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Compile Data Set for Download or QSAR

Found 155 hits Enz. Inhib. hit(s) with Target = 'Rap guanine nucleotide exchange factor 3' AND taxid = 9606   
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
Rap guanine nucleotide exchange factor 3


(Homo sapiens (Human))
BDBM50511915
PNG
(CHEMBL4517829)
Show SMILES COc1ccc2ccc(OCC(=O)NS(=O)(=O)c3ccc(N)cc3OC)cc2c1
Show InChI InChI=1S/C20H20N2O6S/c1-26-16-6-3-13-4-7-17(10-14(13)9-16)28-12-20(23)22-29(24,25)19-8-5-15(21)11-18(19)27-2/h3-11H,12,21H2,1-2H3,(H,22,23)
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n/an/a 900n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged recombinant EPAC1 CNBD (169 to 318 residues) (unknown origin) expressed in Escherichia coli BL21 Star (DE3) incubated ...


J Med Chem 63: 5159-5184 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02094
BindingDB Entry DOI: 10.7270/Q2M048SB
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 3


(Homo sapiens (Human))
BDBM50511914
PNG
(CHEMBL4576925)
Show SMILES COc1ccc2ccc(OCC(=O)NS(=O)(=O)c3ccc4ccccc4c3)cc2c1
Show InChI InChI=1S/C23H19NO5S/c1-28-20-9-6-17-7-10-21(13-19(17)12-20)29-15-23(25)24-30(26,27)22-11-8-16-4-2-3-5-18(16)14-22/h2-14H,15H2,1H3,(H,24,25)
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n/an/a 2.20E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged recombinant EPAC1 CNBD (169 to 318 residues) (unknown origin) expressed in Escherichia coli BL21 Star (DE3) incubated ...


J Med Chem 63: 5159-5184 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02094
BindingDB Entry DOI: 10.7270/Q2M048SB
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 3


(Homo sapiens (Human))
BDBM517670
PNG
(NY0460 | US11124489, Compound 14)
Show SMILES FC(F)(F)c1cc(NNC(C#N)C(=O)c2cc(on2)-c2ccccc2)ccc1Cl
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n/an/a 2.40E+3n/an/an/an/an/an/a


TBA

Assay Description
To explore the SARs and examine how the modifications on the isoxazole ring affect biological activities of newly synthesized analogues, we first eva...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2FR00SJ
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 3


(Homo sapiens (Human))
BDBM50098793
PNG
(CHEMBL3593342)
Show SMILES CC(C)(C)c1cc(no1)C(=O)C(=N\Nc1cc(Cl)c(Cl)c(Cl)c1)\C#N
Show InChI InChI=1S/C16H13Cl3N4O2/c1-16(2,3)13-6-11(23-25-13)15(24)12(7-20)22-21-8-4-9(17)14(19)10(18)5-8/h4-6,21H,1-3H3/b22-12+
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n/an/a 2.40E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Displacement of 8-NBD-cAMP from recombinant human EPAC1 by fluorescence assay


Bioorg Med Chem Lett 27: 1633-1639 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.065
BindingDB Entry DOI: 10.7270/Q2FF3VXQ
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 3


(Homo sapiens (Human))
BDBM50241941
PNG
(CHEMBL4103080)
Show SMILES FC(F)(F)c1cc(N\N=C(/C#N)C(=O)c2cc(on2)-c2ccccc2)ccc1Cl
Show InChI InChI=1S/C19H10ClF3N4O2/c20-14-7-6-12(8-13(14)19(21,22)23)25-26-16(10-24)18(28)15-9-17(29-27-15)11-4-2-1-3-5-11/h1-9,25H/b26-16+
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n/an/a 2.40E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human full length EPAC1 assessed as inhibition of EPAC1-mediated Rap1B (1 to 167 residues)-BODIPY GDP nucleotide e...


