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Compile Data Set for Download or QSAR

Found 140 hits Enz. Inhib. hit(s) with all data for entry = 50001473   
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))		BDBM50280750
PNG
(CHEMBL4160361)
Show SMILES CC(C)(C)C(=O)OCC1(CO)C\C(=C/c2ccc(Cl)cc2)C(=O)O1
Show InChI InChI=1S/C18H21ClO5/c1-17(2,3)16(22)23-11-18(10-20)9-13(15(21)24-18)8-12-4-6-14(19)7-5-12/h4-8,20H,9-11H2,1-3H3/b13-8+
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 0.530n/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
Ras guanyl-releasing protein 3


(Homo sapiens (Human))		BDBM50244449
PNG
((E)-(2-(hydroxymethyl)-4-((1-methyl-1H-indol-3-yl)...)
Show SMILES CCCC(CCC)C(=O)OCC1(CO)C\C(=C/c2cn(C)c3ccccc23)C(=O)O1
Show InChI InChI=1S/C24H31NO5/c1-4-8-17(9-5-2)22(27)29-16-24(15-26)13-18(23(28)30-24)12-19-14-25(3)21-11-7-6-10-20(19)21/h6-7,10-12,14,17,26H,4-5,8-9,13,15-16H2,1-3H3/b18-12+
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 0.840n/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
Ras guanyl-releasing protein 3


(Homo sapiens (Human))		BDBM50280765
PNG
(CHEMBL4160647)
Show SMILES Cn1cc(\C=C2/CC(CO)(COC(=O)C(C)(C)C)OC2=O)c2cc(Cl)ccc12
Show InChI InChI=1S/C21H24ClNO5/c1-20(2,3)19(26)27-12-21(11-24)9-13(18(25)28-21)7-14-10-23(4)17-6-5-15(22)8-16(14)17/h5-8,10,24H,9,11-12H2,1-4H3/b13-7+
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 1n/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
Ras guanyl-releasing protein 3


(Homo sapiens (Human))		BDBM50280768
PNG
(CHEMBL4163130)
Show SMILES COc1ccc(\C=C2/CC(CO)(COC(=O)C(C)(C)C)OC2=O)cc1
Show InChI InChI=1S/C19H24O6/c1-18(2,3)17(22)24-12-19(11-20)10-14(16(21)25-19)9-13-5-7-15(23-4)8-6-13/h5-9,20H,10-12H2,1-4H3/b14-9+
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 1.10n/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
Ras guanyl-releasing protein 3


(Homo sapiens (Human))		BDBM50280759
PNG
(CHEMBL4162516)
Show SMILES CN(C)c1ccc(\C=C2/CC(CO)(COC(=O)C(C)(C)C)OC2=O)cc1
Show InChI InChI=1S/C20H27NO5/c1-19(2,3)18(24)25-13-20(12-22)11-15(17(23)26-20)10-14-6-8-16(9-7-14)21(4)5/h6-10,22H,11-13H2,1-5H3/b15-10+
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 1.10n/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
Ras guanyl-releasing protein 3


(Homo sapiens (Human))		BDBM50280751
PNG
(CHEMBL4174397)
Show SMILES COc1ccc(\C=C2/CC(CO)(COC(=O)c3ccc(Cl)cc3)OC2=O)cc1
Show InChI InChI=1S/C21H19ClO6/c1-26-18-8-2-14(3-9-18)10-16-11-21(12-23,28-20(16)25)13-27-19(24)15-4-6-17(22)7-5-15/h2-10,23H,11-13H2,1H3/b16-10+
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 1.5n/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
Ras guanyl-releasing protein 3


(Homo sapiens (Human))		BDBM50280773
PNG
(CHEMBL4174723)
Show SMILES CC(C)(C)C(=O)OCC1(CO)C\C(=C/c2csc3ccccc23)C(=O)O1
Show InChI InChI=1S/C20H22O5S/c1-19(2,3)18(23)24-12-20(11-21)9-13(17(22)25-20)8-14-10-26-16-7-5-4-6-15(14)16/h4-8,10,21H,9,11-12H2,1-3H3/b13-8+
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 1.70n/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
Ras guanyl-releasing protein 3


