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Compile Data Set for Download or QSAR

Found 98 hits Enz. Inhib. hit(s) with Target = 'Rap guanine nucleotide exchange factor 3'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
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
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
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))
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
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))
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))
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))
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))
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) 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))
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))
BDBM50280395
PNG
(CHEMBL4171480)
Show SMILES C[C@@H]1CCc2c(Br)c(F)c(Br)cc2N1C=O
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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n/an/a 3.60E+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))
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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n/an/a 3.60E+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))
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))
BDBM50280395
PNG
(CHEMBL4171480)
Show SMILES C[C@@H]1CCc2c(Br)c(F)c(Br)cc2N1C=O
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))
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))
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))
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
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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n/an/a 4.60E+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))
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
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))
BDBM50280395
PNG
(CHEMBL4171480)
Show SMILES C[C@@H]1CCc2c(Br)c(F)c(Br)cc2N1C=O
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))
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))
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))
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))
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))
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+
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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))
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+
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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))
BDBM50241959
PNG
(CHEMBL4097097)
Show SMILES FC(F)(F)c1cc(N\N=C(/C#N)C(=O)c2noc3ccccc23)cc(c1)C(F)(F)F
Show InChI InChI=1S/C18H8F6N4O2/c19-17(20,21)9-5-10(18(22,23)24)7-11(6-9)26-27-13(8-25)16(29)15-12-3-1-2-4-14(12)30-28-15/h1-7,26H/b27-13+
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n/an/a 6.70E+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))
BDBM50241940
PNG
(CHEMBL4078805)
Show SMILES FC(F)(F)c1cc(N\N=C(/C#N)C(=O)c2cc(on2)-c2ccccc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C20H10F6N4O2/c21-19(22,23)12-6-13(20(24,25)26)8-14(7-12)28-29-16(10-27)18(31)15-9-17(32-30-15)11-4-2-1-3-5-11/h1-9,28H/b29-16+
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n/an/a 7.20E+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))
BDBM50241967
PNG
(CHEMBL4087626)
Show SMILES CC(C)(C)c1ccc(cc1)-c1cc(no1)C(=O)C(=N\Nc1ccc(Cl)c(c1)C(F)(F)F)\C#N
Show InChI InChI=1S/C23H18ClF3N4O2/c1-22(2,3)14-6-4-13(5-7-14)20-11-18(31-33-20)21(32)19(12-28)30-29-15-8-9-17(24)16(10-15)23(25,26)27/h4-11,29H,1-3H3/b30-19+
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n/an/a 7.30E+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))
BDBM50098709
PNG
(CHEMBL3593338)
Show SMILES CC(C)(C)c1cc(no1)C(=O)C(=N\Nc1ccc(F)c(Cl)c1)\C#N
Show InChI InChI=1S/C16H14ClFN4O2/c1-16(2,3)14-7-12(22-24-14)15(23)13(8-19)21-20-9-4-5-11(18)10(17)6-9/h4-7,20H,1-3H3/b21-13+
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n/an/a 7.80E+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))
BDBM50241964
PNG
(CHEMBL4074930)