Eur J Med Chem 134: 62-71 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.001
BindingDB Entry DOI: 10.7270/Q2RR21DK
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 3


(Homo sapiens (Human))
BDBM50098719
PNG
(CHEMBL3593329)
Show SMILES CC(C)(C)c1cc(no1)C(=O)C(=N\Nc1cc(Cl)cc(Cl)c1)\C#N
Show InChI InChI=1S/C16H14Cl2N4O2/c1-16(2,3)14-7-12(22-24-14)15(23)13(8-19)21-20-11-5-9(17)4-10(18)6-11/h4-7,20H,1-3H3/b21-13+
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n/an/a 2.40E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant EPAC1 assessed as inhibition of Rap1b-bGDP exchange activity


J Med Chem 58: 6033-47 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00635
BindingDB Entry DOI: 10.7270/Q29025JD
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 3


(Homo sapiens (Human))
BDBM50098793
PNG
(CHEMBL3593342)
Show SMILES CC(C)(C)c1cc(no1)C(=O)C(=N\Nc1cc(Cl)c(Cl)c(Cl)c1)\C#N
Show InChI InChI=1S/C16H13Cl3N4O2/c1-16(2,3)13-6-11(23-25-13)15(24)12(7-20)22-21-8-4-9(17)14(19)10(18)5-8/h4-6,21H,1-3H3/b22-12+
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n/an/a 2.40E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant EPAC1 assessed as inhibition of Rap1b-bGDP exchange activity


J Med Chem 58: 6033-47 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00635
BindingDB Entry DOI: 10.7270/Q29025JD
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 3


(Homo sapiens (Human))
BDBM50098719
PNG
(CHEMBL3593329)
Show SMILES CC(C)(C)c1cc(no1)C(=O)C(=N\Nc1cc(Cl)cc(Cl)c1)\C#N
Show InChI InChI=1S/C16H14Cl2N4O2/c1-16(2,3)14-7-12(22-24-14)15(23)13(8-19)21-20-11-5-9(17)4-10(18)6-11/h4-7,20H,1-3H3/b21-13+
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n/an/a 2.40E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Displacement of 8-NBD-cAMP from recombinant human EPAC1 by fluorescence assay


Bioorg Med Chem Lett 27: 1633-1639 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.065
BindingDB Entry DOI: 10.7270/Q2FF3VXQ
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 3


(Homo sapiens (Human))
BDBM50098787
PNG
(CHEMBL3593468)
Show SMILES Clc1cc(Cl)cc(N\N=C(/C#N)C(=O)c2cc(on2)C2CCCCC2)c1
Show InChI InChI=1S/C18H16Cl2N4O2/c19-12-6-13(20)8-14(7-12)22-23-16(10-21)18(25)15-9-17(26-24-15)11-4-2-1-3-5-11/h6-9,11,22H,1-5H2/b23-16+
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n/an/a 2.60E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant EPAC1 assessed as inhibition of Rap1b-bGDP exchange activity


J Med Chem 58: 6033-47 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00635
BindingDB Entry DOI: 10.7270/Q29025JD
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 3


(Homo sapiens (Human))
BDBM50098793
PNG
(CHEMBL3593342)
Show SMILES CC(C)(C)c1cc(no1)C(=O)C(=N\Nc1cc(Cl)c(Cl)c(Cl)c1)\C#N
Show InChI InChI=1S/C16H13Cl3N4O2/c1-16(2,3)13-6-11(23-25-13)15(24)12(7-20)22-21-8-4-9(17)14(19)10(18)5-8/h4-6,21H,1-3H3/b22-12+
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n/an/a 2.70E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human full length EPAC1 assessed as inhibition of EPAC1-mediated Rap1B (1 to 167 residues)-BODIPY GDP nucleotide e...


Eur J Med Chem 134: 62-71 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.001
BindingDB Entry DOI: 10.7270/Q2RR21DK
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 3


(Homo sapiens (Human))
BDBM50241952
PNG
(CHEMBL4099528)
Show SMILES FC(F)(F)c1cc(N\N=C(/C#N)C(=O)c2noc3ccccc23)ccc1Cl
Show InChI InChI=1S/C17H8ClF3N4O2/c18-12-6-5-9(7-11(12)17(19,20)21)23-24-13(8-22)16(26)15-10-3-1-2-4-14(10)27-25-15/h1-7,23H/b24-13+
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n/an/a 2.70E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
In vito concentration required to displace [3H]cyclofoxy (Kd = 0.8 nM and concentration is 1.3 nM) from mu and kappa2 receptor in rat brain membranes...


