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Compile Data Set for Download or QSAR

Found 53 hits with Last Name = 'tsalkova' and Initial = 't'   
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


(Homo sapiens (Human))
BDBM50425531
PNG
(CHEMBL2313646)
Show SMILES Cc1cc(C)n(c1)S(=O)(=O)c1c(C)cc(C)cc1C
Show InChI InChI=1S/C15H19NO2S/c1-10-6-12(3)15(13(4)7-10)19(17,18)16-9-11(2)8-14(16)5/h6-9H,1-5H3
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n/an/a 300n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant EPAC2 (unknown origin) assessed 8-NBD-cAMP substrate fluorescence intensity by substrate competing assay


J Med Chem 56: 952-62 (2013)


Article DOI: 10.1021/jm3014162
BindingDB Entry DOI: 10.7270/Q2D21ZX3
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 4


(Homo sapiens (Human))
BDBM50425541
PNG
(CHEMBL2313637)
Show SMILES Cc1cc(C)c(Nc2cc(Cl)ccc2Cl)c(C)c1
Show InChI InChI=1S/C15H15Cl2N/c1-9-6-10(2)15(11(3)7-9)18-14-8-12(16)4-5-13(14)17/h4-8,18H,1-3H3
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n/an/a 400n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant EPAC2 (unknown origin) assessed 8-NBD-cAMP substrate fluorescence intensity by substrate competing assay


J Med Chem 56: 952-62 (2013)


Article DOI: 10.1021/jm3014162
BindingDB Entry DOI: 10.7270/Q2D21ZX3
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 4


(Homo sapiens (Human))
BDBM50425539
PNG
(CHEMBL2313639)
Show SMILES CCc1cccn1S(=O)(=O)c1c(C)cc(C)cc1C
Show InChI InChI=1S/C15H19NO2S/c1-5-14-7-6-8-16(14)19(17,18)15-12(3)9-11(2)10-13(15)4/h6-10H,5H2,1-4H3
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n/an/a 500n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant EPAC2 (unknown origin) assessed 8-NBD-cAMP substrate fluorescence intensity by substrate competing assay


J Med Chem 56: 952-62 (2013)


Article DOI: 10.1021/jm3014162
BindingDB Entry DOI: 10.7270/Q2D21ZX3
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 4


(Homo sapiens (Human))
BDBM50425555
PNG
(CHEMBL2313653)
Show SMILES Cc1ccc(cc1)S(=O)(=O)c1c(C)cc(C)cc1C
Show InChI InChI=1S/C16H18O2S/c1-11-5-7-15(8-6-11)19(17,18)16-13(3)9-12(2)10-14(16)4/h5-10H,1-4H3
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n/an/a 500n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant EPAC2 (unknown origin) assessed 8-NBD-cAMP substrate fluorescence intensity by substrate competing assay


J Med Chem 56: 952-62 (2013)


Article DOI: 10.1021/jm3014162
BindingDB Entry DOI: 10.7270/Q2D21ZX3
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 4


(Homo sapiens (Human))
BDBM50425554
PNG
(CHEMBL2313654)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)c1cc(C)c(C)cc1C
Show InChI InChI=1S/C18H22O2S/c1-11-7-15(5)18(16(6)8-11)21(19,20)17-10-13(3)12(2)9-14(17)4/h7-10H,1-6H3
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n/an/a 700n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant EPAC2 (unknown origin) assessed 8-NBD-cAMP substrate fluorescence intensity by substrate competing assay


J Med Chem 56: 952-62 (2013)


Article DOI: 10.1021/jm3014162
BindingDB Entry DOI: 10.7270/Q2D21ZX3
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 4


(Homo sapiens (Human))
BDBM50425542
PNG
(CHEMBL2313636)
Show SMILES Cc1cc(C)c(Nc2cc(Cl)cc(Cl)c2)c(C)c1
Show InChI InChI=1S/C15H15Cl2N/c1-9-4-10(2)15(11(3)5-9)18-14-7-12(16)6-13(17)8-14/h4-8,18H,1-3H3
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n/an/a 900n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant EPAC2 (unknown origin) assessed 8-NBD-cAMP substrate fluorescence intensity by substrate competing assay


J Med Chem 56: 952-62 (2013)


Article DOI: 10.1021/jm3014162
BindingDB Entry DOI: 10.7270/Q2D21ZX3
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 4


