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Compile Data Set for Download or QSAR

Found 54 hits Enz. Inhib. hit(s) with Target = 'RAS guanyl releasing protein 3' AND taxid = 9606   
Target
(Institution)
LigandTarget
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)
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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0.180n/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


Citation and Details
More data for this
Ligand-Target Pair
RAS guanyl releasing protein 3


(Homo sapiens)
BDBM50244450
PNG
((E)-(2-(hydroxymethyl)-5-oxo-4-(pyridin-2-ylmethyl...)
Show SMILES CC(C)CC(CC(C)C)C(=O)OCC1(CO)C\C(=C/c2ccccn2)C(=O)O1
Show InChI InChI=1S/C22H31NO5/c1-15(2)9-17(10-16(3)4)20(25)27-14-22(13-24)12-18(21(26)28-22)11-19-7-5-6-8-23-19/h5-8,11,15-17,24H,9-10,12-14H2,1-4H3/b18-11+
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0.200n/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


Citation and Details
More data for this
Ligand-Target Pair
RAS guanyl releasing protein 3


(Homo sapiens)
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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0.330n/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...


Citation and Details
More data for this
Ligand-Target Pair
RAS guanyl releasing protein 3


(Homo sapiens)
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...


Citation and Details
More data for this
Ligand-Target Pair
RAS guanyl releasing protein 3


(Homo sapiens)
BDBM50245022
PNG
((E)-(2-(hydroxymethyl)-5-oxo-4-(quinolin-3-ylmethy...)
Show SMILES CCCC(CCC)C(=O)OCC1(CO)C\C(=C/c2cnc3ccccc3c2)C(=O)O1
Show InChI InChI=1S/C24H29NO5/c1-3-7-18(8-4-2)22(27)29-16-24(15-26)13-20(23(28)30-24)12-17-11-19-9-5-6-10-21(19)25-14-17/h5-6,9-12,14,18,26H,3-4,7-8,13,15-16H2,1-2H3/b20-12+
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0.520n/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


Citation and Details
More data for this
Ligand-Target Pair
RAS guanyl releasing protein 3


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
RAS guanyl releasing protein 3


(Homo sapiens)
BDBM50244979
PNG
((E)-(2-(hydroxymethyl)-5-oxo-4-(pyridin-2-ylmethyl...)
Show SMILES CCCC(CCC)C(=O)OCC1(CO)C\C(=C/c2ccccn2)C(=O)O1
Show InChI InChI=1S/C20H27NO5/c1-3-7-15(8-4-2)18(23)25-14-20(13-22)12-16(19(24)26-20)11-17-9-5-6-10-21-17/h5-6,9-11,15,22H,3-4,7-8,12-14H2,1-2H3/b16-11+
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0.720n/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


Citation and Details
More data for this
Ligand-Target Pair
RAS guanyl releasing protein 3


(Homo sapiens)
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...


Citation and Details
More data for this
Ligand-Target Pair
RAS guanyl releasing protein 3


(Homo sapiens)
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...


Citation and Details
More data for this
Ligand-Target Pair
RAS guanyl releasing protein 3


(Homo sapiens)
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...


Citation and Details
More data for this
Ligand-Target Pair
RAS guanyl releasing protein 3


(Homo sapiens)
BDBM50244981
PNG
((E)-(2-(hydroxymethyl)-5-oxo-4-(pyridin-3-ylmethyl...)
Show SMILES CCCC(CCC)C(=O)OCC1(CO)C\C(=C/c2cccnc2)C(=O)O1
Show InChI InChI=1S/C20H27NO5/c1-3-6-16(7-4-2)18(23)25-14-20(13-22)11-17(19(24)26-20)10-15-8-5-9-21-12-15/h5,8-10,12,16,22H,3-4,6-7,11,13-14H2,1-2H3/b17-10+
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1.60n/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


Citation and Details
More data for this
Ligand-Target Pair
RAS guanyl releasing protein 3


(Homo sapiens)
BDBM50245020
PNG
((E)-(2-(hydroxymethyl)-5-oxo-4-(quinolin-2-ylmethy...)
Show SMILES CCCC(CCC)C(=O)OCC1(CO)C\C(=C/c2ccc3ccccc3n2)C(=O)O1
Show InChI InChI=1S/C24H29NO5/c1-3-7-18(8-4-2)22(27)29-16-24(15-26)14-19(23(28)30-24)13-20-12-11-17-9-5-6-10-21(17)25-20/h5-6,9-13,18,26H,3-4,7-8,14-16H2,1-2H3/b19-13+
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1.70n/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