Eur J Med Chem 134: 62-71 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.001
BindingDB Entry DOI: 10.7270/Q2RR21DK
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 3


(Homo sapiens (Human))
BDBM517689
PNG
(NY0562 | US11124489, Compound 33)
Show SMILES FC(F)(F)c1cc(NNC(C#N)C(=O)c2noc3ccccc23)ccc1Cl
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TBA

Assay Description
To explore the SARs and examine how the modifications on the isoxazole ring affect biological activities of newly synthesized analogues, we first eva...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2FR00SJ
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 3


(Homo sapiens (Human))
BDBM517688
PNG
(NY0561 | US11124489, Compound 32)
Show SMILES FC(F)(F)c1ccc(NNC(C#N)C(=O)c2noc3ccccc23)cc1Cl
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n/an/a 3.00E+3n/an/an/an/an/an/a


TBA

Assay Description
To explore the SARs and examine how the modifications on the isoxazole ring affect biological activities of newly synthesized analogues, we first eva...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2FR00SJ
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 3


(Homo sapiens (Human))
BDBM50241961
PNG
(CHEMBL4081514)
Show SMILES FC(F)(F)c1ccc(N\N=C(/C#N)C(=O)c2noc3ccccc23)cc1Cl
Show InChI InChI=1S/C17H8ClF3N4O2/c18-12-7-9(5-6-11(12)17(19,20)21)23-24-13(8-22)16(26)15-10-3-1-2-4-14(10)27-25-15/h1-7,23H/b24-13+
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n/an/a 3.00E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human full length EPAC1 assessed as inhibition of EPAC1-mediated Rap1B (1 to 167 residues)-BODIPY GDP nucleotide e...


Eur J Med Chem 134: 62-71 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.001
BindingDB Entry DOI: 10.7270/Q2RR21DK
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 3


(Homo sapiens (Human))
BDBM50011360
PNG
(CHEMBL3260990)
Show SMILES CC(C)(C)c1cc(no1)C(=O)C(=N\Nc1cccc(Cl)c1)\C#N
Show InChI InChI=1S/C16H15ClN4O2/c1-16(2,3)14-8-12(21-23-14)15(22)13(9-18)20-19-11-6-4-5-10(17)7-11/h4-8,19H,1-3H3/b20-13+
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n/an/a 3.20E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of EPAC1 (unknown origin)


Bioorg Med Chem Lett 27: 1633-1639 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.065
BindingDB Entry DOI: 10.7270/Q2FF3VXQ
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 3


(Homo sapiens (Human))
BDBM50011360
PNG
(CHEMBL3260990)
Show SMILES CC(C)(C)c1cc(no1)C(=O)C(=N\Nc1cccc(Cl)c1)\C#N
Show InChI InChI=1S/C16H15ClN4O2/c1-16(2,3)14-8-12(21-23-14)15(22)13(9-18)20-19-11-6-4-5-10(17)7-11/h4-8,19H,1-3H3/b20-13+
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n/an/a 3.20E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of EPAC1 (unknown origin) assessed as cAMP-mediated GEF activity


J Med Chem 57: 3651-65 (2014)


Article DOI: 10.1021/jm401425e
BindingDB Entry DOI: 10.7270/Q2WH2RJW
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 3


(Homo sapiens (Human))
BDBM50280395
PNG
(CHEMBL4171480)
Show SMILES C[C@@H]1CCc2c(Br)c(F)c(Br)cc2N1C=O |r|
Show InChI InChI=1S/C11H10Br2FNO/c1-6-2-3-7-9(15(6)5-16)4-8(12)11(14)10(7)13/h4-6H,2-3H2,1H3/t6-/m1/s1
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n/an/a 3.30E+3n/an/an/an/an/an/a



Institute for Research in Cancer and Allied Diseases

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged EPAC1 (149 to 881 residues) expressed in Escherichia coli Rosetta 2(DE3) assessed as reduction in guanine ...