(Homo sapiens (Human))
BDBM89901
PNG
(1-(2,4,6-Trimethyl-benzenesulfonyl)-1H-indole | 1-...)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)n1ccc2ccccc12
Show InChI InChI=1S/C17H17NO2S/c1-12-10-13(2)17(14(3)11-12)21(19,20)18-9-8-15-6-4-5-7-16(15)18/h4-11H,1-3H3
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n/an/a 1.20E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant EPAC2 (unknown origin) assessed 8-NBD-cAMP substrate fluorescence intensity by substrate competing assay


J Med Chem 56: 952-62 (2013)


Article DOI: 10.1021/jm3014162
BindingDB Entry DOI: 10.7270/Q2D21ZX3
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 4


(Homo sapiens (Human))
BDBM50425532
PNG
(CHEMBL2313645)
Show SMILES CCc1cccn1S(=O)(=O)c1ccc(C)cc1C
Show InChI InChI=1S/C14H17NO2S/c1-4-13-6-5-9-15(13)18(16,17)14-8-7-11(2)10-12(14)3/h5-10H,4H2,1-3H3
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n/an/a 1.30E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant EPAC2 (unknown origin) assessed 8-NBD-cAMP substrate fluorescence intensity by substrate competing assay


J Med Chem 56: 952-62 (2013)


Article DOI: 10.1021/jm3014162
BindingDB Entry DOI: 10.7270/Q2D21ZX3
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 4


(Homo sapiens (Human))
BDBM50425550
PNG
(CHEMBL2313658)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1c(C)cc(C)cc1C
Show InChI InChI=1S/C16H18O3S/c1-11-9-12(2)16(13(3)10-11)20(17,18)15-7-5-14(19-4)6-8-15/h5-10H,1-4H3
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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 recombinant EPAC2 (unknown origin) assessed 8-NBD-cAMP substrate fluorescence intensity by substrate competing assay


J Med Chem 56: 952-62 (2013)


Article DOI: 10.1021/jm3014162
BindingDB Entry DOI: 10.7270/Q2D21ZX3
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 4


(Homo sapiens (Human))
BDBM50425525
PNG
(CHEMBL2313652)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)n1ccc2cccnc12
Show InChI InChI=1S/C16H16N2O2S/c1-11-9-12(2)15(13(3)10-11)21(19,20)18-8-6-14-5-4-7-17-16(14)18/h4-10H,1-3H3
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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 EPAC2 (unknown origin) assessed 8-NBD-cAMP substrate fluorescence intensity by substrate competing assay


J Med Chem 56: 952-62 (2013)


Article DOI: 10.1021/jm3014162
BindingDB Entry DOI: 10.7270/Q2D21ZX3
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 4


(Homo sapiens (Human))
BDBM50425543
PNG
(CHEMBL2313635)
Show SMILES Cc1ccc(Nc2c(C)cc(C)cc2C)cc1
Show InChI InChI=1S/C16H19N/c1-11-5-7-15(8-6-11)17-16-13(3)9-12(2)10-14(16)4/h5-10,17H,1-4H3
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n/an/a 3.80E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant EPAC2 (unknown origin) assessed 8-NBD-cAMP substrate fluorescence intensity by substrate competing assay


J Med Chem 56: 952-62 (2013)


Article DOI: 10.1021/jm3014162
BindingDB Entry DOI: 10.7270/Q2D21ZX3
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 4


(Homo sapiens (Human))
BDBM50425528
PNG
(CHEMBL2313649)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)n1ccc2ncccc12
Show InChI InChI=1S/C16H16N2O2S/c1-11-9-12(2)16(13(3)10-11)21(19,20)18-8-6-14-15(18)5-4-7-17-14/h4-10H,1-3H3
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n/an/a 3.80E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant EPAC2 (unknown origin) assessed 8-NBD-cAMP substrate fluorescence intensity by substrate competing assay


J Med Chem 56: 952-62 (2013)


Article DOI: 10.1021/jm3014162
BindingDB Entry DOI: 10.7270/Q2D21ZX3
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 4


(Homo sapiens (Human))
BDBM50384273
PNG
(CHEMBL2030612)
Show SMILES Cc1ccc(C)c(CSc2nc(C3CC3)c(C#N)c(=O)[nH]2)c1
Show InChI InChI=1S/C17H17N3OS/c1-10-3-4-11(2)13(7-10)9-22-17-19-15(12-5-6-12)14(8-18)16(21)20-17/h3-4,7,12H,5-6,9H2,1-2H3,(H,19,20,21)
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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
Competitive inhibition of Epac2 using fluorescent nucleotide analog 8-NBD-cAMP by fluorescence analysis