(Homo sapiens (Human))		BDBM50280756
PNG
(CHEMBL4167589)
Show SMILES CN(C)c1ccc(\C=C2/CC(CO)(COC(=O)c3ccc(Cl)cc3)OC2=O)cc1
Show InChI InChI=1S/C22H22ClNO5/c1-24(2)19-9-3-15(4-10-19)11-17-12-22(13-25,29-21(17)27)14-28-20(26)16-5-7-18(23)8-6-16/h3-11,25H,12-14H2,1-2H3/b17-11+
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 1.80n/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
Ras guanyl-releasing protein 3


(Homo sapiens (Human))		BDBM50280749
PNG
(CHEMBL4169454)
Show SMILES Cn1cc(\C=C2/CC(CO)(COC(=O)C(C)(C)C)OC2=O)c2ccccc12
Show InChI InChI=1S/C21H25NO5/c1-20(2,3)19(25)26-13-21(12-23)10-14(18(24)27-21)9-15-11-22(4)17-8-6-5-7-16(15)17/h5-9,11,23H,10,12-13H2,1-4H3/b14-9+
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 1.80n/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
Ras guanyl-releasing protein 3


(Homo sapiens (Human))		BDBM50280771
PNG
(CHEMBL4160540)
Show SMILES CCCCn1cc(\C=C2/CC(CO)(COC(=O)C(C)(C)C)OC2=O)c2ccccc12
Show InChI InChI=1S/C24H31NO5/c1-5-6-11-25-14-18(19-9-7-8-10-20(19)25)12-17-13-24(15-26,30-21(17)27)16-29-22(28)23(2,3)4/h7-10,12,14,26H,5-6,11,13,15-16H2,1-4H3/b17-12+
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 1.90n/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
Ras guanyl-releasing protein 3


(Homo sapiens (Human))		BDBM50280752
PNG
(CHEMBL4161221)
Show SMILES Cn1cc(\C=C2/CC(CO)(COC(=O)C3CCC(CC3)C(C)(C)C)OC2=O)c2ccccc12 |(33.76,-11.61,;33.34,-10.13,;34.29,-8.91,;33.42,-7.64,;34.21,-6.31,;33.45,-4.98,;31.91,-4.98,;31.43,-3.51,;30.09,-4.27,;30.08,-5.81,;30.1,-2.73,;28.76,-3.49,;27.43,-2.71,;27.44,-1.17,;26.09,-3.48,;24.75,-2.69,;23.41,-3.45,;23.4,-5,;24.73,-5.78,;26.08,-5.02,;22.06,-5.75,;20.74,-4.98,;22.05,-7.29,;20.73,-6.51,;32.68,-2.6,;33.93,-3.51,;35.39,-3.04,;31.95,-8.07,;30.66,-7.25,;29.3,-7.97,;29.25,-9.51,;30.54,-10.31,;31.89,-9.6,)|
Show InChI InChI=1S/C27H35NO5/c1-26(2,3)21-11-9-18(10-12-21)24(30)32-17-27(16-29)14-19(25(31)33-27)13-20-15-28(4)23-8-6-5-7-22(20)23/h5-8,13,15,18,21,29H,9-12,14,16-17H2,1-4H3/b19-13+
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 2.20n/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
Ras guanyl-releasing protein 3


(Homo sapiens (Human))		BDBM50280757
PNG
(CHEMBL4175934)
Show SMILES COc1ccc(cc1)C(=O)OCC1(CO)C\C(=C/c2ccc(Cl)cc2)C(=O)O1
Show InChI InChI=1S/C21H19ClO6/c1-26-18-8-4-15(5-9-18)19(24)27-13-21(12-23)11-16(20(25)28-21)10-14-2-6-17(22)7-3-14/h2-10,23H,11-13H2,1H3/b16-10+
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 2.30n/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))		BDBM50280750
PNG
(CHEMBL4160361)
Show SMILES CC(C)(C)C(=O)OCC1(CO)C\C(=C/c2ccc(Cl)cc2)C(=O)O1
Show InChI InChI=1S/C18H21ClO5/c1-17(2,3)16(22)23-11-18(10-20)9-13(15(21)24-18)8-12-4-6-14(19)7-5-12/h4-8,20H,9-11H2,1-3H3/b13-8+
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MMDB