ACS Med Chem Lett 8: 1183-1187 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00358
BindingDB Entry DOI: 10.7270/Q20C4Z83
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 3


(Homo sapiens (Human))
BDBM50452020
PNG
(CHEMBL4213611)
Show SMILES Clc1cc(Cl)cc(N\N=C(/C#N)C(=O)c2ccc3CCCCc3c2)c1
Show InChI InChI=1S/C19H15Cl2N3O/c20-15-8-16(21)10-17(9-15)23-24-18(11-22)19(25)14-6-5-12-3-1-2-4-13(12)7-14/h5-10,23H,1-4H2/b24-18+
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University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant full length EPAC1 (unknown origin) assessed as inhibition of cAMP-mediated Rap1b-BODIPY GDP nucleotide exchange ac...


Bioorg Med Chem Lett 27: 5163-5166 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.056
BindingDB Entry DOI: 10.7270/Q2TB19FF
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 3


(Homo sapiens (Human))
BDBM50241957
PNG
(CHEMBL4100650)
Show SMILES FC(F)(F)c1cc(Cl)cc(N\N=C(/C#N)C(=O)c2cc(on2)-c2ccco2)c1
Show InChI InChI=1S/C17H8ClF3N4O3/c18-10-4-9(17(19,20)21)5-11(6-10)23-24-13(8-22)16(26)12-7-15(28-25-12)14-2-1-3-27-14/h1-7,23H/b24-13+
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University of Texas Medical Branch

Curated by ChEMBL


Assay Description
In vito concentration required to displace [3H]cyclofoxy (Kd = 0.8 nM and concentration is 1.3 nM) from mu and kappa2 receptor in rat brain membranes...


Eur J Med Chem 134: 62-71 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.001
BindingDB Entry DOI: 10.7270/Q2RR21DK
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 3


(Homo sapiens (Human))
BDBM517717
PNG
(US11124489, Entry 32 | ZL0524)
Show SMILES Clc1cc(Cl)cc(NNC(C#N)C(=O)c2ccc3CCCCc3c2)c1
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TBA

Assay Description
To explore the SARs and examine how the modifications on the isoxazole ring affect biological activities of newly synthesized analogues, we first eva...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2FR00SJ
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 3


(Homo sapiens (Human))
BDBM517684
PNG
(NY0725 | US11124489, Compound 26)
Show SMILES FC(F)(F)c1cc(Cl)cc(NNC(C#N)C(=O)c2cc(on2)-c2ccco2)c1
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TBA

Assay Description
To explore the SARs and examine how the modifications on the isoxazole ring affect biological activities of newly synthesized analogues, we first eva...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2FR00SJ
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 3


(Homo sapiens (Human))
BDBM50098797
PNG
(CHEMBL3593471)
Show SMILES Clc1cc(N\N=C(/C#N)C(=O)c2cc(on2)C2CCCCC2)cc(Cl)c1Cl
Show InChI InChI=1S/C18H15Cl3N4O2/c19-12-6-11(7-13(20)17(12)21)23-24-15(9-22)18(26)14-8-16(27-25-14)10-4-2-1-3-5-10/h6-8,10,23H,1-5H2/b24-15+
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n/an/a 4.00E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant EPAC1 assessed as inhibition of Rap1b-bGDP exchange activity


J Med Chem 58: 6033-47 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00635
BindingDB Entry DOI: 10.7270/Q29025JD
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 3


(Homo sapiens (Human))
BDBM50098796
PNG
(CHEMBL3593470)
Show SMILES Clc1cc(N\N=C(/C#N)C(=O)c2cc(on2)C2CC2)cc(Cl)c1Cl
Show InChI InChI=1S/C15H9Cl3N4O2/c16-9-3-8(4-10(17)14(9)18)20-21-12(6-19)15(23)11-5-13(24-22-11)7-1-2-7/h3-5,7,20H,1-2H2/b21-12+
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n/an/a 4.10E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant EPAC1 assessed as inhibition of Rap1b-bGDP exchange activity


J Med Chem 58: 6033-47 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00635
BindingDB Entry DOI: 10.7270/Q29025JD
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 3


