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PubMed code 22607683

Compile data set for download or QSAR
Found 19 hits of Enzyme Inhibition Constant Data   
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))
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))
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))
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))
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))
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))
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))
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 4.80E+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))
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))
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))
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))
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))
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))
BDBM50384281
PNG
(CHEMBL2030619)
Show SMILES O=C(CSc1nc(C2CCCCC2)c(C#N)c(=O)[nH]1)Nc1ccccc1
Show InChI InChI=1S/C19H20N4O2S/c20-11-15-17(13-7-3-1-4-8-13)22-19(23-18(15)25)26-12-16(24)21-14-9-5-2-6-10-14/h2,5-6,9-10,13H,1,3-4,7-8,12H2,(H,21,24)(H,22,23,25)
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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))
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
* indicates data uncertainty>20%