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Compile Data Set for Download or QSAR

Found 21 hits Enz. Inhib. hit(s) with Target = 'RAS guanyl-releasing protein 1'   
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 1


(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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0.25n/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))
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))
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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0.580n/an/an/an/an/an/an/an/a



National Institute of Industrial Technology

Curated by ChEMBL


Assay Description
Displacement of [20-3H]phorbol 12,13-dibutyrate from RasGRP1 (unknown origin) in the presence of porcine brain phosphatidylserine by scintillation co...


Bioorg Med Chem 25: 2971-2980 (2017)


Article DOI: 10.1016/j.bmc.2017.03.022
BindingDB Entry DOI: 10.7270/Q28P62P2
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 1


(Rattus norvegicus)
BDBM50057514
PNG
((10S,13S)-13-Hydroxymethyl-10-isopropyl-9-methyl-5...)
Show SMILES CCCCCCCCc1ccc2N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)Cc3c[nH]c1c23
Show InChI InChI=1S/C25H39N3O2/c1-5-6-7-8-9-10-11-18-12-13-21-22-19(15-26-23(18)22)14-20(16-29)27-25(30)24(17(2)3)28(21)4/h12-13,15,17,20,24,26,29H,5-11,14,16H2,1-4H3,(H,27,30)/t20-,24-/m0/s1
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0.850n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity against RAS guanyl releasing protein using [3H]- PDBu as the labeled ligand


J Med Chem 45: 853-60 (2002)


BindingDB Entry DOI: 10.7270/Q20C4V25
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 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 1


(Rattus norvegicus)
BDBM50057511
PNG
((+/-)-indolactum-V 13-Hydroxymethyl-10-isopropyl-9...)
Show SMILES CC(C)[C@@H]1N(C)c2cccc3[nH]cc(C[C@@H](CO)NC1=O)c23
Show InChI InChI=1S/C17H23N3O2/c1-10(2)16-17(22)19-12(9-21)7-11-8-18-13-5-4-6-14(15(11)13)20(16)3/h4-6,8,10,12,16,18,21H,7,9H2,1-3H3,(H,19,22)/t12-,16-/m0/s1
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2.54n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity against RAS guanyl releasing protein using [3H]- PDBu as the labeled ligand


J Med Chem 45: 853-60 (2002)


BindingDB Entry DOI: 10.7270/Q20C4V25
More data for this
Ligand-Target Pair
RAS guanyl-releasing protein 1


(Rattus norvegicus)
BDBM50057509
PNG
((2S,5S)-8-Dec-1-ynyl-5-hydroxymethyl-2-isopropyl-1...)
Show SMILES CCCCCCCCC#Cc1ccc2N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)Cc2c1
Show InChI InChI=1S/C25H38N2O2/c1-5-6-7-8-9-10-11-12-13-20-14-15-23-21(16-20)17-22(18-28)26-25(29)24(19(2)3)27(23)4/h14-16,19,22,24,28H,5-11,17-18H2,1-4H3,(H,26,29)/t22-,24-/m0/s1
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6.15n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity against RAS guanyl releasing protein using [3H]- PDBu as the labeled ligand


J Med Chem 45: 853-60 (2002)


BindingDB Entry DOI: 10.7270/Q20C4V25
More data for this
Ligand-Target Pair
RAS guanyl-releasing protein 1


(Rattus norvegicus)
BDBM50096601
PNG
((2S,5S)-8-Dec-1-ynyl-5-hydroxymethyl-2-isopropyl-7...)
Show SMILES CCCCCCCCC#Cc1ccc2N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)Cc2c1OC
Show InChI InChI=1S/C26H40N2O3/c1-6-7-8-9-10-11-12-13-14-20-15-16-23-22(25(20)31-5)17-21(18-29)27-26(30)24(19(2)3)28(23)4/h15-16,19,21,24,29H,6-12,17-18H2,1-5H3,(H,27,30)/t21-,24-/m0/s1
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13.9n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity against RAS guanyl releasing protein using [3H]- PDBu as the labeled ligand


J Med Chem 45: 853-60 (2002)


BindingDB Entry DOI: 10.7270/Q20C4V25
More data for this
Ligand-Target Pair
RAS guanyl-releasing protein 1