Bioorg Med Chem Lett 22: 4038-43 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.082
BindingDB Entry DOI: 10.7270/Q2H70GVP
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 4


(Homo sapiens (Human))
BDBM50425538
PNG
(CHEMBL2313640)
Show SMILES CCc1cccn1S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C13H15NO2S/c1-3-12-5-4-10-14(12)17(15,16)13-8-6-11(2)7-9-13/h4-10H,3H2,1-2H3
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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 recombinant EPAC2 (unknown origin) assessed 8-NBD-cAMP substrate fluorescence intensity by substrate competing assay


J Med Chem 56: 952-62 (2013)


Article DOI: 10.1021/jm3014162
BindingDB Entry DOI: 10.7270/Q2D21ZX3
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 4


(Homo sapiens (Human))
BDBM50425551
PNG
(CHEMBL2313657)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)c1ccc(I)cc1
Show InChI InChI=1S/C15H15IO2S/c1-10-8-11(2)15(12(3)9-10)19(17,18)14-6-4-13(16)5-7-14/h4-9H,1-3H3
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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 recombinant EPAC2 (unknown origin) assessed 8-NBD-cAMP substrate fluorescence intensity by substrate competing assay


J Med Chem 56: 952-62 (2013)


Article DOI: 10.1021/jm3014162
BindingDB Entry DOI: 10.7270/Q2D21ZX3
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 4


(Homo sapiens (Human))
BDBM50425533
PNG
(CHEMBL2313644)
Show SMILES CCc1cccn1S(=O)(=O)c1cc(C)cc(C)c1
Show InChI InChI=1S/C14H17NO2S/c1-4-13-6-5-7-15(13)18(16,17)14-9-11(2)8-12(3)10-14/h5-10H,4H2,1-3H3
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n/an/a 4.70E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant EPAC2 (unknown origin) assessed 8-NBD-cAMP substrate fluorescence intensity by substrate competing assay


J Med Chem 56: 952-62 (2013)


Article DOI: 10.1021/jm3014162
BindingDB Entry DOI: 10.7270/Q2D21ZX3
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 4


(Homo sapiens (Human))
BDBM50425534
PNG
(CHEMBL2313643)
Show SMILES CCc1cccn1S(=O)(=O)c1ccccc1C
Show InChI InChI=1S/C13H15NO2S/c1-3-12-8-6-10-14(12)17(15,16)13-9-5-4-7-11(13)2/h4-10H,3H2,1-2H3
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n/an/a 5.30E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant EPAC2 (unknown origin) assessed 8-NBD-cAMP substrate fluorescence intensity by substrate competing assay


J Med Chem 56: 952-62 (2013)


Article DOI: 10.1021/jm3014162
BindingDB Entry DOI: 10.7270/Q2D21ZX3
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 4


(Homo sapiens (Human))
BDBM50384274
PNG
(CHEMBL2030613)
Show SMILES Cc1ccc(C)c(CSc2nc(C3CCCC3)c(C#N)c(=O)[nH]2)c1
Show InChI InChI=1S/C19H21N3OS/c1-12-7-8-13(2)15(9-12)11-24-19-21-17(14-5-3-4-6-14)16(10-20)18(23)22-19/h7-9,14H,3-6,11H2,1-2H3,(H,21,22,23)
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n/an/a 5.90E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Competitive inhibition of Epac2 using fluorescent nucleotide analog 8-NBD-cAMP by fluorescence analysis


Bioorg Med Chem Lett 22: 4038-43 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.082
BindingDB Entry DOI: 10.7270/Q2H70GVP
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 4


(Homo sapiens (Human))
BDBM50384268
PNG
(CHEMBL2030607)
Show SMILES Cc1cc(C)cc(CSc2nc(C3CCCCC3)c(C#N)c(=O)[nH]2)c1
Show InChI InChI=1S/C20H23N3OS/c1-13-8-14(2)10-15(9-13)12-25-20-22-18(16-6-4-3-5-7-16)17(11-21)19(24)23-20/h8-10,16H,3-7,12H2,1-2H3,(H,22,23,24)
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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
Competitive inhibition of Epac2 using fluorescent nucleotide analog 8-NBD-cAMP by fluorescence analysis


Bioorg Med Chem Lett 22: 4038-43 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.082
BindingDB Entry DOI: 10.7270/Q2H70GVP
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 4