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 2.60n/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
Ras guanyl-releasing protein 3


(Homo sapiens (Human))		BDBM50280758
PNG
(CHEMBL4172461)
Show SMILES OCC1(COC(=O)c2ccc(Cl)cc2)C\C(=C/c2ccc(Cl)cc2)C(=O)O1
Show InChI InChI=1S/C20H16Cl2O5/c21-16-5-1-13(2-6-16)9-15-10-20(11-23,27-19(15)25)12-26-18(24)14-3-7-17(22)8-4-14/h1-9,23H,10-12H2/b15-9+
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 2.70n/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
Ras guanyl-releasing protein 3


(Homo sapiens (Human))		BDBM50280754
PNG
(CHEMBL4175128)
Show SMILES CN(C)c1ccc(cc1)C(=O)OCC1(CO)C\C(=C/c2ccc(Cl)cc2)C(=O)O1
Show InChI InChI=1S/C22H22ClNO5/c1-24(2)19-9-5-16(6-10-19)20(26)28-14-22(13-25)12-17(21(27)29-22)11-15-3-7-18(23)8-4-15/h3-11,25H,12-14H2,1-2H3/b17-11+
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 2.70n/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
Ras guanyl-releasing protein 3


(Homo sapiens (Human))		BDBM50280772
PNG
(CHEMBL4165117)
Show SMILES CC(C)(C)C(=O)OCC1(CO)C\C(=C/c2coc3ccccc23)C(=O)O1
Show InChI InChI=1S/C20H22O6/c1-19(2,3)18(23)25-12-20(11-21)9-13(17(22)26-20)8-14-10-24-16-7-5-4-6-15(14)16/h4-8,10,21H,9,11-12H2,1-3H3/b13-8+
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 2.80n/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
Ras guanyl-releasing protein 3


(Homo sapiens (Human))		BDBM50280745
PNG
(CHEMBL4163809)
Show SMILES Cn1cc(\C=C2/CC(CO)(COC(=O)C3CCCCC3)OC2=O)c2ccccc12
Show InChI InChI=1S/C23H27NO5/c1-24-13-18(19-9-5-6-10-20(19)24)11-17-12-23(14-25,29-22(17)27)15-28-21(26)16-7-3-2-4-8-16/h5-6,9-11,13,16,25H,2-4,7-8,12,14-15H2,1H3/b17-11+
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 2.90n/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
Ras guanyl-releasing protein 3


(Homo sapiens (Human))		BDBM50280753
PNG
(CHEMBL4167900)
Show SMILES CC(C)Cn1cc(\C=C2/CC(CO)(COC(=O)C(C)(C)C)OC2=O)c2ccccc12
Show InChI InChI=1S/C24H31NO5/c1-16(2)12-25-13-18(19-8-6-7-9-20(19)25)10-17-11-24(14-26,30-21(17)27)15-29-22(28)23(3,4)5/h6-10,13,16,26H,11-12,14-15H2,1-5H3/b17-10+
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 3n/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
Ras guanyl-releasing protein 3


(Homo sapiens (Human))		BDBM50280763
PNG
(CHEMBL4175761)
Show SMILES CC(C)(C)C(=O)OCC1(CO)C\C(=C/c2cn(CC3CC3)c3ccccc23)C(=O)O1
Show InChI InChI=1S/C24H29NO5/c1-23(2,3)22(28)29-15-24(14-26)11-17(21(27)30-24)10-18-13-25(12-16-8-9-16)20-7-5-4-6-19(18)20/h4-7,10,13,16,26H,8-9,11-12,14-15H2,1-3H3/b17-10+
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 3.60n/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
Ras guanyl-releasing protein 3