Citation and Details
More data for this
Ligand-Target Pair
RAS guanyl releasing protein 3


(Homo sapiens)
BDBM50244866
PNG
(CHEMBL511820 | rac-(E)-{2-(Hydroxymethyl)-4-[(4-ni...)
Show SMILES CN(C)c1ccccc1C(=O)OCC1(CO)C\C(=C/c2ccc(cc2)[N+]([O-])=O)C(=O)O1
Show InChI InChI=1S/C22H22N2O7/c1-23(2)19-6-4-3-5-18(19)21(27)30-14-22(13-25)12-16(20(26)31-22)11-15-7-9-17(10-8-15)24(28)29/h3-11,25H,12-14H2,1-2H3/b16-11+
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1.80n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Binding affinity to RasGRP3 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
RAS guanyl releasing protein 3


(Homo sapiens)
BDBM50245091
PNG
(CHEMBL519398 | rac-(E)-{2-(Hydroxymethyl)-4-[(4-ni...)
Show SMILES OCC1(COC(=O)c2ccc(cc2)[N+]([O-])=O)C\C(=C/c2ccc(cc2)[N+]([O-])=O)C(=O)O1
Show InChI InChI=1S/C20H16N2O9/c23-11-20(12-30-18(24)14-3-7-17(8-4-14)22(28)29)10-15(19(25)31-20)9-13-1-5-16(6-2-13)21(26)27/h1-9,23H,10-12H2/b15-9+
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2.22n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Binding affinity to RasGRP3 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
RAS guanyl releasing protein 3


(Homo sapiens)
BDBM50244865
PNG
(CHEMBL471153 | rac-(E)-{2-(Hydroxymethyl)-4-[(4-ni...)
Show SMILES CN(C)c1cccc(c1)C(=O)OCC1(CO)C\C(=C/c2ccc(cc2)[N+]([O-])=O)C(=O)O1
Show InChI InChI=1S/C22H22N2O7/c1-23(2)19-5-3-4-16(11-19)20(26)30-14-22(13-25)12-17(21(27)31-22)10-15-6-8-18(9-7-15)24(28)29/h3-11,25H,12-14H2,1-2H3/b17-10+
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2.30n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Binding affinity to RasGRP3 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
RAS guanyl releasing protein 3


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
RAS guanyl releasing protein 3


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
RAS guanyl releasing protein 3


(Homo sapiens)
BDBM50244482
PNG
((4-(4-nitrobenzylidene)-2-(hydroxymethyl)-5-oxo-te...)
Show SMILES CN(C)c1ccc(cc1)C(=O)OCC1(CO)C\C(=C/c2ccc(cc2)[N+]([O-])=O)C(=O)O1
Show InChI InChI=1S/C22H22N2O7/c1-23(2)18-9-5-16(6-10-18)20(26)30-14-22(13-25)12-17(21(27)31-22)11-15-3-7-19(8-4-15)24(28)29/h3-11,25H,12-14H2,1-2H3/b17-11+
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3.80n/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


Citation and Details
More data for this
Ligand-Target Pair
RAS guanyl releasing protein 3


(Homo sapiens)
BDBM50244482
PNG
((4-(4-nitrobenzylidene)-2-(hydroxymethyl)-5-oxo-te...)
Show SMILES CN(C)c1ccc(cc1)C(=O)OCC1(CO)C\C(=C/c2ccc(cc2)[N+]([O-])=O)C(=O)O1
Show InChI InChI=1S/C22H22N2O7/c1-23(2)18-9-5-16(6-10-18)20(26)30-14-22(13-25)12-17(21(27)31-22)11-15-3-7-19(8-4-15)24(28)29/h3-11,25H,12-14H2,1-2H3/b17-11+
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3.80n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Binding affinity to RasGRP3 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
RAS guanyl releasing protein 3


(Homo sapiens)
BDBM50244915
PNG
(CHEMBL472002 | rac-(E)-{2-(Hydroxymethyl)-4-[(3-ni...)
Show SMILES CN(C)c1ccccc1C(=O)OCC1(CO)C\C(=C/c2cccc(c2)[N+]([O-])=O)C(=O)O1
Show InChI InChI=1S/C22H22N2O7/c1-23(2)19-9-4-3-8-18(19)21(27)30-14-22(13-25)12-16(20(26)31-22)10-15-6-5-7-17(11-15)24(28)29/h3-11,25H,12-14H2,1-2H3/b16-10+
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3.90n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Binding affinity to RasGRP3 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
RAS guanyl releasing protein 3