(Homo sapiens (Human))
BDBM50425537
PNG
(CHEMBL2313641)
Show SMILES CCc1cccn1S(=O)(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C13H15NO3S/c1-3-11-5-4-10-14(11)18(15,16)13-8-6-12(17-2)7-9-13/h4-10H,3H2,1-2H3
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n/an/a 8.00E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant EPAC2 (unknown origin) assessed 8-NBD-cAMP substrate fluorescence intensity by substrate competing assay


J Med Chem 56: 952-62 (2013)


Article DOI: 10.1021/jm3014162
BindingDB Entry DOI: 10.7270/Q2D21ZX3
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 4


(Homo sapiens (Human))
BDBM50425536
PNG
(CHEMBL2311560)
Show SMILES CCc1cccn1S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C12H12ClNO2S/c1-2-11-4-3-9-14(11)17(15,16)12-7-5-10(13)6-8-12/h3-9H,2H2,1H3
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n/an/a 8.00E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant EPAC2 (unknown origin) assessed 8-NBD-cAMP substrate fluorescence intensity by substrate competing assay


J Med Chem 56: 952-62 (2013)


Article DOI: 10.1021/jm3014162
BindingDB Entry DOI: 10.7270/Q2D21ZX3
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 4


(Homo sapiens (Human))
BDBM50384265
PNG
(CHEMBL2030452)
Show SMILES Cc1ccc(C)c(CSc2nc(C3CCCCC3)c(C#N)c(=O)[nH]2)c1
Show InChI InChI=1S/C20H23N3OS/c1-13-8-9-14(2)16(10-13)12-25-20-22-18(15-6-4-3-5-7-15)17(11-21)19(24)23-20/h8-10,15H,3-7,12H2,1-2H3,(H,22,23,24)
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n/an/a 8.40E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Competitive inhibition of Epac2 using fluorescent nucleotide analog 8-NBD-cAMP by fluorescence analysis


Bioorg Med Chem Lett 22: 4038-43 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.082
BindingDB Entry DOI: 10.7270/Q2H70GVP
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 4


(Homo sapiens (Human))
BDBM50425527
PNG
(CHEMBL2313650)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)n1ccc2cnccc12
Show InChI InChI=1S/C16H16N2O2S/c1-11-8-12(2)16(13(3)9-11)21(19,20)18-7-5-14-10-17-6-4-15(14)18/h4-10H,1-3H3
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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 recombinant EPAC2 (unknown origin) assessed 8-NBD-cAMP substrate fluorescence intensity by substrate competing assay


J Med Chem 56: 952-62 (2013)


Article DOI: 10.1021/jm3014162
BindingDB Entry DOI: 10.7270/Q2D21ZX3
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 4


(Homo sapiens (Human))
BDBM50425529
PNG
(CHEMBL2313648)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)n1ccc2cc(ccc12)C(O)=O
Show InChI InChI=1S/C18H17NO4S/c1-11-8-12(2)17(13(3)9-11)24(22,23)19-7-6-14-10-15(18(20)21)4-5-16(14)19/h4-10H,1-3H3,(H,20,21)
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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 EPAC2 (unknown origin) assessed 8-NBD-cAMP substrate fluorescence intensity by substrate competing assay


J Med Chem 56: 952-62 (2013)


Article DOI: 10.1021/jm3014162
BindingDB Entry DOI: 10.7270/Q2D21ZX3
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 4


(Homo sapiens (Human))
BDBM50384271
PNG
(CHEMBL2030610)
Show SMILES Cc1cc(C)c(CSc2nc(C3CCCCC3)c(C#N)c(=O)[nH]2)c(C)c1
Show InChI InChI=1S/C21H25N3OS/c1-13-9-14(2)18(15(3)10-13)12-26-21-23-19(16-7-5-4-6-8-16)17(11-22)20(25)24-21/h9-10,16H,4-8,12H2,1-3H3,(H,23,24,25)
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n/an/a 1.16E+4n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Competitive inhibition of Epac2 using fluorescent nucleotide analog 8-NBD-cAMP by fluorescence analysis


Bioorg Med Chem Lett 22: 4038-43 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.082
BindingDB Entry DOI: 10.7270/Q2H70GVP
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 4


(Homo sapiens (Human))
BDBM50425526
PNG
(CHEMBL2313651)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)n1ccc2ccncc12
Show InChI InChI=1S/C16H16N2O2S/c1-11-8-12(2)16(13(3)9-11)21(19,20)18-7-5-14-4-6-17-10-15(14)18/h4-10H,1-3H3
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n/an/a 1.26E+4n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant EPAC2 (unknown origin) assessed 8-NBD-cAMP substrate fluorescence intensity by substrate competing assay


J Med Chem 56: 952-62 (2013)