(Homo sapiens (Human))
BDBM517685
PNG
(NY0726 | US11124489, Compound 27)
Show SMILES FC(F)(F)c1cc(NNC(C#N)C(=O)c2cc(on2)-c2ccco2)ccc1Cl
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Assay Description
To explore the SARs and examine how the modifications on the isoxazole ring affect biological activities of newly synthesized analogues, we first eva...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2FR00SJ
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 3


(Homo sapiens (Human))
BDBM50241954
PNG
(CHEMBL4082655)
Show SMILES FC(F)(F)c1cc(N\N=C(/C#N)C(=O)c2cc(on2)-c2ccco2)ccc1Cl
Show InChI InChI=1S/C17H8ClF3N4O3/c18-11-4-3-9(6-10(11)17(19,20)21)23-24-13(8-22)16(26)12-7-15(28-25-12)14-2-1-5-27-14/h1-7,23H/b24-13+
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n/an/a 4.20E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human full length EPAC1 assessed as inhibition of EPAC1-mediated Rap1B (1 to 167 residues)-BODIPY GDP nucleotide e...


Eur J Med Chem 134: 62-71 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.001
BindingDB Entry DOI: 10.7270/Q2RR21DK
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 3


(Homo sapiens (Human))
BDBM50280395
PNG
(CHEMBL4171480)
Show SMILES C[C@@H]1CCc2c(Br)c(F)c(Br)cc2N1C=O |r|
Show InChI InChI=1S/C11H10Br2FNO/c1-6-2-3-7-9(15(6)5-16)4-8(12)11(14)10(7)13/h4-6H,2-3H2,1H3/t6-/m1/s1
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n/an/a 4.20E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human GST-fused EPAC1 (149 to 881 residues) expressed in Escherichia coli Rosetta (DE3) assessed as inhibition of ...


Bioorg Med Chem Lett 27: 5163-5166 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.056
BindingDB Entry DOI: 10.7270/Q2TB19FF
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 3


(Homo sapiens (Human))
BDBM50098794
PNG
(CHEMBL3593341)
Show SMILES CC(C)(C)c1cc(no1)C(=O)C(=N\Nc1ccc(c(Cl)c1)C(F)(F)F)\C#N
Show InChI InChI=1S/C17H14ClF3N4O2/c1-16(2,3)14-7-12(25-27-14)15(26)13(8-22)24-23-9-4-5-10(11(18)6-9)17(19,20)21/h4-7,23H,1-3H3/b24-13+
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n/an/a 4.30E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant EPAC1 assessed as inhibition of Rap1b-bGDP exchange activity


J Med Chem 58: 6033-47 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00635
BindingDB Entry DOI: 10.7270/Q29025JD
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 3


(Homo sapiens (Human))
BDBM517687
PNG
(NY0495 | US11124489, Compound 31)
Show SMILES FC(F)(F)c1cc(Cl)cc(NNC(C#N)C(=O)c2noc3ccccc23)c1
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To explore the SARs and examine how the modifications on the isoxazole ring affect biological activities of newly synthesized analogues, we first eva...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2FR00SJ
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 3


(Homo sapiens (Human))
BDBM50241953
PNG
(CHEMBL4091792)
Show SMILES FC(F)(F)c1cc(Cl)cc(N\N=C(/C#N)C(=O)c2noc3ccccc23)c1
Show InChI InChI=1S/C17H8ClF3N4O2/c18-10-5-9(17(19,20)21)6-11(7-10)23-24-13(8-22)16(26)15-12-3-1-2-4-14(12)27-25-15/h1-7,23H/b24-13+
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University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human full length EPAC1 assessed as inhibition of EPAC1-mediated Rap1B (1 to 167 residues)-BODIPY GDP nucleotide e...


Eur J Med Chem 134: 62-71 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.001
BindingDB Entry DOI: 10.7270/Q2RR21DK
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 3


(Homo sapiens (Human))
BDBM50511913
PNG
(CHEMBL4459738)
Show SMILES Cc1cc(Nc2ncccc2C(F)(F)F)cc(c1)S(=O)(=O)NC(=O)COc1ccc2ccccc2c1
Show InChI InChI=1S/C25H20F3N3O4S/c1-16-11-19(30-24-22(25(26,27)28)7-4-10-29-24)14-21(12-16)36(33,34)31-23(32)15-35-20-9-8-17-5-2-3-6-18(17)13-20/h2-14H,15H2,1H3,(H,29,30)(H,31,32)
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n/an/a 4.60E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged recombinant EPAC1 CNBD (169 to 318 residues) (unknown origin) expressed in Escherichia coli BL21 Star (DE3) incubated ...