(Homo sapiens)
BDBM50245021
PNG
((Z)-(2-(hydroxymethyl)-5-oxo-4-(quinolin-2-ylmethy...)
Show SMILES CCCC(CCC)C(=O)OCC1(CO)C\C(=C\c2ccc3ccccc3n2)C(=O)O1
Show InChI InChI=1S/C24H29NO5/c1-3-7-18(8-4-2)22(27)29-16-24(15-26)14-19(23(28)30-24)13-20-12-11-17-9-5-6-10-21(17)25-20/h5-6,9-13,18,26H,3-4,7-8,14-16H2,1-2H3/b19-13-
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4.60n/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


Citation and Details
More data for this
Ligand-Target Pair
RAS guanyl releasing protein 3


(Homo sapiens)
BDBM50244643
PNG
(CHEMBL452307 | rac-(E)-(4-{[4-(Dimethylamino)pheny...)
Show SMILES CN(C)c1ccc(\C=C2/CC(CO)(COC(=O)c3ccc(cc3)N(C)C)OC2=O)cc1
Show InChI InChI=1S/C24H28N2O5/c1-25(2)20-9-5-17(6-10-20)13-19-14-24(15-27,31-23(19)29)16-30-22(28)18-7-11-21(12-8-18)26(3)4/h5-13,27H,14-16H2,1-4H3/b19-13+
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4.68n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Binding affinity to RasGRP3 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
RAS guanyl releasing protein 3


(Homo sapiens)
BDBM50244914
PNG
(CHEMBL472001 | rac-(E)-{2-(Hydroxymethyl)-4-[(3-ni...)
Show SMILES CN(C)c1cccc(c1)C(=O)OCC1(CO)C\C(=C/c2cccc(c2)[N+]([O-])=O)C(=O)O1
Show InChI InChI=1S/C22H22N2O7/c1-23(2)18-7-4-6-16(11-18)20(26)30-14-22(13-25)12-17(21(27)31-22)9-15-5-3-8-19(10-15)24(28)29/h3-11,25H,12-14H2,1-2H3/b17-9+
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5.30n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Binding affinity to RasGRP3 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
RAS guanyl releasing protein 3


(Homo sapiens)
BDBM50244452
PNG
((4-(4-nitrobenzylidene)-2-(hydroxymethyl)-5-oxo-te...)
Show SMILES COc1ccc(cc1)C(=O)OCC1(CO)C\C(=C/c2ccc(cc2)[N+]([O-])=O)C(=O)O1
Show InChI InChI=1S/C21H19NO8/c1-28-18-8-4-15(5-9-18)19(24)29-13-21(12-23)11-16(20(25)30-21)10-14-2-6-17(7-3-14)22(26)27/h2-10,23H,11-13H2,1H3/b16-10+
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6.70n/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


Citation and Details
More data for this
Ligand-Target Pair
RAS guanyl releasing protein 3


(Homo sapiens)
BDBM50244867
PNG
(CHEMBL472171 | rac-(E)-{2-(Hydroxymethyl)-4-[(3-ni...)
Show SMILES CN(C)c1ccc(cc1)C(=O)OCC1(CO)C\C(=C/c2cccc(c2)[N+]([O-])=O)C(=O)O1
Show InChI InChI=1S/C22H22N2O7/c1-23(2)18-8-6-16(7-9-18)20(26)30-14-22(13-25)12-17(21(27)31-22)10-15-4-3-5-19(11-15)24(28)29/h3-11,25H,12-14H2,1-2H3/b17-10+
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8n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Binding affinity to RasGRP3 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
RAS guanyl releasing protein 3


(Homo sapiens)
BDBM50244448
PNG
((E)-(2-(hydroxymethyl)-5-oxo-4-(quinolin-2-ylmethy...)
Show SMILES COc1ccc(cc1)C(=O)OCC1(CO)C\C(=C/c2ccc3ccccc3n2)C(=O)O1
Show InChI InChI=1S/C24H21NO6/c1-29-20-10-7-17(8-11-20)22(27)30-15-24(14-26)13-18(23(28)31-24)12-19-9-6-16-4-2-3-5-21(16)25-19/h2-12,26H,13-15H2,1H3/b18-12+
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8.20n/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


