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PubMed code 16517161

Compile data set for download or QSAR
Found 20 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
cGMP-dependent protein kinase


(Eimeria tenella)
BDBM50183915
PNG
((5-(4-fluorophenyl)-4-(pyridin-4-yl)-1H-pyrrol-2-y...)
Show SMILES CN(C)Cc1cc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C18H18FN3/c1-22(2)12-16-11-17(13-7-9-20-10-8-13)18(21-16)14-3-5-15(19)6-4-14/h3-11,21H,12H2,1-2H3
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n/an/a 0.350n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Eimeria tenella PKG


Bioorg Med Chem Lett 16: 2817-21 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.041
BindingDB Entry DOI: 10.7270/Q21V5DK1
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)
BDBM50183909
PNG
(1-(5-(4-fluorophenyl)-4-(pyridin-4-yl)-1H-pyrrol-2...)
Show SMILES CC(C)C(N(C)C)c1cc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C21H24FN3/c1-14(2)21(25(3)4)19-13-18(15-9-11-23-12-10-15)20(24-19)16-5-7-17(22)8-6-16/h5-14,21,24H,1-4H3
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n/an/a 0.710n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Eimeria tenella PKG


Bioorg Med Chem Lett 16: 2817-21 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.041
BindingDB Entry DOI: 10.7270/Q21V5DK1
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)
BDBM50183918
PNG
(4-(2-(4-fluorophenyl)-5-(1-methylpyrrolidin-2-yl)-...)
Show SMILES CN1CCCC1c1cc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C20H20FN3/c1-24-12-2-3-19(24)18-13-17(14-8-10-22-11-9-14)20(23-18)15-4-6-16(21)7-5-15/h4-11,13,19,23H,2-3,12H2,1H3
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n/an/a 1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Eimeria tenella PKG


Bioorg Med Chem Lett 16: 2817-21 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.041
BindingDB Entry DOI: 10.7270/Q21V5DK1
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)
BDBM50183907
PNG
(4-(5-(azetidin-1-ylmethyl)-2-(4-fluorophenyl)-1H-p...)
Show SMILES Fc1ccc(cc1)-c1[nH]c(CN2CCC2)cc1-c1ccncc1
Show InChI InChI=1S/C19H18FN3/c20-16-4-2-15(3-5-16)19-18(14-6-8-21-9-7-14)12-17(22-19)13-23-10-1-11-23/h2-9,12,22H,1,10-11,13H2
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n/an/a 1.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Eimeria tenella PKG


Bioorg Med Chem Lett 16: 2817-21 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.041
BindingDB Entry DOI: 10.7270/Q21V5DK1
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)
BDBM50183914
PNG
(4-(2-(4-fluorophenyl)-5-(1-(4-fluorophenylsulfonyl...)
Show SMILES Fc1ccc(cc1)-c1[nH]c(cc1-c1ccncc1)C1CCCN1S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C25H21F2N3O2S/c26-19-5-3-18(4-6-19)25-22(17-11-13-28-14-12-17)16-23(29-25)24-2-1-15-30(24)33(31,32)21-9-7-20(27)8-10-21/h3-14,16,24,29H,1-2,15H2
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n/an/a 1.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Eimeria tenella PKG


Bioorg Med Chem Lett 16: 2817-21 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.041
BindingDB Entry DOI: 10.7270/Q21V5DK1
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)
BDBM50183902
PNG
(2-(2-(5-(4-fluorophenyl)-4-(pyridin-4-yl)-1H-pyrro...)
Show SMILES OCCN1CCCC1c1cc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C21H22FN3O/c22-17-5-3-16(4-6-17)21-18(15-7-9-23-10-8-15)14-19(24-21)20-2-1-11-25(20)12-13-26/h3-10,14,20,24,26H,1-2,11-13H2
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n/an/a 2.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Eimeria tenella PKG


Bioorg Med Chem Lett 16: 2817-21 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.041
BindingDB Entry DOI: 10.7270/Q21V5DK1
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)
BDBM50183905
PNG
(2-(5-(4-fluorophenyl)-4-(pyridin-4-yl)-1H-pyrrol-2...)
Show SMILES CNC(=O)N1CCCC1c1cc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C21H21FN4O/c1-23-21(27)26-12-2-3-19(26)18-13-17(14-8-10-24-11-9-14)20(25-18)15-4-6-16(22)7-5-15/h4-11,13,19,25H,2-3,12H2,1H3,(H,23,27)
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n/an/a 2.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Eimeria tenella PKG


