017890,50017892   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
RAS guanyl releasing protein 3


(Homo sapiens (Human))
BDBM50017890
PNG
(CHEMBL3289012)
Show SMILES CCCC(CCC)C(=O)OCC1(CO)C\C(=C/c2ccc3n(C)ccc3c2)C(=O)O1
Show InChI InChI=1S/C24H31NO5/c1-4-6-18(7-5-2)22(27)29-16-24(15-26)14-20(23(28)30-24)13-17-8-9-21-19(12-17)10-11-25(21)3/h8-13,18,26H,4-7,14-16H2,1-3H3/b20-13+
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0.340n/an/an/an/an/an/an/an/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))
BDBM50017890
PNG
(CHEMBL3289012)
Show SMILES CCCC(CCC)C(=O)OCC1(CO)C\C(=C/c2ccc3n(C)ccc3c2)C(=O)O1
Show InChI InChI=1S/C24H31NO5/c1-4-6-18(7-5-2)22(27)29-16-24(15-26)14-20(23(28)30-24)13-17-8-9-21-19(12-17)10-11-25(21)3/h8-13,18,26H,4-7,14-16H2,1-3H3/b20-13+
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0.410n/an/an/an/an/an/an/an/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 1


(Homo sapiens (Human))
BDBM50017892
PNG
(CHEMBL3289014)
Show SMILES CCCC(CCC)C(=O)OCC1(CO)C\C(=C/c2cccc3ccn(C)c23)C(=O)O1
Show InChI InChI=1S/C24H31NO5/c1-4-7-18(8-5-2)22(27)29-16-24(15-26)14-20(23(28)30-24)13-19-10-6-9-17-11-12-25(3)21(17)19/h6,9-13,18,26H,4-5,7-8,14-16H2,1-3H3/b20-13+
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0.690n/an/an/an/an/an/an/an/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))
BDBM50244451
PNG
((E)-(2-(hydroxymethyl)-4-((1-methyl-1H-indol-3-yl)...)
Show SMILES CC(C)CC(CC(C)C)C(=O)OCC1(CO)C\C(=C/c2cn(C)c3ccccc23)C(=O)O1
Show InChI InChI=1S/C26H35NO5/c1-17(2)10-19(11-18(3)4)24(29)31-16-26(15-28)13-20(25(30)32-26)12-21-14-27(5)23-9-7-6-8-22(21)23/h6-9,12,14,17-19,28H,10-11,13,15-16H2,1-5H3/b20-12+
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0.700n/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 1


(Homo sapiens (Human))
BDBM50017891
PNG
(CHEMBL3289013)
Show SMILES CCCC(CCC)C(=O)OCC1(CO)C\C(=C/c2ccc3ccn(C)c3c2)C(=O)O1
Show InChI InChI=1S/C24H31NO5/c1-4-6-19(7-5-2)22(27)29-16-24(15-26)14-20(23(28)30-24)12-17-8-9-18-10-11-25(3)21(18)13-17/h8-13,19,26H,4-7,14-16H2,1-3H3/b20-12+
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0.870n/an/an/an/an/an/an/an/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))
BDBM50017892
PNG
(CHEMBL3289014)
Show SMILES CCCC(CCC)C(=O)OCC1(CO)C\C(=C/c2cccc3ccn(C)c23)C(=O)O1
Show InChI InChI=1S/C24H31NO5/c1-4-7-18(8-5-2)22(27)29-16-24(15-26)14-20(23(28)30-24)13-19-10-6-9-17-11-12-25(3)21(17)19/h6,9-13,18,26H,4-5,7-8,14-16H2,1-3H3/b20-13+
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1.10n/an/an/an/an/an/an/an/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 3