Citation and Details
More data for this
Ligand-Target Pair
RAS guanyl releasing protein 3


(Homo sapiens)
BDBM50244971
PNG
(CHEMBL471317 | rac-(E)-{2-(Hydroxymethyl)-4-[(2-ni...)
Show SMILES CN(C)c1ccccc1C(=O)OCC1(CO)C\C(=C/c2ccccc2[N+]([O-])=O)C(=O)O1
Show InChI InChI=1S/C22H22N2O7/c1-23(2)19-10-6-4-8-17(19)21(27)30-14-22(13-25)12-16(20(26)31-22)11-15-7-3-5-9-18(15)24(28)29/h3-11,25H,12-14H2,1-2H3/b16-11+
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9.40n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Binding affinity to RasGRP3 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
RAS guanyl releasing protein 3


(Homo sapiens)
BDBM50244926
PNG
((E)-(2-(hydroxymethyl)-5-oxo-4-(quinolin-2-ylmethy...)
Show SMILES CN(C)c1ccc(cc1)C(=O)OCC1(CO)C\C(=C/c2ccc3ccccc3n2)C(=O)O1
Show InChI InChI=1S/C25H24N2O5/c1-27(2)21-11-8-18(9-12-21)23(29)31-16-25(15-28)14-19(24(30)32-25)13-20-10-7-17-5-3-4-6-22(17)26-20/h3-13,28H,14-16H2,1-2H3/b19-13+
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11n/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


Citation and Details
More data for this
Ligand-Target Pair
RAS guanyl releasing protein 3


(Homo sapiens)
BDBM50244983
PNG
((E)-(2-(hydroxymethyl)-5-oxo-4-(pyridin-4-ylmethyl...)
Show SMILES CCCC(CCC)C(=O)OCC1(CO)C\C(=C/c2ccncc2)C(=O)O1
Show InChI InChI=1S/C20H27NO5/c1-3-5-16(6-4-2)18(23)25-14-20(13-22)12-17(19(24)26-20)11-15-7-9-21-10-8-15/h7-11,16,22H,3-6,12-14H2,1-2H3/b17-11+
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14n/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


Citation and Details
More data for this
Ligand-Target Pair
RAS guanyl releasing protein 3


(Homo sapiens)
BDBM50244916
PNG
(CHEMBL472174 | rac-(E)-{2-(Hydroxymethyl)-4-[(2-ni...)
Show SMILES CN(C)c1ccc(cc1)C(=O)OCC1(CO)C\C(=C/c2ccccc2[N+]([O-])=O)C(=O)O1
Show InChI InChI=1S/C22H22N2O7/c1-23(2)18-9-7-15(8-10-18)20(26)30-14-22(13-25)12-17(21(27)31-22)11-16-5-3-4-6-19(16)24(28)29/h3-11,25H,12-14H2,1-2H3/b17-11+
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14.4n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Binding affinity to RasGRP3 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
RAS guanyl releasing protein 3


(Homo sapiens)
BDBM50106245
PNG
(2-{4-hydroxy-3-hydroxymethyl-2-(3-hydroxypropyl)-4...)
Show SMILES C[C@H]1CC=C(C)[C@@H](\C=C\C(\C)=C/CC[C@@]2(CO)[C@H](CCCO)\C(CC[C@]2(C)O)=C(\C)C=O)C1(C)C
Show InChI InChI=1S/C31H50O4/c1-22(12-15-27-23(2)13-14-25(4)29(27,5)6)10-8-17-31(21-34)28(11-9-19-32)26(24(3)20-33)16-18-30(31,7)35/h10,12-13,15,20,25,27-28,32,34-35H,8-9,11,14,16-19,21H2,1-7H3/b15-12+,22-10-,26-24-/t25-,27+,28+,30-,31+/m0/s1
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16n/an/an/an/an/an/an/an/a



University of Michigan Cancer Center

Curated by ChEMBL


Assay Description
Binding affinity for RasGPR3, guanine nucleotide exchange factor


J Med Chem 44: 3872-80 (2001)