Bioorg Med Chem Lett 16: 2817-21 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.041
BindingDB Entry DOI: 10.7270/Q21V5DK1
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)
BDBM50183916
PNG
(2-(5-(4-fluorophenyl)-4-(pyridin-4-yl)-1H-pyrrol-2...)
Show SMILES CN(C)CCc1cc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C19H20FN3/c1-23(2)12-9-17-13-18(14-7-10-21-11-8-14)19(22-17)15-3-5-16(20)6-4-15/h3-8,10-11,13,22H,9,12H2,1-2H3
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n/an/a 2.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Eimeria tenella PKG


Bioorg Med Chem Lett 16: 2817-21 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.041
BindingDB Entry DOI: 10.7270/Q21V5DK1
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)
BDBM50183913
PNG
(4-(2-(4-fluorophenyl)-5-(1-methylpiperidin-2-yl)-1...)
Show SMILES CN1CCCCC1c1cc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C21H22FN3/c1-25-13-3-2-4-20(25)19-14-18(15-9-11-23-12-10-15)21(24-19)16-5-7-17(22)8-6-16/h5-12,14,20,24H,2-4,13H2,1H3
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n/an/a 2.70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Eimeria tenella PKG


Bioorg Med Chem Lett 16: 2817-21 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.041
BindingDB Entry DOI: 10.7270/Q21V5DK1
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)
BDBM50183912
PNG
(CHEMBL425242 | benzyl 2-(5-(4-fluorophenyl)-4-(pyr...)
Show SMILES Fc1ccc(cc1)-c1[nH]c(cc1-c1ccncc1)C1CCCN1C(=O)OCc1ccccc1
Show InChI InChI=1S/C27H24FN3O2/c28-22-10-8-21(9-11-22)26-23(20-12-14-29-15-13-20)17-24(30-26)25-7-4-16-31(25)27(32)33-18-19-5-2-1-3-6-19/h1-3,5-6,8-15,17,25,30H,4,7,16,18H2
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n/an/a 2.70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Eimeria tenella PKG


Bioorg Med Chem Lett 16: 2817-21 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.041
BindingDB Entry DOI: 10.7270/Q21V5DK1
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)
BDBM50183920
PNG
((2S)-1-(2-(5-(4-fluorophenyl)-4-(pyridin-4-yl)-1H-...)
Show SMILES C[C@H](O)CN1CCCC1c1cc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C22H24FN3O/c1-15(27)14-26-12-2-3-21(26)20-13-19(16-8-10-24-11-9-16)22(25-20)17-4-6-18(23)7-5-17/h4-11,13,15,21,25,27H,2-3,12,14H2,1H3/t15-,21?/m0/s1
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n/an/a 2.80n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Eimeria tenella PKG


Bioorg Med Chem Lett 16: 2817-21 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.041
BindingDB Entry DOI: 10.7270/Q21V5DK1
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)
BDBM50183910
PNG
(4-(2-(4-fluorophenyl)-5-(pyrrolidin-2-yl)-1H-pyrro...)
Show SMILES Fc1ccc(cc1)-c1[nH]c(cc1-c1ccncc1)C1CCCN1
Show InChI InChI=1S/C19H18FN3/c20-15-5-3-14(4-6-15)19-16(13-7-10-21-11-8-13)12-18(23-19)17-2-1-9-22-17/h3-8,10-12,17,22-23H,1-2,9H2
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n/an/a 3.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Eimeria tenella PKG


Bioorg Med Chem Lett 16: 2817-21 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.041
BindingDB Entry DOI: 10.7270/Q21V5DK1
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)
BDBM50183903
PNG
((2R)-1-(2-(5-(4-fluorophenyl)-4-(pyridin-4-yl)-1H-...)
Show SMILES C[C@@H](O)CN1CCCC1c1cc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C22H24FN3O/c1-15(27)14-26-12-2-3-21(26)20-13-19(16-8-10-24-11-9-16)22(25-20)17-4-6-18(23)7-5-17/h4-11,13,15,21,25,27H,2-3,12,14H2,1H3/t15-,21?/m1/s1
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n/an/a 3.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Eimeria tenella PKG