(Homo sapiens (Human))
BDBM50241849
PNG
(CHEMBL4070999)
Show SMILES CC(C)C(C\C=C1\CC(CO)(COC(=O)c2cn(C)c3ccccc23)OC1=O)C(C)C
Show InChI InChI=1S/C25H33NO5/c1-16(2)19(17(3)4)11-10-18-12-25(14-27,31-23(18)28)15-30-24(29)21-13-26(5)22-9-7-6-8-20(21)22/h6-10,13,16-17,19,27H,11-12,14-15H2,1-5H3/b18-10-
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23n/an/an/an/an/an/an/an/a



National Institute of Industrial Technology

Curated by ChEMBL


Assay Description
Displacement of [20-3H]phorbol 12,13-dibutyrate from RasGRP1 (unknown origin) in the presence of porcine brain phosphatidylserine by scintillation co...


Bioorg Med Chem 25: 2971-2980 (2017)


Article DOI: 10.1016/j.bmc.2017.03.022
BindingDB Entry DOI: 10.7270/Q28P62P2
More data for this
Ligand-Target Pair
RAS guanyl-releasing protein 1


(Homo sapiens (Human))
BDBM50241856
PNG
(CHEMBL4097154)
Show SMILES Cc1ccc(cc1)C#Cc1ccc(C=C2CC(CO)(COC(=O)c3cn(C)c4ccccc34)OC2=O)cc1
Show InChI InChI=1S/C32H27NO5/c1-22-7-9-23(10-8-22)11-12-24-13-15-25(16-14-24)17-26-18-32(20-34,38-30(26)35)21-37-31(36)28-19-33(2)29-6-4-3-5-27(28)29/h3-10,13-17,19,34H,18,20-21H2,1-2H3
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23n/an/an/an/an/an/an/an/a



National Institute of Industrial Technology

Curated by ChEMBL


Assay Description
Displacement of [20-3H]phorbol 12,13-dibutyrate from RasGRP1 (unknown origin) in the presence of porcine brain phosphatidylserine by scintillation co...


Bioorg Med Chem 25: 2971-2980 (2017)


Article DOI: 10.1016/j.bmc.2017.03.022
BindingDB Entry DOI: 10.7270/Q28P62P2
More data for this
Ligand-Target Pair
RAS guanyl-releasing protein 1


(Homo sapiens (Human))
BDBM50241855
PNG
(CHEMBL4075373)
Show SMILES CC(C)C(C\C=C1/CC(CO)(COC(=O)c2cn(C)c3ccccc23)OC1=O)C(C)C
Show InChI InChI=1S/C25H33NO5/c1-16(2)19(17(3)4)11-10-18-12-25(14-27,31-23(18)28)15-30-24(29)21-13-26(5)22-9-7-6-8-20(21)22/h6-10,13,16-17,19,27H,11-12,14-15H2,1-5H3/b18-10+
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31n/an/an/an/an/an/an/an/a



National Institute of Industrial Technology

Curated by ChEMBL


Assay Description
Displacement of [20-3H]phorbol 12,13-dibutyrate from RasGRP1 (unknown origin) in the presence of porcine brain phosphatidylserine by scintillation co...


Bioorg Med Chem 25: 2971-2980 (2017)


Article DOI: 10.1016/j.bmc.2017.03.022
BindingDB Entry DOI: 10.7270/Q28P62P2
More data for this
Ligand-Target Pair
RAS guanyl-releasing protein 1


(Homo sapiens (Human))
BDBM50241846
PNG
(CHEMBL4069954)
Show SMILES Cc1ccc(cc1)C#Cc1ccc(\C=C2/CC(CO)(COC(=O)c3cn(C)c4ccccc34)OC2=O)cc1
Show InChI InChI=1S/C32H27NO5/c1-22-7-9-23(10-8-22)11-12-24-13-15-25(16-14-24)17-26-18-32(20-34,38-30(26)35)21-37-31(36)28-19-33(2)29-6-4-3-5-27(28)29/h3-10,13-17,19,34H,18,20-21H2,1-2H3/b26-17+
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40n/an/an/an/an/an/an/an/a



National Institute of Industrial Technology

Curated by ChEMBL


Assay Description
Displacement of [20-3H]phorbol 12,13-dibutyrate from RasGRP1 (unknown origin) in the presence of porcine brain phosphatidylserine by scintillation co...