(Homo sapiens (Human))
BDBM50017891
PNG
(CHEMBL3289013)
Show SMILES CCCC(CCC)C(=O)OCC1(CO)C\C(=C/c2ccc3ccn(C)c3c2)C(=O)O1
Show InChI InChI=1S/C24H31NO5/c1-4-6-19(7-5-2)22(27)29-16-24(15-26)14-20(23(28)30-24)12-17-8-9-18-10-11-25(3)21(18)13-17/h8-13,19,26H,4-7,14-16H2,1-3H3/b20-12+
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1.20n/an/an/an/an/an/an/an/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))
BDBM50017889
PNG
(CHEMBL3289011)
Show SMILES CCCC(CCC)C(=O)OCC1(CO)C\C(=C/c2cccc3n(C)ccc23)C(=O)O1
Show InChI InChI=1S/C24H31NO5/c1-4-7-17(8-5-2)22(27)29-16-24(15-26)14-19(23(28)30-24)13-18-9-6-10-21-20(18)11-12-25(21)3/h6,9-13,17,26H,4-5,7-8,14-16H2,1-3H3/b19-13+
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1.60n/an/an/an/an/an/an/an/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))
BDBM50017889
PNG
(CHEMBL3289011)
Show SMILES CCCC(CCC)C(=O)OCC1(CO)C\C(=C/c2cccc3n(C)ccc23)C(=O)O1
Show InChI InChI=1S/C24H31NO5/c1-4-7-17(8-5-2)22(27)29-16-24(15-26)14-19(23(28)30-24)13-18-9-6-10-21-20(18)11-12-25(21)3/h6,9-13,17,26H,4-5,7-8,14-16H2,1-3H3/b19-13+
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1.60n/an/an/an/an/an/an/an/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
Protein kinase C, epsilon


(Homo sapiens (Human))
BDBM50017890
PNG
(CHEMBL3289012)
Show SMILES CCCC(CCC)C(=O)OCC1(CO)C\C(=C/c2ccc3n(C)ccc3c2)C(=O)O1
Show InChI InChI=1S/C24H31NO5/c1-4-6-18(7-5-2)22(27)29-16-24(15-26)14-20(23(28)30-24)13-17-8-9-21-19(12-17)10-11-25(21)3/h8-13,18,26H,4-7,14-16H2,1-3H3/b20-13+
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2.20n/an/an/an/an/an/an/an/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
RAS guanyl releasing protein 3


(Homo sapiens (Human))
BDBM50244481
PNG
((E)-(2-(hydroxymethyl)-4-((1-methyl-1H-indol-3-yl)...)
Show SMILES COc1ccc(cc1)C(=O)OCC1(CO)C\C(=C/c2cn(C)c3ccccc23)C(=O)O1
Show InChI InChI=1S/C24H23NO6/c1-25-13-18(20-5-3-4-6-21(20)25)11-17-12-24(14-26,31-23(17)28)15-30-22(27)16-7-9-19(29-2)10-8-16/h3-11,13,26H,12,14-15H2,1-2H3/b17-11+
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3.30n/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))
BDBM50244974
PNG
((E)-(2-(hydroxymethyl)-4-((1-methyl-1H-indol-3-yl)...)
Show SMILES CN(C)c1ccc(cc1)C(=O)OCC1(CO)C\C(=C/c2cn(C)c3ccccc23)C(=O)O1
Show InChI InChI=1S/C25H26N2O5/c1-26(2)20-10-8-17(9-11-20)23(29)31-16-25(15-28)13-18(24(30)32-25)12-19-14-27(3)22-7-5-4-6-21(19)22/h4-12,14,28H,13,15-16H2,1-3H3/b18-12+
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3.70n/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
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50017891
PNG
(CHEMBL3289013)
Show SMILES CCCC(CCC)C(=O)OCC1(CO)C\C(=C/c2ccc3ccn(C)c3c2)C(=O)O1
Show InChI InChI=1S/C24H31NO5/c1-4-6-19(7-5-2)22(27)29-16-24(15-26)14-20(23(28)30-24)12-17-8-9-18-10-11-25(3)21(18)13-17/h8-13,19,26H,4-7,14-16H2,1-3H3/b20-12+
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7.5n/an/an/an/an/an/an/an/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))
BDBM50017891
PNG
(CHEMBL3289013)
Show SMILES CCCC(CCC)C(=O)OCC1(CO)C\C(=C/c2ccc3ccn(C)c3c2)C(=O)O1
Show InChI InChI=1S/C24H31NO5/c1-4-6-19(7-5-2)22(27)29-16-24(15-26)14-20(23(28)30-24)12-17-8-9-18-10-11-25(3)21(18)13-17/h8-13,19,26H,4-7,14-16H2,1-3H3/b20-12+
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8.10n/an/an/an/an/an/an/an/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))
BDBM50017890
PNG
(CHEMBL3289012)
Show SMILES CCCC(CCC)C(=O)OCC1(CO)C\C(=C/c2ccc3n(C)ccc3c2)C(=O)O1
Show InChI InChI=1S/C24H31NO5/c1-4-6-18(7-5-2)22(27)29-16-24(15-26)14-20(23(28)30-24)13-17-8-9-21-19(12-17)10-11-25(21)3/h8-13,18,26H,4-7,14-16H2,1-3H3/b20-13+
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8.30n/an/an/an/an/an/an/an/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))
BDBM50017892
PNG
(CHEMBL3289014)
Show SMILES CCCC(CCC)C(=O)OCC1(CO)C\C(=C/c2cccc3ccn(C)c23)C(=O)O1
Show InChI InChI=1S/C24H31NO5/c1-4-7-18(8-5-2)22(27)29-16-24(15-26)14-20(23(28)30-24)13-19-10-6-9-17-11-12-25(3)21(17)19/h6,9-13,18,26H,4-5,7-8,14-16H2,1-3H3/b20-13+
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12n/an/an/an/an/an/an/an/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))
BDBM50017892
PNG
(CHEMBL3289014)
Show SMILES CCCC(CCC)C(=O)OCC1(CO)C\C(=C/c2cccc3ccn(C)c23)C(=O)O1
Show InChI InChI=1S/C24H31NO5/c1-4-7-18(8-5-2)22(27)29-16-24(15-26)14-20(23(28)30-24)13-19-10-6-9-17-11-12-25(3)21(17)19/h6,9-13,18,26H,4-5,7-8,14-16H2,1-3H3/b20-13+
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13n/an/an/an/an/an/an/an/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 alpha type