Article DOI: 10.1021/jm3014162
BindingDB Entry DOI: 10.7270/Q2D21ZX3
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 4


(Homo sapiens (Human))
BDBM50384272
PNG
(CHEMBL2030611)
Show SMILES CC(C)c1nc(SCc2cc(C)ccc2C)[nH]c(=O)c1C#N
Show InChI InChI=1S/C17H19N3OS/c1-10(2)15-14(8-18)16(21)20-17(19-15)22-9-13-7-11(3)5-6-12(13)4/h5-7,10H,9H2,1-4H3,(H,19,20,21)
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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
Competitive inhibition of Epac2 using fluorescent nucleotide analog 8-NBD-cAMP by fluorescence analysis


Bioorg Med Chem Lett 22: 4038-43 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.082
BindingDB Entry DOI: 10.7270/Q2H70GVP
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 4


(Homo sapiens (Human))
BDBM50425548
PNG
(4-(2,4,6-Trimethylbenzenesulfonyl)Phenol | CHEMBL2...)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)c1ccc(O)cc1
Show InChI InChI=1S/C15H16O3S/c1-10-8-11(2)15(12(3)9-10)19(17,18)14-6-4-13(16)5-7-14/h4-9,16H,1-3H3
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n/an/a 1.35E+4n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant EPAC2 (unknown origin) assessed 8-NBD-cAMP substrate fluorescence intensity by substrate competing assay


J Med Chem 56: 952-62 (2013)


Article DOI: 10.1021/jm3014162
BindingDB Entry DOI: 10.7270/Q2D21ZX3
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 4


(Homo sapiens (Human))
BDBM50384269
PNG
(CHEMBL2030608)
Show SMILES Cc1ccc(CSc2nc(C3CCCCC3)c(C#N)c(=O)[nH]2)c(C)c1
Show InChI InChI=1S/C20H23N3OS/c1-13-8-9-16(14(2)10-13)12-25-20-22-18(15-6-4-3-5-7-15)17(11-21)19(24)23-20/h8-10,15H,3-7,12H2,1-2H3,(H,22,23,24)
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n/an/a 1.57E+4n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Competitive inhibition of Epac2 using fluorescent nucleotide analog 8-NBD-cAMP by fluorescence analysis


Bioorg Med Chem Lett 22: 4038-43 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.082
BindingDB Entry DOI: 10.7270/Q2H70GVP
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 4


(Homo sapiens (Human))
BDBM50294336
PNG
(5-amino-2-(4-aminophenylamino)benzenesulfonic acid...)
Show SMILES Nc1ccc(Nc2ccc(N)cc2S(O)(=O)=O)cc1
Show InChI InChI=1S/C12H13N3O3S/c13-8-1-4-10(5-2-8)15-11-6-3-9(14)7-12(11)19(16,17)18/h1-7,15H,13-14H2,(H,16,17,18)
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n/an/a 1.80E+4n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant EPAC2 (unknown origin) assessed 8-NBD-cAMP substrate fluorescence intensity by substrate competing assay


J Med Chem 56: 952-62 (2013)


Article DOI: 10.1021/jm3014162
BindingDB Entry DOI: 10.7270/Q2D21ZX3
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 4


(Homo sapiens (Human))
BDBM50384270
PNG
(CHEMBL2030609)
Show SMILES O=c1[nH]c(SCc2ccccc2)nc(C2CCCCC2)c1C#N
Show InChI InChI=1S/C18H19N3OS/c19-11-15-16(14-9-5-2-6-10-14)20-18(21-17(15)22)23-12-13-7-3-1-4-8-13/h1,3-4,7-8,14H,2,5-6,9-10,12H2,(H,20,21,22)
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n/an/a 3.05E+4n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Competitive inhibition of Epac2 using fluorescent nucleotide analog 8-NBD-cAMP by fluorescence analysis


Bioorg Med Chem Lett 22: 4038-43 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.082
BindingDB Entry DOI: 10.7270/Q2H70GVP
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 4


(Homo sapiens (Human))
BDBM50384267
PNG
(CHEMBL2030606)
Show SMILES Cc1ccc(CSc2nc(C3CCCCC3)c(C#N)c(=O)[nH]2)cc1
Show InChI InChI=1S/C19H21N3OS/c1-13-7-9-14(10-8-13)12-24-19-21-17(15-5-3-2-4-6-15)16(11-20)18(23)22-19/h7-10,15H,2-6,12H2,1H3,(H,21,22,23)
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n/an/a 3.87E+4n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Competitive inhibition of Epac2 using fluorescent nucleotide analog 8-NBD-cAMP by fluorescence analysis