Bioorg Med Chem 25: 2971-2980 (2017)


Article DOI: 10.1016/j.bmc.2017.03.022
BindingDB Entry DOI: 10.7270/Q28P62P2
More data for this
Ligand-Target Pair
RAS guanyl-releasing protein 1


(Homo sapiens (Human))
BDBM50241851
PNG
(CHEMBL4099579)
Show SMILES CCCCCCCCC\C=C1/CC(CO)(COC(=O)c2cn(C)c3ccccc23)OC1=O
Show InChI InChI=1S/C26H35NO5/c1-3-4-5-6-7-8-9-10-13-20-16-26(18-28,32-24(20)29)19-31-25(30)22-17-27(2)23-15-12-11-14-21(22)23/h11-15,17,28H,3-10,16,18-19H2,1-2H3/b20-13+
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63n/an/an/an/an/an/an/an/a



National Institute of Industrial Technology

Curated by ChEMBL


Assay Description
Displacement of [20-3H]phorbol 12,13-dibutyrate from RasGRP1 (unknown origin) in the presence of porcine brain phosphatidylserine by scintillation co...


Bioorg Med Chem 25: 2971-2980 (2017)


Article DOI: 10.1016/j.bmc.2017.03.022
BindingDB Entry DOI: 10.7270/Q28P62P2
More data for this
Ligand-Target Pair
RAS guanyl-releasing protein 1


(Homo sapiens (Human))
BDBM50241850
PNG
(CHEMBL4081576)
Show SMILES CCCC(CCC)\C=C1/CC(CO)(COC(=O)c2cn(C)c3ccccc23)OC1=O
Show InChI InChI=1S/C24H31NO5/c1-4-8-17(9-5-2)12-18-13-24(15-26,30-22(18)27)16-29-23(28)20-14-25(3)21-11-7-6-10-19(20)21/h6-7,10-12,14,17,26H,4-5,8-9,13,15-16H2,1-3H3/b18-12+
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133n/an/an/an/an/an/an/an/a



National Institute of Industrial Technology

Curated by ChEMBL


Assay Description
Displacement of [20-3H]phorbol 12,13-dibutyrate from RasGRP1 (unknown origin) in the presence of porcine brain phosphatidylserine by scintillation co...


Bioorg Med Chem 25: 2971-2980 (2017)


Article DOI: 10.1016/j.bmc.2017.03.022
BindingDB Entry DOI: 10.7270/Q28P62P2
More data for this
Ligand-Target Pair
RAS guanyl-releasing protein 1


(Homo sapiens (Human))
BDBM50241854
PNG
(CHEMBL4066764)
Show SMILES [#6]\[#6](-[#6])=[#6]-1/[#6]C([#6]-[#8])([#6]-[#8]-[#6](=O)-c2cn(-[#6])c3ccccc23)[#8]-[#6]-1=O
Show InChI InChI=1S/C19H21NO5/c1-12(2)14-8-19(10-21,25-18(14)23)11-24-17(22)15-9-20(3)16-7-5-4-6-13(15)16/h4-7,9,21H,8,10-11H2,1-3H3
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666n/an/an/an/an/an/an/an/a



National Institute of Industrial Technology

Curated by ChEMBL


Assay Description
Displacement of [20-3H]phorbol 12,13-dibutyrate from RasGRP1 (unknown origin) in the presence of porcine brain phosphatidylserine by scintillation co...


Bioorg Med Chem 25: 2971-2980 (2017)


Article DOI: 10.1016/j.bmc.2017.03.022
BindingDB Entry DOI: 10.7270/Q28P62P2
More data for this
Ligand-Target Pair
RAS guanyl-releasing protein 1


(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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n/an/an/an/a 3.73E+3n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Activation of GFP-tagged RasGRP1 (unknown origin) expressed in human LNCAP cells assessed as ERK1/2 phosphorylation after 30 mins by immunoblot metho...


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 1


(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+
PDB

KEGG

UniProtKB/SwissProt

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n/an/an/an/a 860n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Activation of GFP-tagged RasGRP1 (unknown origin) expressed in HEK293 cells after 30 mins by immunoblot method


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 1


(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+
PDB

KEGG

UniProtKB/SwissProt

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n/an/an/an/a 4.88E+3n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Activation of GFP-tagged RasGRP1 (unknown origin) expressed in HEK293 cells assessed as ERK1/2 phosphorylation after 30 mins by immunoblot method


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 1


(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+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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PC cid
PC sid
UniChem

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Article
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n/an/an/an/a 970n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Activation of GFP-tagged RasGRP1 (unknown origin) expressed in human LNCAP cells after 30 mins by immunoblot method


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