(Homo sapiens (Human))		BDBM50244856
PNG
(CHEMBL461754 | rac-(E)-{2-(Hydroxymethyl)-4-[(4-me...)
Show SMILES COc1ccc(\C=C2/CC(CO)(COC(=O)c3ccc(OC)cc3)OC2=O)cc1
Show InChI InChI=1S/C22H22O7/c1-26-18-7-3-15(4-8-18)11-17-12-22(13-23,29-21(17)25)14-28-20(24)16-5-9-19(27-2)10-6-16/h3-11,23H,12-14H2,1-2H3/b17-11+
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 4.20n/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
Ras guanyl-releasing protein 3


(Homo sapiens (Human))		BDBM50280746
PNG
(CHEMBL4161062)
Show SMILES Cn1cc(\C=C2\CC(CO)(COC(=O)C(C)(C)C)OC2=O)c2cc(Cl)ccc12
Show InChI InChI=1S/C21H24ClNO5/c1-20(2,3)19(26)27-12-21(11-24)9-13(18(25)28-21)7-14-10-23(4)17-6-5-15(22)8-16(14)17/h5-8,10,24H,9,11-12H2,1-4H3/b13-7-
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 4.30n/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
Ras guanyl-releasing protein 3


(Homo sapiens (Human))		BDBM50280755
PNG
(CHEMBL4175333)
Show SMILES CC(C)(C)C(=O)OCC1(CO)C\C(=C\c2csc3ccccc23)C(=O)O1
Show InChI InChI=1S/C20H22O5S/c1-19(2,3)18(23)24-12-20(11-21)9-13(17(22)25-20)8-14-10-26-16-7-5-4-6-15(14)16/h4-8,10,21H,9,11-12H2,1-3H3/b13-8-
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 4.30n/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
Ras guanyl-releasing protein 3


(Homo sapiens (Human))		BDBM50280764
PNG
(CHEMBL4171253)
Show SMILES COc1ccc2n(C)cc(\C=C3/CC(CO)(COC(=O)C(C)(C)C)OC3=O)c2c1
Show InChI InChI=1S/C22H27NO6/c1-21(2,3)20(26)28-13-22(12-24)10-14(19(25)29-22)8-15-11-23(4)18-7-6-16(27-5)9-17(15)18/h6-9,11,24H,10,12-13H2,1-5H3/b14-8+
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 4.80n/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
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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 5.10n/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
Ras guanyl-releasing protein 3


(Homo sapiens (Human))		BDBM50280769
PNG
(CHEMBL4167264)
Show SMILES CCCCCCC(=O)OCC1(CO)C\C(=C/c2cn(C)c3ccccc23)C(=O)O1
Show InChI InChI=1S/C23H29NO5/c1-3-4-5-6-11-21(26)28-16-23(15-25)13-17(22(27)29-23)12-18-14-24(2)20-10-8-7-9-19(18)20/h7-10,12,14,25H,3-6,11,13,15-16H2,1-2H3/b17-12+
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 5.30n/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))		BDBM50280756
PNG
(CHEMBL4167589)
Show SMILES CN(C)c1ccc(\C=C2/CC(CO)(COC(=O)c3ccc(Cl)cc3)OC2=O)cc1
Show InChI InChI=1S/C22H22ClNO5/c1-24(2)19-9-3-15(4-10-19)11-17-12-22(13-25,29-21(17)27)14-28-20(26)16-5-7-18(23)8-6-16/h3-11,25H,12-14H2,1-2H3/b17-11+
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 6.40n/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 epsilon type


(Homo sapiens (Human))		BDBM50280758
PNG
(CHEMBL4172461)
Show SMILES OCC1(COC(=O)c2ccc(Cl)cc2)C\C(=C/c2ccc(Cl)cc2)C(=O)O1
Show InChI InChI=1S/C20H16Cl2O5/c21-16-5-1-13(2-6-16)9-15-10-20(11-23,27-19(15)25)12-26-18(24)14-3-7-17(22)8-4-14/h1-9,23H,10-12H2/b15-9+
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 6.5n/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 epsilon type