Bioorg Med Chem Lett 22: 4038-43 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.082
BindingDB Entry DOI: 10.7270/Q2H70GVP
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 4


(Homo sapiens (Human))
BDBM50384264
PNG
(CHEMBL316966)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]2CO[P@](O)(=O)O[C@H]2[C@H]1O |r|
Show InChI InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
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n/an/a 4.00E+4n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant EPAC2 (unknown origin) assessed 8-NBD-cAMP substrate fluorescence intensity by substrate competing assay


J Med Chem 56: 952-62 (2013)


Article DOI: 10.1021/jm3014162
BindingDB Entry DOI: 10.7270/Q2D21ZX3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Rap guanine nucleotide exchange factor 4


(Homo sapiens (Human))
BDBM50384264
PNG
(CHEMBL316966)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]2CO[P@](O)(=O)O[C@H]2[C@H]1O |r|
Show InChI InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
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n/an/a 4.80E+4n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Competitive inhibition of Epac2 using fluorescent nucleotide analog 8-NBD-cAMP by fluorescence analysis


Bioorg Med Chem Lett 22: 4038-43 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.082
BindingDB Entry DOI: 10.7270/Q2H70GVP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Rap guanine nucleotide exchange factor 4


(Homo sapiens (Human))
BDBM50384275
PNG
(CHEMBL2030614)
Show SMILES CN1CCC(CC1)c1nc(SCc2cc(C)ccc2C)[nH]c(=O)c1C#N
Show InChI InChI=1S/C20H24N4OS/c1-13-4-5-14(2)16(10-13)12-26-20-22-18(17(11-21)19(25)23-20)15-6-8-24(3)9-7-15/h4-5,10,15H,6-9,12H2,1-3H3,(H,22,23,25)
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n/an/a 1.27E+5n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Competitive inhibition of Epac2 using fluorescent nucleotide analog 8-NBD-cAMP by fluorescence analysis


Bioorg Med Chem Lett 22: 4038-43 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.082
BindingDB Entry DOI: 10.7270/Q2H70GVP
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 4


(Homo sapiens (Human))
BDBM50425540
PNG
(CHEMBL2313638)
Show SMILES Cc1nc(Nc2c(C)cc(C)cc2C)sc1C
Show InChI InChI=1S/C14H18N2S/c1-8-6-9(2)13(10(3)7-8)16-14-15-11(4)12(5)17-14/h6-7H,1-5H3,(H,15,16)
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n/an/a>3.00E+5n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant EPAC2 (unknown origin) assessed 8-NBD-cAMP substrate fluorescence intensity by substrate competing assay


J Med Chem 56: 952-62 (2013)


Article DOI: 10.1021/jm3014162
BindingDB Entry DOI: 10.7270/Q2D21ZX3
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 4


(Homo sapiens (Human))
BDBM50384277
PNG
(CHEMBL2030616)
Show SMILES O=c1[nH]c(Nc2ccccc2)nc(C2CCCCC2)c1C#N
Show InChI InChI=1S/C17H18N4O/c18-11-14-15(12-7-3-1-4-8-12)20-17(21-16(14)22)19-13-9-5-2-6-10-13/h2,5-6,9-10,12H,1,3-4,7-8H2,(H2,19,20,21,22)
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n/an/a>3.00E+5n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Competitive inhibition of Epac2 using fluorescent nucleotide analog 8-NBD-cAMP by fluorescence analysis


Bioorg Med Chem Lett 22: 4038-43 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.082
BindingDB Entry DOI: 10.7270/Q2H70GVP
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 4


(Homo sapiens (Human))
BDBM50384276
PNG
(CHEMBL2030615)
Show SMILES Cc1ccc(C)c(CSc2nc(C3CCNCC3)c(C#N)c(=O)[nH]2)c1
Show InChI InChI=1S/C19H22N4OS/c1-12-3-4-13(2)15(9-12)11-25-19-22-17(14-5-7-21-8-6-14)16(10-20)18(24)23-19/h3-4,9,14,21H,5-8,11H2,1-2H3,(H,22,23,24)
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n/an/a>3.00E+5n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Competitive inhibition of Epac2 using fluorescent nucleotide analog 8-NBD-cAMP by fluorescence analysis


Bioorg Med Chem Lett 22: 4038-43 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.082
BindingDB Entry DOI: 10.7270/Q2H70GVP
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 4


