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Compile Data Set for Download or QSAR

Found 42 hits Enz. Inhib. hit(s) with all data for entry = 50000170   
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 4


(Mus musculus)
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 1.90E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Antagonist activity at mouse EPAC2 assessed as inhibition of EPAC2-mediated Rap1B (1 to 167 residues)-BODIPY GDP nucleotide exchange activity by 8-NB...


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 4


(Mus musculus)
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 2.20E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Antagonist activity at mouse EPAC2 assessed as inhibition of EPAC2-mediated Rap1B (1 to 167 residues)-BODIPY GDP nucleotide exchange activity by 8-NB...


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 4


(Mus musculus)
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 2.20E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Antagonist activity at mouse EPAC2 assessed as inhibition of EPAC2-mediated Rap1B (1 to 167 residues)-BODIPY GDP nucleotide exchange activity by 8-NB...


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 4


(Mus musculus)
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 2.20E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Antagonist activity at mouse EPAC2 assessed as inhibition of EPAC2-mediated Rap1B (1 to 167 residues)-BODIPY GDP nucleotide exchange activity by 8-NB...


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 4


(Mus musculus)
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 2.20E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Antagonist activity at mouse EPAC2 assessed as inhibition of EPAC2-mediated Rap1B (1 to 167 residues)-BODIPY GDP nucleotide exchange activity by 8-NB...


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 4


(Mus musculus)
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 2.30E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Antagonist activity at mouse EPAC2 assessed as inhibition of EPAC2-mediated Rap1B (1 to 167 residues)-BODIPY GDP nucleotide exchange activity by 8-NB...


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 4


(Mus musculus)
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 2.30E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
In vito concentration required to displace [3H]-DADLE (Kd = 12.2 nM and concentration is 2.1 nM) from low affinity delta-site 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))
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 2.70E+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 4


(Mus musculus)
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 3.30E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Antagonist activity at mouse EPAC2 assessed as inhibition of EPAC2-mediated Rap1B (1 to 167 residues)-BODIPY GDP nucleotide exchange activity by 8-NB...


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))
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))
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 4


(Mus musculus)
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 4.40E+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 4


(Mus musculus)
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 4.50E+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))
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))
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))
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))
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 4


(Mus musculus)
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 7.00E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Antagonist activity at mouse EPAC2 assessed as inhibition of EPAC2-mediated Rap1B (1 to 167 residues)-BODIPY GDP nucleotide exchange activity by 8-NB...


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))
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))
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))
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))
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
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 1.08E+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))
BDBM50241963
PNG
(CHEMBL4085177)
Show SMILES COc1ccc(cc1)-c1cc(no1)C(=O)C(=N\Nc1cccc(Cl)c1)\C#N
Show InChI InChI=1S/C19H13ClN4O3/c1-26-15-7-5-12(6-8-15)18-10-16(24-27-18)19(25)17(11-21)23-22-14-4-2-3-13(20)9-14/h2-10,22H,1H3/b23-17+
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n/an/a 1.14E+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))
BDBM50241971
PNG
(CHEMBL4101618)
Show SMILES FC(F)(F)c1cc(N\N=C(/C#N)C(=O)c2cc(on2)-c2ccc(Cl)cc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C20H9ClF6N4O2/c21-13-3-1-10(2-4-13)17-8-15(31-33-17)18(32)16(9-28)30-29-14-6-11(19(22,23)24)5-12(7-14)20(25,26)27/h1-8,29H/b30-16+
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n/an/a 1.14E+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))
BDBM50241947
PNG
(CHEMBL4105509)
Show SMILES CC(C)(C)c1ccc(cc1)-c1cc(no1)C(=O)C(=N\Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)\C#N
Show InChI InChI=1S/C24H18F6N4O2/c1-22(2,3)14-6-4-13(5-7-14)20-11-18(34-36-20)21(35)19(12-31)33-32-17-9-15(23(25,26)27)8-16(10-17)24(28,29)30/h4-11,32H,1-3H3/b33-19+
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n/an/a 1.19E+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))
BDBM50241972
PNG
(CHEMBL4102135)
Show SMILES Fc1ccc(cc1)-c1cc(no1)C(=O)C(=N\Nc1cc(Cl)cc(c1)C(F)(F)F)\C#N
Show InChI InChI=1S/C19H9ClF4N4O2/c20-12-5-11(19(22,23)24)6-14(7-12)26-27-16(9-25)18(29)15-8-17(30-28-15)10-1-3-13(21)4-2-10/h1-8,26H/b27-16+
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n/an/a 1.27E+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))
BDBM50241968
PNG
(CHEMBL4069895)
Show SMILES Fc1cc(N\N=C(/C#N)C(=O)c2noc3ccccc23)cc(F)c1F
Show InChI InChI=1S/C16H7F3N4O2/c17-10-5-8(6-11(18)14(10)19)21-22-12(7-20)16(24)15-9-3-1-2-4-13(9)25-23-15/h1-6,21H/b22-12+
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n/an/a 1.31E+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))
BDBM50241970
PNG
(CHEMBL4070928)
Show SMILES Clc1cccc(N\N=C(/C#N)C(=O)c2noc3ccccc23)c1
Show InChI InChI=1S/C16H9ClN4O2/c17-10-4-3-5-11(8-10)19-20-13(9-18)16(22)15-12-6-1-2-7-14(12)23-21-15/h1-8,19H/b20-13+
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n/an/a 1.32E+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))
BDBM50241969
PNG
(CHEMBL4089389)
Show SMILES Fc1cc(Cl)cc(N\N=C(/C#N)C(=O)c2noc3ccccc23)c1
Show InChI InChI=1S/C16H8ClFN4O2/c17-9-5-10(18)7-11(6-9)20-21-13(8-19)16(23)15-12-3-1-2-4-14(12)24-22-15/h1-7,20H/b21-13+
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n/an/a 1.89E+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))
BDBM50241936
PNG
(CHEMBL4084165)
Show SMILES Fc1ccc(cc1)-c1cc(no1)C(=O)C(=N\Nc1cccc(Cl)c1)\C#N
Show InChI InChI=1S/C18H10ClFN4O2/c19-12-2-1-3-14(8-12)22-23-16(10-21)18(25)15-9-17(26-24-15)11-4-6-13(20)7-5-11/h1-9,22H/b23-16+
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n/an/a 3.86E+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))
BDBM50241965
PNG
(CHEMBL4093887)
Show SMILES Clc1ccc(cc1)-c1cc(no1)C(=O)C(=N\Nc1cccc(Cl)c1)\C#N
Show InChI InChI=1S/C18H10Cl2N4O2/c19-12-6-4-11(5-7-12)17-9-15(24-26-17)18(25)16(10-21)23-22-14-3-1-2-13(20)8-14/h1-9,22H/b23-16+
PDB

KEGG

UniProtKB/SwissProt

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 7.76E+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))
BDBM50241942
PNG
(CHEMBL3593466)
Show SMILES Clc1cccc(N\N=C(/C#N)C(=O)c2cc(on2)-c2ccccc2)c1
Show InChI InChI=1S/C18H11ClN4O2/c19-13-7-4-8-14(9-13)21-22-16(11-20)18(24)15-10-17(25-23-15)12-5-2-1-3-6-12/h1-10,21H/b22-16+
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.50E+5n/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