(Homo sapiens (Human))		BDBM50280751
PNG
(CHEMBL4174397)
Show SMILES COc1ccc(\C=C2/CC(CO)(COC(=O)c3ccc(Cl)cc3)OC2=O)cc1
Show InChI InChI=1S/C21H19ClO6/c1-26-18-8-2-14(3-9-18)10-16-11-21(12-23,28-20(16)25)13-27-19(24)15-4-6-17(22)7-5-15/h2-10,23H,11-13H2,1H3/b16-10+
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 6.80n/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
Ras guanyl-releasing protein 3


(Homo sapiens (Human))		BDBM50244798
PNG
(CHEMBL461374 | rac-(E)-{2-(Hydroxymethyl)-4-[(4-me...)
Show SMILES COc1ccc(\C=C2/CC(CO)(COC(=O)c3ccc(cc3)N(C)C)OC2=O)cc1
Show InChI InChI=1S/C23H25NO6/c1-24(2)19-8-6-17(7-9-19)21(26)29-15-23(14-25)13-18(22(27)30-23)12-16-4-10-20(28-3)11-5-16/h4-12,25H,13-15H2,1-3H3/b18-12+
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 7n/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))		BDBM50280757
PNG
(CHEMBL4175934)
Show SMILES COc1ccc(cc1)C(=O)OCC1(CO)C\C(=C/c2ccc(Cl)cc2)C(=O)O1
Show InChI InChI=1S/C21H19ClO6/c1-26-18-8-4-15(5-9-18)19(24)27-13-21(12-23)11-16(20(25)28-21)10-14-2-6-17(22)7-3-14/h2-10,23H,11-13H2,1H3/b16-10+
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 7.10n/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
Ras guanyl-releasing protein 3


(Homo sapiens (Human))		BDBM50280767
PNG
(CHEMBL4167457)
Show SMILES Cn1nc(\C=C2/CC(CO)(COC(=O)C(C)(C)C)OC2=O)c2ccccc12
Show InChI InChI=1S/C20H24N2O5/c1-19(2,3)18(25)26-12-20(11-23)10-13(17(24)27-20)9-15-14-7-5-6-8-16(14)22(4)21-15/h5-9,23H,10-12H2,1-4H3/b13-9+
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 7.20n/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
Ras guanyl-releasing protein 3


(Homo sapiens (Human))		BDBM50244644
PNG
(CHEMBL508870 | rac-(E)-(4-{[4-(Dimethylamino)pheny...)
Show SMILES COc1ccc(cc1)C(=O)OCC1(CO)C\C(=C/c2ccc(cc2)N(C)C)C(=O)O1
Show InChI InChI=1S/C23H25NO6/c1-24(2)19-8-4-16(5-9-19)12-18-13-23(14-25,30-22(18)27)15-29-21(26)17-6-10-20(28-3)11-7-17/h4-12,25H,13-15H2,1-3H3/b18-12+
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 7.5n/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))		BDBM50280759
PNG
(CHEMBL4162516)
Show SMILES CN(C)c1ccc(\C=C2/CC(CO)(COC(=O)C(C)(C)C)OC2=O)cc1
Show InChI InChI=1S/C20H27NO5/c1-19(2,3)18(24)25-13-20(12-22)11-15(17(23)26-20)10-14-6-8-16(9-7-14)21(4)5/h6-10,22H,11-13H2,1-5H3/b15-10+
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 7.90n/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 epsilon type


(Homo sapiens (Human))		BDBM50280773
PNG
(CHEMBL4174723)
Show SMILES CC(C)(C)C(=O)OCC1(CO)C\C(=C/c2csc3ccccc23)C(=O)O1
Show InChI InChI=1S/C20H22O5S/c1-19(2,3)18(23)24-12-20(11-21)9-13(17(22)25-20)8-14-10-26-16-7-5-4-6-15(14)16/h4-8,10,21H,9,11-12H2,1-3H3/b13-8+
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 8.20n/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 epsilon type


(Homo sapiens (Human))		BDBM50280754
PNG
(CHEMBL4175128)
Show SMILES CN(C)c1ccc(cc1)C(=O)OCC1(CO)C\C(=C/c2ccc(Cl)cc2)C(=O)O1
Show InChI InChI=1S/C22H22ClNO5/c1-24(2)19-9-5-16(6-10-19)20(26)28-14-22(13-25)12-17(21(27)29-22)11-15-3-7-18(23)8-4-15/h3-11,25H,12-14H2,1-2H3/b17-11+
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 9.5n/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 epsilon type