Show SMILES FC(F)(F)c1cc(N\N=C(/C#N)C(=O)c2cc(on2)-c2ccc(Cl)cc2)ccc1Cl
Show InChI InChI=1S/C19H9Cl2F3N4O2/c20-11-3-1-10(2-4-11)17-8-15(28-30-17)18(29)16(9-25)27-26-12-5-6-14(21)13(7-12)19(22,23)24/h1-8,26H/b27-16+
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n/an/a 7.80E+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))
BDBM50241960
PNG
(CHEMBL4061233)
Show SMILES Fc1ccc(N\N=C(/C#N)C(=O)c2noc3ccccc23)cc1Cl
Show InChI InChI=1S/C16H8ClFN4O2/c17-11-7-9(5-6-12(11)18)20-21-13(8-19)16(23)15-10-3-1-2-4-14(10)24-22-15/h1-7,20H/b21-13+
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n/an/a 8.50E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
In vito concentration required to displace [3H]-BRM (Kd = 1.0 nM and concentration is 1.8 nM) from opioid receptor kappa 2 in guinea 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))
BDBM50241951
PNG
(CHEMBL4092801)
Show SMILES CC(C)(C)c1ccc(cc1)-c1cc(no1)C(=O)C(=N\Nc1cccc(Cl)c1)\C#N
Show InChI InChI=1S/C22H19ClN4O2/c1-22(2,3)15-9-7-14(8-10-15)20-12-18(27-29-20)21(28)19(13-24)26-25-17-6-4-5-16(23)11-17/h4-12,25H,1-3H3/b26-19+
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n/an/a 8.60E+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))
BDBM50098792
PNG
(CHEMBL3593343)
Show SMILES CC(C)(C)c1cc(no1)C(=O)C(=N\Nc1cc(F)c(F)c(F)c1)\C#N
Show InChI InChI=1S/C16H13F3N4O2/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 8.90E+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))
BDBM50241948
PNG
(CHEMBL4067920)
Show SMILES CC(C)(C)c1ccc(cc1)-c1cc(no1)C(=O)C(=N\Nc1ccc(c(Cl)c1)C(F)(F)F)\C#N
Show InChI InChI=1S/C23H18ClF3N4O2/c1-22(2,3)14-6-4-13(5-7-14)20-11-18(31-33-20)21(32)19(12-28)30-29-15-8-9-16(17(24)10-15)23(25,26)27/h4-11,29H,1-3H3/b30-19+
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n/an/a 9.00E+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 9.10E+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))
BDBM50511917
PNG
(CHEMBL4534834)
Show SMILES Cc1ccc(c(C)c1)S(=O)(=O)NC(=O)COc1ccc2ccccc2c1
Show InChI InChI=1S/C20H19NO4S/c1-14-7-10-19(15(2)11-14)26(23,24)21-20(22)13-25-18-9-8-16-5-3-4-6-17(16)12-18/h3-12H,13H2,1-2H3,(H,21,22)
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n/an/a 9.20E+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
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 3


(Homo sapiens (Human))
BDBM50241973
PNG
(CHEMBL4086657)
Show SMILES FC(F)(F)c1cc(Cl)cc(N\N=C(/C#N)C(=O)c2cc(on2)-c2ccccc2)c1
Show InChI InChI=1S/C19H10ClF3N4O2/c20-13-6-12(19(21,22)23)7-14(8-13)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 9.50E+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))
BDBM50098748
PNG
(CHEMBL3593339)
Show SMILES CC(C)(C)c1cc(no1)C(=O)C(=N\Nc1ccc(Cl)c(c1)C(F)(F)F)\C#N
Show InChI InChI=1S/C12H20N4O7/c1-4(18)15-8-5(16-12(13)14)2-7(11(21)22)23-10(8)9(20)6(19)3-17/h2,5-6,8-10,17,19-20H,3H2,1H3,(H,15,18)(H,21,22)(H4,13,14,16)/t5-,6-,8+,9?,10?/m0/s1
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n/an/a 9.70E+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))
BDBM50241962
PNG
(CHEMBL4072161)
Show SMILES Clc1cccc(N\N=C(/C#N)C(=O)c2cc(on2)-c2ccco2)c1
Show InChI InChI=1S/C16H9ClN4O3/c17-10-3-1-4-11(7-10)19-20-13(9-18)16(22)12-8-15(24-21-12)14-5-2-6-23-14/h1-8,19H/b20-13+
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n/an/a 9.90E+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))
BDBM50241950
PNG
(CHEMBL4095327)
Show SMILES CC(C)(C)c1ccc(cc1)-c1cc(no1)C(=O)C(=N\Nc1cc(Cl)cc(c1)C(F)(F)F)\C#N
Show InChI InChI=1S/C23H18ClF3N4O2/c1-22(2,3)14-6-4-13(5-7-14)20-11-18(31-33-20)21(32)19(12-28)30-29-17-9-15(23(25,26)27)8-16(24)10-17/h4-11,29H,1-3H3/b30-19+
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n/an/a 1.02E+4n/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))
BDBM50241935
PNG
(CHEMBL4066321)
Show SMILES Fc1ccc(cc1)-c1cc(no1)C(=O)C(=N\Nc1ccc(Cl)c(c1)C(F)(F)F)\C#N
Show InChI InChI=1S/C19H9ClF4N4O2/c20-14-6-5-12(7-13(14)19(22,23)24)26-27-16(9-25)18(29)15-8-17(30-28-15)10-1-3-11(21)4-2-10/h1-8,26H/b27-16+
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n/an/a 1.02E+4n/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
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