More data for this
Ligand-Target Pair
RAS guanyl releasing protein 3


(Homo sapiens)
BDBM50244917
PNG
(CHEMBL513069 | rac-(E)-{2-(Hydroxymethyl)-4-[(2-ni...)
Show SMILES CN(C)c1cccc(c1)C(=O)OCC1(CO)C\C(=C/c2ccccc2[N+]([O-])=O)C(=O)O1
Show InChI InChI=1S/C22H22N2O7/c1-23(2)18-8-5-7-16(11-18)20(26)30-14-22(13-25)12-17(21(27)31-22)10-15-6-3-4-9-19(15)24(28)29/h3-11,25H,12-14H2,1-2H3/b17-10+
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16.4n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Binding affinity to RasGRP3 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
RAS guanyl releasing protein 3


(Homo sapiens)
BDBM50244479
PNG
((E)-(2-(hydroxymethyl)-5-oxo-4-(quinolin-3-ylmethy...)
Show SMILES COc1ccc(cc1)C(=O)OCC1(CO)C\C(=C/c2cnc3ccccc3c2)C(=O)O1
Show InChI InChI=1S/C24H21NO6/c1-29-20-8-6-17(7-9-20)22(27)30-15-24(14-26)12-19(23(28)31-24)11-16-10-18-4-2-3-5-21(18)25-13-16/h2-11,13,26H,12,14-15H2,1H3/b19-11+
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17n/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


Citation and Details
More data for this
Ligand-Target Pair
RAS guanyl releasing protein 3


(Homo sapiens)
BDBM50244473
PNG
((E)-(2-(hydroxymethyl)-5-oxo-4-(pyridin-2-ylmethyl...)
Show SMILES CN(C)c1ccc(cc1)C(=O)OCC1(CO)C\C(=C/c2ccccn2)C(=O)O1
Show InChI InChI=1S/C21H22N2O5/c1-23(2)18-8-6-15(7-9-18)19(25)27-14-21(13-24)12-16(20(26)28-21)11-17-5-3-4-10-22-17/h3-11,24H,12-14H2,1-2H3/b16-11+
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24n/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


Citation and Details
More data for this
Ligand-Target Pair
RAS guanyl releasing protein 3


(Homo sapiens)
BDBM50245023
PNG
((Z)-(2-(hydroxymethyl)-5-oxo-4-(quinolin-3-ylmethy...)
Show SMILES CCCC(CCC)C(=O)OCC1(CO)C\C(=C\c2cnc3ccccc3c2)C(=O)O1
Show InChI InChI=1S/C24H29NO5/c1-3-7-18(8-4-2)22(27)29-16-24(15-26)13-20(23(28)30-24)12-17-11-19-9-5-6-10-21(19)25-14-17/h5-6,9-12,14,18,26H,3-4,7-8,13,15-16H2,1-2H3/b20-12-
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32n/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


Citation and Details
More data for this
Ligand-Target Pair
RAS guanyl releasing protein 3


(Homo sapiens)
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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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


Citation and Details
More data for this
Ligand-Target Pair
RAS guanyl releasing protein 3


(Homo sapiens)
BDBM50106244
PNG
(6-[9-[1-formyl-(Z)-ethylidene]-1,6-dihydroxy-10-(3...)
Show SMILES CC(C)=CCC\C(COC(C)=O)=C\C=C\C(=C)[C@@H]1CC[C@@]2([C@@H]1O)[C@H](CCCO)\C(CC[C@]2(C)O)=C(\C)C=O
Show InChI InChI=1S/C32H48O6/c1-22(2)10-7-12-26(21-38-25(5)35)13-8-11-23(3)28-16-18-32(30(28)36)29(14-9-19-33)27(24(4)20-34)15-17-31(32,6)37/h8,10-11,13,20,28-30,33,36-37H,3,7,9,12,14-19,21H2,1-2,4-6H3/b11-8+,26-13-,27-24-/t28-,29+,30+,31-,32-/m0/s1
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42n/an/an/an/an/an/an/an/a



University of Michigan Cancer Center

Curated by ChEMBL


Assay Description
Binding affinity for RasGPR3, guanine nucleotide exchange factor


J Med Chem 44: 3872-80 (2001)

More data for this
Ligand-Target Pair
RAS guanyl releasing protein 3


(Homo sapiens)
BDBM50245019
PNG
((Z)-(2-(hydroxymethyl)-5-oxo-4-(pyridin-4-ylmethyl...)
Show SMILES CCCC(CCC)C(=O)OCC1(CO)C\C(=C\c2ccncc2)C(=O)O1
Show InChI InChI=1S/C20H27NO5/c1-3-5-16(6-4-2)18(23)25-14-20(13-22)12-17(19(24)26-20)11-15-7-9-21-10-8-15/h7-11,16,22H,3-6,12-14H2,1-2H3/b17-11-
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44n/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