(Homo sapiens (Human))		BDBM50280768
PNG
(CHEMBL4163130)
Show SMILES COc1ccc(\C=C2/CC(CO)(COC(=O)C(C)(C)C)OC2=O)cc1
Show InChI InChI=1S/C19H24O6/c1-18(2,3)17(22)24-12-19(11-20)10-14(16(21)25-19)9-13-5-7-15(23-4)8-6-13/h5-9,20H,10-12H2,1-4H3/b14-9+
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 10n/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
Ras guanyl-releasing protein 3


(Homo sapiens (Human))		BDBM50280760
PNG
(CHEMBL4168968)
Show SMILES Cn1cc(\C=C2/CC(CO)(COC(=O)c3ccc(Cl)cc3)OC2=O)c2ccccc12
Show InChI InChI=1S/C23H20ClNO5/c1-25-12-17(19-4-2-3-5-20(19)25)10-16-11-23(13-26,30-22(16)28)14-29-21(27)15-6-8-18(24)9-7-15/h2-10,12,26H,11,13-14H2,1H3/b16-10+
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 11n/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
Ras guanyl-releasing protein 3


(Homo sapiens (Human))		BDBM50280766
PNG
(CHEMBL4164402)
Show SMILES CC(C)(C)C(=O)OCC1(CO)C\C(=C\c2coc3ccccc23)C(=O)O1
Show InChI InChI=1S/C20H22O6/c1-19(2,3)18(23)25-12-20(11-21)9-13(17(22)26-20)8-14-10-24-16-7-5-4-6-15(14)16/h4-8,10,21H,9,11-12H2,1-3H3/b13-8-
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 12n/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))		BDBM50280755
PNG
(CHEMBL4175333)
Show SMILES CC(C)(C)C(=O)OCC1(CO)C\C(=C\c2csc3ccccc23)C(=O)O1
Show InChI InChI=1S/C20H22O5S/c1-19(2,3)18(23)24-12-20(11-21)9-13(17(22)25-20)8-14-10-26-16-7-5-4-6-15(14)16/h4-8,10,21H,9,11-12H2,1-3H3/b13-8-
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 13n/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 epsilon type


(Homo sapiens (Human))		BDBM50244856
PNG
(CHEMBL461754 | rac-(E)-{2-(Hydroxymethyl)-4-[(4-me...)
Show SMILES COc1ccc(\C=C2/CC(CO)(COC(=O)c3ccc(OC)cc3)OC2=O)cc1
Show InChI InChI=1S/C22H22O7/c1-26-18-7-3-15(4-8-18)11-17-12-22(13-23,29-21(17)25)14-28-20(24)16-5-9-19(27-2)10-6-16/h3-11,23H,12-14H2,1-2H3/b17-11+
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 13n/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))		BDBM50280750
PNG
(CHEMBL4160361)
Show SMILES CC(C)(C)C(=O)OCC1(CO)C\C(=C/c2ccc(Cl)cc2)C(=O)O1
Show InChI InChI=1S/C18H21ClO5/c1-17(2,3)16(22)23-11-18(10-20)9-13(15(21)24-18)8-12-4-6-14(19)7-5-12/h4-8,20H,9-11H2,1-3H3/b13-8+
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 14n/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
Ras guanyl-releasing protein 3


(Homo sapiens (Human))		BDBM50280770
PNG
(CHEMBL4170226)
Show SMILES Cn1cc(\C=C\C(=O)OCC2(CO)C\C(=C/c3cn(C)c4ccccc34)C(=O)O2)c2ccccc12
Show InChI InChI=1S/C28H26N2O5/c1-29-15-19(22-7-3-5-9-24(22)29)11-12-26(32)34-18-28(17-31)14-20(27(33)35-28)13-21-16-30(2)25-10-6-4-8-23(21)25/h3-13,15-16,31H,14,17-18H2,1-2H3/b12-11+,20-13+
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 16n/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 alpha type