J Med Chem 63: 5159-5184 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02094
BindingDB Entry DOI: 10.7270/Q2M048SB
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 3


(Homo sapiens (Human))
BDBM50511918
PNG
(CHEMBL4450888)
Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)NC(=O)COc1ccc2ccccc2c1
Show InChI InChI=1S/C20H19NO6S/c1-25-16-9-10-19(18(12-16)26-2)28(23,24)21-20(22)13-27-17-8-7-14-5-3-4-6-15(14)11-17/h3-12H,13H2,1-2H3,(H,21,22)
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n/an/a 4.80E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged recombinant EPAC1 CNBD (169 to 318 residues) (unknown origin) expressed in Escherichia coli BL21 Star (DE3) incubated ...


J Med Chem 63: 5159-5184 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02094
BindingDB Entry DOI: 10.7270/Q2M048SB
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 3


(Homo sapiens (Human))
BDBM517675
PNG
(NY0541 | US11124489, Compound 17b)
Show SMILES FC(F)(F)c1ccc(NNC(C#N)C(=O)c2cc(on2)-c2ccccc2)cc1Cl
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Assay Description
To explore the SARs and examine how the modifications on the isoxazole ring affect biological activities of newly synthesized analogues, we first eva...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2FR00SJ
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 3


(Homo sapiens (Human))
BDBM517696
PNG
(US11124489, Entry 11 | ZL0475)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)C(NNc1cc(Cl)cc(Cl)c1)C#N
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To explore the SARs and examine how the modifications on the isoxazole ring affect biological activities of newly synthesized analogues, we first eva...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2FR00SJ
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 3


(Homo sapiens (Human))
BDBM50452021
PNG
(CHEMBL4210825)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)C(=N\Nc1cc(Cl)cc(Cl)c1)\C#N
Show InChI InChI=1S/C19H17Cl2N3O/c1-19(2,3)13-6-4-12(5-7-13)18(25)17(11-22)24-23-16-9-14(20)8-15(21)10-16/h4-10,23H,1-3H3/b24-17+
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n/an/a 5.40E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant full length EPAC1 (unknown origin) assessed as inhibition of cAMP-mediated Rap1b-BODIPY GDP nucleotide exchange ac...


Bioorg Med Chem Lett 27: 5163-5166 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.056
BindingDB Entry DOI: 10.7270/Q2TB19FF
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 3


(Homo sapiens (Human))
BDBM517701
PNG
(US11124489, Entry 15 | ZL0479)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)C(NNc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C#N
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Assay Description
To explore the SARs and examine how the modifications on the isoxazole ring affect biological activities of newly synthesized analogues, we first eva...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2FR00SJ
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 3


(Homo sapiens (Human))
BDBM50280395
PNG
(CHEMBL4171480)
Show SMILES C[C@@H]1CCc2c(Br)c(F)c(Br)cc2N1C=O |r|
Show InChI InChI=1S/C11H10Br2FNO/c1-6-2-3-7-9(15(6)5-16)4-8(12)11(14)10(7)13/h4-6H,2-3H2,1H3/t6-/m1/s1
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n/an/a 5.50E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant full length EPAC1 (unknown origin) assessed as inhibition of cAMP-mediated Rap1b-BODIPY GDP nucleotide exchange ac...


Bioorg Med Chem Lett 27: 5163-5166 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.056
BindingDB Entry DOI: 10.7270/Q2TB19FF
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 3


(Homo sapiens (Human))
BDBM50452009
PNG
(CHEMBL4205201)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)C(=N\Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)\C#N
Show InChI InChI=1S/C21H17F6N3O/c1-19(2,3)13-6-4-12(5-7-13)18(31)17(11-28)30-29-16-9-14(20(22,23)24)8-15(10-16)21(25,26)27/h4-10,29H,1-3H3/b30-17+
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n/an/a 5.50E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant full length EPAC1 (unknown origin) assessed as inhibition of cAMP-mediated Rap1b-BODIPY GDP nucleotide exchange ac...