Citation and Details
More data for this
Ligand-Target Pair
RAS guanyl releasing protein 3


(Homo sapiens)
BDBM50244446
PNG
((E)-(2-(hydroxymethyl)-5-oxo-4-(pyridin-4-ylmethyl...)
Show SMILES COc1ccc(cc1)C(=O)OCC1(CO)C\C(=C/c2ccncc2)C(=O)O1
Show InChI InChI=1S/C20H19NO6/c1-25-17-4-2-15(3-5-17)18(23)26-13-20(12-22)11-16(19(24)27-20)10-14-6-8-21-9-7-14/h2-10,22H,11-13H2,1H3/b16-10+
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54n/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


Citation and Details
More data for this
Ligand-Target Pair
RAS guanyl releasing protein 3


(Homo sapiens)
BDBM50244476
PNG
((E)-(2-(hydroxymethyl)-5-oxo-4-(pyridin-4-ylmethyl...)
Show SMILES CN(C)c1ccc(cc1)C(=O)OCC1(CO)C\C(=C/c2ccncc2)C(=O)O1
Show InChI InChI=1S/C21H22N2O5/c1-23(2)18-5-3-16(4-6-18)19(25)27-14-21(13-24)12-17(20(26)28-21)11-15-7-9-22-10-8-15/h3-11,24H,12-14H2,1-2H3/b17-11+
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54n/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


Citation and Details
More data for this
Ligand-Target Pair
RAS guanyl releasing protein 3


(Homo sapiens)
BDBM50244474
PNG
((E)-(2-(hydroxymethyl)-5-oxo-4-(pyridin-3-ylmethyl...)
Show SMILES CN(C)c1ccc(cc1)C(=O)OCC1(CO)C\C(=C/c2cccnc2)C(=O)O1
Show InChI InChI=1S/C21H22N2O5/c1-23(2)18-7-5-16(6-8-18)19(25)27-14-21(13-24)11-17(20(26)28-21)10-15-4-3-9-22-12-15/h3-10,12,24H,11,13-14H2,1-2H3/b17-10+
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59n/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


Citation and Details
More data for this
Ligand-Target Pair
RAS guanyl releasing protein 3


(Homo sapiens)
BDBM50244977
PNG
((E)-(2-(hydroxymethyl)-5-oxo-4-(pyridin-3-ylmethyl...)
Show SMILES COc1ccc(cc1)C(=O)OCC1(CO)C\C(=C/c2cccnc2)C(=O)O1
Show InChI InChI=1S/C20H19NO6/c1-25-17-6-4-15(5-7-17)18(23)26-13-20(12-22)10-16(19(24)27-20)9-14-3-2-8-21-11-14/h2-9,11,22H,10,12-13H2,1H3/b16-9+
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81n/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


Citation and Details
More data for this
Ligand-Target Pair
RAS guanyl releasing protein 3


(Homo sapiens)
BDBM50244980
PNG
((Z)-(2-(hydroxymethyl)-5-oxo-4-(pyridin-2-ylmethyl...)
Show SMILES CCCC(CCC)C(=O)OCC1(CO)C\C(=C\c2ccccn2)C(=O)O1
Show InChI InChI=1S/C20H27NO5/c1-3-7-15(8-4-2)18(23)25-14-20(13-22)12-16(19(24)26-20)11-17-9-5-6-10-21-17/h5-6,9-11,15,22H,3-4,7-8,12-14H2,1-2H3/b16-11-
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83n/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


Citation and Details
More data for this
Ligand-Target Pair
RAS guanyl releasing protein 3


(Homo sapiens)
BDBM50244928
PNG
((E)-(2-(hydroxymethyl)-5-oxo-4-(quinolin-3-ylmethy...)
Show SMILES CN(C)c1ccc(cc1)C(=O)OCC1(CO)C\C(=C/c2cnc3ccccc3c2)C(=O)O1
Show InChI InChI=1S/C25H24N2O5/c1-27(2)21-9-7-18(8-10-21)23(29)31-16-25(15-28)13-20(24(30)32-25)12-17-11-19-5-3-4-6-22(19)26-14-17/h3-12,14,28H,13,15-16H2,1-2H3/b20-12+
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137n/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