(Homo sapiens (Human))		BDBM50280753
PNG
(CHEMBL4167900)
Show SMILES CC(C)Cn1cc(\C=C2/CC(CO)(COC(=O)C(C)(C)C)OC2=O)c2ccccc12
Show InChI InChI=1S/C24H31NO5/c1-16(2)12-25-13-18(19-8-6-7-9-20(19)25)10-17-11-24(14-26,30-21(17)27)15-29-22(28)23(3,4)5/h6-10,13,16,26H,11-12,14-15H2,1-5H3/b17-10+
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 16n/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
Protein kinase C epsilon type


(Homo sapiens (Human))		BDBM50244644
PNG
(CHEMBL508870 | rac-(E)-(4-{[4-(Dimethylamino)pheny...)
Show SMILES COc1ccc(cc1)C(=O)OCC1(CO)C\C(=C/c2ccc(cc2)N(C)C)C(=O)O1
Show InChI InChI=1S/C23H25NO6/c1-24(2)19-8-4-16(5-9-19)12-18-13-23(14-25,30-22(18)27)15-29-21(26)17-6-10-20(28-3)11-7-17/h4-12,25H,13-15H2,1-3H3/b18-12+
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 18n/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
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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 18n/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))		BDBM50244798
PNG
(CHEMBL461374 | rac-(E)-{2-(Hydroxymethyl)-4-[(4-me...)
Show SMILES COc1ccc(\C=C2/CC(CO)(COC(=O)c3ccc(cc3)N(C)C)OC2=O)cc1
Show InChI InChI=1S/C23H25NO6/c1-24(2)19-8-6-17(7-9-19)21(26)29-15-23(14-25)13-18(22(27)30-23)12-16-4-10-20(28-3)11-5-16/h4-12,25H,13-15H2,1-3H3/b18-12+
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 18n/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 epsilon type


(Homo sapiens (Human))		BDBM50280771
PNG
(CHEMBL4160540)
Show SMILES CCCCn1cc(\C=C2/CC(CO)(COC(=O)C(C)(C)C)OC2=O)c2ccccc12
Show InChI InChI=1S/C24H31NO5/c1-5-6-11-25-14-18(19-9-7-8-10-20(19)25)12-17-13-24(15-26,30-21(17)27)16-29-22(28)23(2,3)4/h7-10,12,14,26H,5-6,11,13,15-16H2,1-4H3/b17-12+
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 19n/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 epsilon type


(Homo sapiens (Human))		BDBM50280753
PNG
(CHEMBL4167900)
Show SMILES CC(C)Cn1cc(\C=C2/CC(CO)(COC(=O)C(C)(C)C)OC2=O)c2ccccc12
Show InChI InChI=1S/C24H31NO5/c1-16(2)12-25-13-18(19-8-6-7-9-20(19)25)10-17-11-24(14-26,30-21(17)27)15-29-22(28)23(3,4)5/h6-10,13,16,26H,11-12,14-15H2,1-5H3/b17-10+
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 19n/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
Ras guanyl-releasing protein 3


(Homo sapiens (Human))		BDBM50280743
PNG
(CHEMBL4160009)
Show SMILES Cn1cc(\C=C2/CC(CO)(COC(=O)\C=C\c3ccccc3)OC2=O)c2ccccc12
Show InChI InChI=1S/C25H23NO5/c1-26-15-20(21-9-5-6-10-22(21)26)13-19-14-25(16-27,31-24(19)29)17-30-23(28)12-11-18-7-3-2-4-8-18/h2-13,15,27H,14,16-17H2,1H3/b12-11+,19-13+
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 25n/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 alpha type


(Homo sapiens (Human))		BDBM50280756
PNG
(CHEMBL4167589)
Show SMILES CN(C)c1ccc(\C=C2/CC(CO)(COC(=O)c3ccc(Cl)cc3)OC2=O)cc1
Show InChI InChI=1S/C22H22ClNO5/c1-24(2)19-9-3-15(4-10-19)11-17-12-22(13-25,29-21(17)27)14-28-20(26)16-5-7-18(23)8-6-16/h3-11,25H,12-14H2,1-2H3/b17-11+
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 25n/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
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