(Homo sapiens (Human))
BDBM50425544
PNG
(CHEMBL2313634)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)c1ccc(OCCN)cc1
Show InChI InChI=1S/C17H21NO3S/c1-12-10-13(2)17(14(3)11-12)22(19,20)16-6-4-15(5-7-16)21-9-8-18/h4-7,10-11H,8-9,18H2,1-3H3
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n/an/a>3.00E+5n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant EPAC2 (unknown origin) assessed 8-NBD-cAMP substrate fluorescence intensity by substrate competing assay


J Med Chem 56: 952-62 (2013)


Article DOI: 10.1021/jm3014162
BindingDB Entry DOI: 10.7270/Q2D21ZX3
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 4


(Homo sapiens (Human))
BDBM50425545
PNG
(CHEMBL2313633)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)c1ccc(OC2CCNCC2)cc1
Show InChI InChI=1S/C20H25NO3S/c1-14-12-15(2)20(16(3)13-14)25(22,23)19-6-4-17(5-7-19)24-18-8-10-21-11-9-18/h4-7,12-13,18,21H,8-11H2,1-3H3
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n/an/a>3.00E+5n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant EPAC2 (unknown origin) assessed 8-NBD-cAMP substrate fluorescence intensity by substrate competing assay


J Med Chem 56: 952-62 (2013)


Article DOI: 10.1021/jm3014162
BindingDB Entry DOI: 10.7270/Q2D21ZX3
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 4


(Homo sapiens (Human))
BDBM50425546
PNG
(CHEMBL2313662)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)c1ccc(OC2CCN(CC2)C(=O)OC(C)(C)C)cc1
Show InChI InChI=1S/C25H33NO5S/c1-17-15-18(2)23(19(3)16-17)32(28,29)22-9-7-20(8-10-22)30-21-11-13-26(14-12-21)24(27)31-25(4,5)6/h7-10,15-16,21H,11-14H2,1-6H3
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n/an/a>3.00E+5n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant EPAC2 (unknown origin) assessed 8-NBD-cAMP substrate fluorescence intensity by substrate competing assay


J Med Chem 56: 952-62 (2013)


Article DOI: 10.1021/jm3014162
BindingDB Entry DOI: 10.7270/Q2D21ZX3
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 4


(Homo sapiens (Human))
BDBM50425547
PNG
(CHEMBL2313661)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)c1ccc(OC2CCCCC2)cc1
Show InChI InChI=1S/C21H26O3S/c1-15-13-16(2)21(17(3)14-15)25(22,23)20-11-9-19(10-12-20)24-18-7-5-4-6-8-18/h9-14,18H,4-8H2,1-3H3
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n/an/a>3.00E+5n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant EPAC2 (unknown origin) assessed 8-NBD-cAMP substrate fluorescence intensity by substrate competing assay


J Med Chem 56: 952-62 (2013)


Article DOI: 10.1021/jm3014162
BindingDB Entry DOI: 10.7270/Q2D21ZX3
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 4


(Homo sapiens (Human))
BDBM50425549
PNG
(CHEMBL2313659)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)c1ccc(cc1)-c1ccc(F)nc1
Show InChI InChI=1S/C20H18FNO2S/c1-13-10-14(2)20(15(3)11-13)25(23,24)18-7-4-16(5-8-18)17-6-9-19(21)22-12-17/h4-12H,1-3H3
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n/an/a>3.00E+5n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant EPAC2 (unknown origin) assessed 8-NBD-cAMP substrate fluorescence intensity by substrate competing assay


J Med Chem 56: 952-62 (2013)


Article DOI: 10.1021/jm3014162
BindingDB Entry DOI: 10.7270/Q2D21ZX3
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 4


(Homo sapiens (Human))
BDBM50384266
PNG
(CHEMBL2030605)
Show SMILES O=c1[nH]c(=S)[nH]c(C2CCCCC2)c1C#N
Show InChI InChI=1S/C11H13N3OS/c12-6-8-9(7-4-2-1-3-5-7)13-11(16)14-10(8)15/h7H,1-5H2,(H2,13,14,15,16)
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n/an/a>3.00E+5n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Competitive inhibition of Epac2 using fluorescent nucleotide analog 8-NBD-cAMP by fluorescence analysis


Bioorg Med Chem Lett 22: 4038-43 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.082
BindingDB Entry DOI: 10.7270/Q2H70GVP
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 4