Citation and Details
More data for this
Ligand-Target Pair
RAS guanyl releasing protein 3


(Homo sapiens)
BDBM50244982
PNG
((Z)-(2-(hydroxymethyl)-5-oxo-4-(pyridin-3-ylmethyl...)
Show SMILES CCCC(CCC)C(=O)OCC1(CO)C\C(=C\c2cccnc2)C(=O)O1
Show InChI InChI=1S/C20H27NO5/c1-3-6-16(7-4-2)18(23)25-14-20(13-22)11-17(19(24)26-20)10-15-8-5-9-21-12-15/h5,8-10,12,16,22H,3-4,6-7,11,13-14H2,1-2H3/b17-10-
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670n/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


Citation and Details
More data for this
Ligand-Target Pair
RAS guanyl releasing protein 3


(Homo sapiens)
BDBM50244480
PNG
((Z)-(2-(hydroxymethyl)-5-oxo-4-(quinolin-3-ylmethy...)
Show SMILES COc1ccc(cc1)C(=O)OCC1(CO)C\C(=C\c2cnc3ccccc3c2)C(=O)O1
Show InChI InChI=1S/C24H21NO6/c1-29-20-8-6-17(7-9-20)22(27)30-15-24(14-26)12-19(23(28)31-24)11-16-10-18-4-2-3-5-21(18)25-13-16/h2-11,13,26H,12,14-15H2,1H3/b19-11-
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907n/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


Citation and Details
More data for this
Ligand-Target Pair
RAS guanyl releasing protein 3


(Homo sapiens)
BDBM50244478
PNG
((Z)-(2-(hydroxymethyl)-5-oxo-4-(quinolin-2-ylmethy...)
Show SMILES COc1ccc(cc1)C(=O)OCC1(CO)C\C(=C\c2ccc3ccccc3n2)C(=O)O1
Show InChI InChI=1S/C24H21NO6/c1-29-20-10-7-17(8-11-20)22(27)30-15-24(14-26)13-18(23(28)31-24)12-19-9-6-16-4-2-3-5-21(16)25-19/h2-12,26H,13-15H2,1H3/b18-12-
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1.39E+3n/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


Citation and Details
More data for this
Ligand-Target Pair
RAS guanyl releasing protein 3


(Homo sapiens)
BDBM50244929
PNG
((Z)-(2-(hydroxymethyl)-5-oxo-4-(quinolin-3-ylmethy...)
Show SMILES CN(C)c1ccc(cc1)C(=O)OCC1(CO)C\C(=C\c2cnc3ccccc3c2)C(=O)O1
Show InChI InChI=1S/C25H24N2O5/c1-27(2)21-9-7-18(8-10-21)23(29)31-16-25(15-28)13-20(24(30)32-25)12-17-11-19-5-3-4-6-22(19)26-14-17/h3-12,14,28H,13,15-16H2,1-2H3/b20-12-
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1.41E+3n/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


Citation and Details
More data for this
Ligand-Target Pair
RAS guanyl releasing protein 3


(Homo sapiens)
BDBM50244475
PNG
((Z)-(2-(hydroxymethyl)-5-oxo-4-(pyridin-3-ylmethyl...)
Show SMILES CN(C)c1ccc(cc1)C(=O)OCC1(CO)C\C(=C\c2cccnc2)C(=O)O1
Show InChI InChI=1S/C21H22N2O5/c1-23(2)18-7-5-16(6-8-18)19(25)27-14-21(13-24)11-17(20(26)28-21)10-15-4-3-9-22-12-15/h3-10,12,24H,11,13-14H2,1-2H3/b17-10-
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1.97E+3n/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


Citation and Details
More data for this
Ligand-Target Pair
RAS guanyl releasing protein 3


(Homo sapiens)
BDBM50244927
PNG
((Z)-(2-(hydroxymethyl)-5-oxo-4-(quinolin-2-ylmethy...)
Show SMILES CN(C)c1ccc(cc1)C(=O)OCC1(CO)C\C(=C\c2ccc3ccccc3n2)C(=O)O1
Show InChI InChI=1S/C25H24N2O5/c1-27(2)21-11-8-18(9-12-21)23(29)31-16-25(15-28)14-19(24(30)32-25)13-20-10-7-17-5-3-4-6-22(17)26-20/h3-13,28H,14-16H2,1-2H3/b19-13-
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2.04E+3n/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


Citation and Details
More data for this
Ligand-Target Pair
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