Bioorg Med Chem Lett 27: 5163-5166 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.056
BindingDB Entry DOI: 10.7270/Q2TB19FF
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 3


(Homo sapiens (Human))
BDBM50241958
PNG
(CHEMBL4063555)
Show SMILES COc1ccc(cc1)-c1cc(no1)C(=O)C(=N\Nc1ccc(Cl)c(c1)C(F)(F)F)\C#N
Show InChI InChI=1S/C20H12ClF3N4O3/c1-30-13-5-2-11(3-6-13)18-9-16(28-31-18)19(29)17(10-25)27-26-12-4-7-15(21)14(8-12)20(22,23)24/h2-9,26H,1H3/b27-17+
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n/an/a 5.60E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human full length EPAC1 assessed as inhibition of EPAC1-mediated Rap1B (1 to 167 residues)-BODIPY GDP nucleotide e...


Eur J Med Chem 134: 62-71 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.001
BindingDB Entry DOI: 10.7270/Q2RR21DK
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 3


(Homo sapiens (Human))
BDBM517681
PNG
(NY0654 | US11124489, Compound 23)
Show SMILES COc1ccc(cc1)-c1cc(no1)C(=O)C(NNc1ccc(Cl)c(c1)C(F)(F)F)C#N
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Assay Description
To explore the SARs and examine how the modifications on the isoxazole ring affect biological activities of newly synthesized analogues, we first eva...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2FR00SJ
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 3


(Homo sapiens (Human))
BDBM50451965
PNG
(CHEMBL4217436)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)C(=N\Nc1cc(Cl)cc(c1)C(F)(F)F)\C#N
Show InChI InChI=1S/C20H17ClF3N3O/c1-19(2,3)13-6-4-12(5-7-13)18(28)17(11-25)27-26-16-9-14(20(22,23)24)8-15(21)10-16/h4-10,26H,1-3H3/b27-17+
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n/an/a 5.60E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant full length EPAC1 (unknown origin) assessed as inhibition of cAMP-mediated Rap1b-BODIPY GDP nucleotide exchange ac...


Bioorg Med Chem Lett 27: 5163-5166 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.056
BindingDB Entry DOI: 10.7270/Q2TB19FF
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 3


(Homo sapiens (Human))
BDBM517704
PNG
(US11124489, Entry 17 | ZL0560)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)C(NNc1cc(Cl)cc(c1)C(F)(F)F)C#N
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Assay Description
To explore the SARs and examine how the modifications on the isoxazole ring affect biological activities of newly synthesized analogues, we first eva...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2FR00SJ
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 3


(Homo sapiens (Human))
BDBM517682
PNG
(NY0655 | US11124489, Compound 24)
Show SMILES COc1ccc(cc1)-c1cc(no1)C(=O)C(NNc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C#N
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Assay Description
To explore the SARs and examine how the modifications on the isoxazole ring affect biological activities of newly synthesized analogues, we first eva...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2FR00SJ
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 3


(Homo sapiens (Human))
BDBM50241966
PNG
(CHEMBL4092921)
Show SMILES COc1ccc(cc1)-c1cc(no1)C(=O)C(=N\Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)\C#N
Show InChI InChI=1S/C21H12F6N4O3/c1-33-15-4-2-11(3-5-15)18-9-16(31-34-18)19(32)17(10-28)30-29-14-7-12(20(22,23)24)6-13(8-14)21(25,26)27/h2-9,29H,1H3/b30-17+
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n/an/a 5.60E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human full length EPAC1 assessed as inhibition of EPAC1-mediated Rap1B (1 to 167 residues)-BODIPY GDP nucleotide e...