(Homo sapiens (Human))
BDBM50425552
PNG
(CHEMBL2313656)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)c1ccc(cc1)C1CCCCC1
Show InChI InChI=1S/C21H26O2S/c1-15-13-16(2)21(17(3)14-15)24(22,23)20-11-9-19(10-12-20)18-7-5-4-6-8-18/h9-14,18H,4-8H2,1-3H3
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n/an/a>3.00E+5n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant EPAC2 (unknown origin) assessed 8-NBD-cAMP substrate fluorescence intensity by substrate competing assay


J Med Chem 56: 952-62 (2013)


Article DOI: 10.1021/jm3014162
BindingDB Entry DOI: 10.7270/Q2D21ZX3
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 4


(Homo sapiens (Human))
BDBM50425553
PNG
(CHEMBL2313655)
Show SMILES CCCCCc1ccc(cc1)S(=O)(=O)c1c(C)cc(C)cc1C
Show InChI InChI=1S/C20H26O2S/c1-5-6-7-8-18-9-11-19(12-10-18)23(21,22)20-16(3)13-15(2)14-17(20)4/h9-14H,5-8H2,1-4H3
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n/an/a>3.00E+5n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant EPAC2 (unknown origin) assessed 8-NBD-cAMP substrate fluorescence intensity by substrate competing assay


J Med Chem 56: 952-62 (2013)


Article DOI: 10.1021/jm3014162
BindingDB Entry DOI: 10.7270/Q2D21ZX3
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 4


(Homo sapiens (Human))
BDBM50384263
PNG
(CHEMBL2030618)
Show SMILES OC(=O)CSc1nc(C2CCCCC2)c(C#N)c(=O)[nH]1
Show InChI InChI=1S/C13H15N3O3S/c14-6-9-11(8-4-2-1-3-5-8)15-13(16-12(9)19)20-7-10(17)18/h8H,1-5,7H2,(H,17,18)(H,15,16,19)
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n/an/a>3.00E+5n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Competitive inhibition of Epac2 using fluorescent nucleotide analog 8-NBD-cAMP by fluorescence analysis


Bioorg Med Chem Lett 22: 4038-43 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.082
BindingDB Entry DOI: 10.7270/Q2H70GVP
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 4


(Homo sapiens (Human))
BDBM50384278
PNG
(CHEMBL2030617)
Show SMILES Clc1ccc(Nc2nc(C3CCCCC3)c(C#N)c(=O)[nH]2)cc1
Show InChI InChI=1S/C17H17ClN4O/c18-12-6-8-13(9-7-12)20-17-21-15(11-4-2-1-3-5-11)14(10-19)16(23)22-17/h6-9,11H,1-5H2,(H2,20,21,22,23)
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n/an/a>3.00E+5n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Competitive inhibition of Epac2 using fluorescent nucleotide analog 8-NBD-cAMP by fluorescence analysis


Bioorg Med Chem Lett 22: 4038-43 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.082
BindingDB Entry DOI: 10.7270/Q2H70GVP
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 4


(Homo sapiens (Human))
BDBM50384279
PNG
(CHEMBL2030620)
Show SMILES Cc1cc(C)c(NC(=O)CSc2nc(C3CCCCC3)c(C#N)c(=O)[nH]2)c(C)c1
Show InChI InChI=1S/C22H26N4O2S/c1-13-9-14(2)19(15(3)10-13)24-18(27)12-29-22-25-20(16-7-5-4-6-8-16)17(11-23)21(28)26-22/h9-10,16H,4-8,12H2,1-3H3,(H,24,27)(H,25,26,28)
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n/an/a>3.00E+5n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Competitive inhibition of Epac2 using fluorescent nucleotide analog 8-NBD-cAMP by fluorescence analysis


Bioorg Med Chem Lett 22: 4038-43 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.082
BindingDB Entry DOI: 10.7270/Q2H70GVP
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 4


(Homo sapiens (Human))
BDBM50384280
PNG
(CHEMBL2030621)
Show SMILES Cc1ccc(NC(=O)CSc2nc(C3CCCCC3)c(C#N)c(=O)[nH]2)cc1
Show InChI InChI=1S/C20H22N4O2S/c1-13-7-9-15(10-8-13)22-17(25)12-27-20-23-18(14-5-3-2-4-6-14)16(11-21)19(26)24-20/h7-10,14H,2-6,12H2,1H3,(H,22,25)(H,23,24,26)
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n/an/a>3.00E+5n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Competitive inhibition of Epac2 using fluorescent nucleotide analog 8-NBD-cAMP by fluorescence analysis


Bioorg Med Chem Lett 22: 4038-43 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.082
BindingDB Entry DOI: 10.7270/Q2H70GVP
More data for this
Ligand-Target Pair
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