(Homo sapiens (Human))
BDBM50244451
PNG
((E)-(2-(hydroxymethyl)-4-((1-methyl-1H-indol-3-yl)...)
Show SMILES CC(C)CC(CC(C)C)C(=O)OCC1(CO)C\C(=C/c2cn(C)c3ccccc23)C(=O)O1
Show InChI InChI=1S/C26H35NO5/c1-17(2)10-19(11-18(3)4)24(29)31-16-26(15-28)13-20(25(30)32-26)12-21-14-27(5)23-9-7-6-8-22(21)23/h6-9,12,14,17-19,28H,10-11,13,15-16H2,1-5H3/b20-12+
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15n/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, epsilon


(Homo sapiens (Human))
BDBM50017889
PNG
(CHEMBL3289011)
Show SMILES CCCC(CCC)C(=O)OCC1(CO)C\C(=C/c2cccc3n(C)ccc23)C(=O)O1
Show InChI InChI=1S/C24H31NO5/c1-4-7-17(8-5-2)22(27)29-16-24(15-26)14-19(23(28)30-24)13-18-9-6-10-21-20(18)11-12-25(21)3/h6,9-13,17,26H,4-5,7-8,14-16H2,1-3H3/b19-13+
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15n/an/an/an/an/an/an/an/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))
BDBM50017889
PNG
(CHEMBL3289011)
Show SMILES CCCC(CCC)C(=O)OCC1(CO)C\C(=C/c2cccc3n(C)ccc23)C(=O)O1
Show InChI InChI=1S/C24H31NO5/c1-4-7-17(8-5-2)22(27)29-16-24(15-26)14-19(23(28)30-24)13-18-9-6-10-21-20(18)11-12-25(21)3/h6,9-13,17,26H,4-5,7-8,14-16H2,1-3H3/b19-13+
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18n/an/an/an/an/an/an/an/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 alpha type


(Homo sapiens (Human))
BDBM50244974
PNG
((E)-(2-(hydroxymethyl)-4-((1-methyl-1H-indol-3-yl)...)
Show SMILES CN(C)c1ccc(cc1)C(=O)OCC1(CO)C\C(=C/c2cn(C)c3ccccc23)C(=O)O1
Show InChI InChI=1S/C25H26N2O5/c1-26(2)20-10-8-17(9-11-20)23(29)31-16-25(15-28)13-18(24(30)32-25)12-19-14-27(3)22-7-5-4-6-21(19)22/h4-12,14,28H,13,15-16H2,1-3H3/b18-12+
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174n/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))
BDBM50244481
PNG
((E)-(2-(hydroxymethyl)-4-((1-methyl-1H-indol-3-yl)...)
Show SMILES COc1ccc(cc1)C(=O)OCC1(CO)C\C(=C/c2cn(C)c3ccccc23)C(=O)O1
Show InChI InChI=1S/C24H23NO6/c1-25-13-18(20-5-3-4-6-21(20)25)11-17-12-24(14-26,31-23(17)28)15-30-22(27)16-7-9-19(29-2)10-8-16/h3-11,13,26H,12,14-15H2,1-2H3/b17-11+
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212n/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