Eur J Med Chem 134: 62-71 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.001
BindingDB Entry DOI: 10.7270/Q2RR21DK
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 3


(Homo sapiens (Human))
BDBM50098716
PNG
(CHEMBL3593332)
Show SMILES CC(C)(C)c1cc(no1)C(=O)C(=N\Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)\C#N
Show InChI InChI=1S/C18H14F6N4O2/c1-16(2,3)14-7-12(28-30-14)15(29)13(8-25)27-26-11-5-9(17(19,20)21)4-10(6-11)18(22,23)24/h4-7,26H,1-3H3/b27-13+
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n/an/a 5.70E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant EPAC1 assessed as inhibition of Rap1b-bGDP exchange activity


J Med Chem 58: 6033-47 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00635
BindingDB Entry DOI: 10.7270/Q29025JD
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 3


(Homo sapiens (Human))
BDBM50098713
PNG
(CHEMBL3593335)
Show SMILES CC(C)(C)c1cc(no1)C(=O)C(=N\Nc1cc(Cl)cc(c1)C(F)(F)F)\C#N
Show InChI InChI=1S/C17H14ClF3N4O2/c1-16(2,3)14-7-12(25-27-14)15(26)13(8-22)24-23-11-5-9(17(19,20)21)4-10(18)6-11/h4-7,23H,1-3H3/b24-13+
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n/an/a 5.70E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant EPAC1 assessed as inhibition of Rap1b-bGDP exchange activity


J Med Chem 58: 6033-47 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00635
BindingDB Entry DOI: 10.7270/Q29025JD
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 3


(Homo sapiens (Human))
BDBM517702
PNG
(US11124489, Entry 16 | ZL0559)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)C(NNc1ccc(Cl)c(c1)C(F)(F)F)C#N
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n/an/a 6.10E+3n/an/an/an/an/an/a


TBA

Assay Description
To explore the SARs and examine how the modifications on the isoxazole ring affect biological activities of newly synthesized analogues, we first eva...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2FR00SJ
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 3


(Homo sapiens (Human))
BDBM50451966
PNG
(CHEMBL4205731)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)C(=N\Nc1ccc(Cl)c(c1)C(F)(F)F)\C#N
Show InChI InChI=1S/C20H17ClF3N3O/c1-19(2,3)13-6-4-12(5-7-13)18(28)17(11-25)27-26-14-8-9-16(21)15(10-14)20(22,23)24/h4-10,26H,1-3H3/b27-17+
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.10E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant full length EPAC1 (unknown origin) assessed as inhibition of cAMP-mediated Rap1b-BODIPY GDP nucleotide exchange ac...


Bioorg Med Chem Lett 27: 5163-5166 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.056
BindingDB Entry DOI: 10.7270/Q2TB19FF
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 3


(Homo sapiens (Human))
BDBM517698
PNG
(US11124489, Entry 13 | ZL0477)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)C(NNc1cc(F)cc(Cl)c1)C#N
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 6.40E+3n/an/an/an/an/an/a


TBA

Assay Description
To explore the SARs and examine how the modifications on the isoxazole ring affect biological activities of newly synthesized analogues, we first eva...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2FR00SJ
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 3


(Homo sapiens (Human))
BDBM50452010
PNG
(CHEMBL4209582)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)C(=N\Nc1cc(F)cc(Cl)c1)\C#N
Show InChI InChI=1S/C19H17ClFN3O/c1-19(2,3)13-6-4-12(5-7-13)18(25)17(11-22)24-23-16-9-14(20)8-15(21)10-16/h4-10,23H,1-3H3/b24-17+
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.40E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant full length EPAC1 (unknown origin) assessed as inhibition of cAMP-mediated Rap1b-BODIPY GDP nucleotide exchange ac...


Bioorg Med Chem Lett 27: 5163-5166 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.056
BindingDB Entry DOI: 10.7270/Q2TB19FF
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 3


(Homo sapiens (Human))
BDBM517692
PNG
(NY0563 | US11124489, Compound 36)
Show SMILES FC(F)(F)c1cc(NNC(C#N)C(=O)c2noc3ccccc23)cc(c1)C(F)(F)F
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 6.70E+3n/an/an/an/an/an/a


TBA

Assay Description
To explore the SARs and examine how the modifications on the isoxazole ring affect biological activities of newly synthesized analogues, we first eva...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2FR00SJ
More data for this
Ligand-Target Pair
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