Bioorg Med Chem Lett 16: 2817-21 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.041
BindingDB Entry DOI: 10.7270/Q21V5DK1
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)
BDBM50183921
PNG
(4-(2-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-1H-...)
Show SMILES Fc1ccc(cc1)-c1[nH]c(CN2CCCCC2)cc1-c1ccncc1
Show InChI InChI=1S/C21H22FN3/c22-18-6-4-17(5-7-18)21-20(16-8-10-23-11-9-16)14-19(24-21)15-25-12-2-1-3-13-25/h4-11,14,24H,1-3,12-13,15H2
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n/an/a 3.70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Eimeria tenella PKG


Bioorg Med Chem Lett 16: 2817-21 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.041
BindingDB Entry DOI: 10.7270/Q21V5DK1
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)
BDBM50183911
PNG
(CHEMBL436764 | N-ethyl-3-(5-(4-fluorophenyl)-4-(py...)
Show SMILES CCN(C)CCCc1cc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C21H24FN3/c1-3-25(2)14-4-5-19-15-20(16-10-12-23-13-11-16)21(24-19)17-6-8-18(22)9-7-17/h6-13,15,24H,3-5,14H2,1-2H3
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n/an/a 4.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Eimeria tenella PKG


Bioorg Med Chem Lett 16: 2817-21 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.041
BindingDB Entry DOI: 10.7270/Q21V5DK1
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)
BDBM50183904
PNG
(2-(5-(4-fluorophenyl)-4-(pyridin-4-yl)-1H-pyrrol-2...)
Show SMILES CN(C)C(=O)Cc1cc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C19H18FN3O/c1-23(2)18(24)12-16-11-17(13-7-9-21-10-8-13)19(22-16)14-3-5-15(20)6-4-14/h3-11,22H,12H2,1-2H3
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n/an/a 4.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Eimeria tenella PKG


Bioorg Med Chem Lett 16: 2817-21 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.041
BindingDB Entry DOI: 10.7270/Q21V5DK1
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)
BDBM50183908
PNG
(4-((5-(4-fluorophenyl)-4-(pyridin-4-yl)-1H-pyrrol-...)
Show SMILES Fc1ccc(cc1)-c1[nH]c(CN2CCOCC2)cc1-c1ccncc1
Show InChI InChI=1S/C20H20FN3O/c21-17-3-1-16(2-4-17)20-19(15-5-7-22-8-6-15)13-18(23-20)14-24-9-11-25-12-10-24/h1-8,13,23H,9-12,14H2
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n/an/a 7.60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Eimeria tenella PKG


Bioorg Med Chem Lett 16: 2817-21 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.041
BindingDB Entry DOI: 10.7270/Q21V5DK1
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)
BDBM50183917
PNG
((1-((5-(4-fluorophenyl)-4-(pyridin-4-yl)-1H-pyrrol...)
Show SMILES OCC1CCN(Cc2cc(c([nH]2)-c2ccc(F)cc2)-c2ccncc2)CC1
Show InChI InChI=1S/C22H24FN3O/c23-19-3-1-18(2-4-19)22-21(17-5-9-24-10-6-17)13-20(25-22)14-26-11-7-16(15-27)8-12-26/h1-6,9-10,13,16,25,27H,7-8,11-12,14-15H2
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n/an/a 13n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Eimeria tenella PKG


Bioorg Med Chem Lett 16: 2817-21 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.041
BindingDB Entry DOI: 10.7270/Q21V5DK1
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)
BDBM50183906
PNG
(CHEMBL207256 | ethyl 5-(4-fluorophenyl)-4-(pyridin...)
Show SMILES CCOC(=O)c1cc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C18H15FN2O2/c1-2-23-18(22)16-11-15(12-7-9-20-10-8-12)17(21-16)13-3-5-14(19)6-4-13/h3-11,21H,2H2,1H3
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n/an/a 430n/an/an/an/an/an/a



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Curated by ChEMBL


Assay Description
Inhibition of Eimeria tenella PKG


Bioorg Med Chem Lett 16: 2817-21 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.041
BindingDB Entry DOI: 10.7270/Q21V5DK1
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)
BDBM50183919
PNG
(2-(5-(4-fluorophenyl)-4-(pyridin-4-yl)-1H-pyrrol-2...)
Show SMILES OC(=O)Cc1cc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C17H13FN2O2/c18-13-3-1-12(2-4-13)17-15(11-5-7-19-8-6-11)9-14(20-17)10-16(21)22/h1-9,20H,10H2,(H,21,22)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Eimeria tenella PKG


Bioorg Med Chem Lett 16: 2817-21 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.041
BindingDB Entry DOI: 10.7270/Q21V5DK1
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%