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Compile Data Set for Download or QSAR

Found 503 hits with Last Name = 'schmatz' and Initial = 'dm'   
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
Histone deacetylase


(Cryptosporidium parvum)		BDBM50238632
PNG
((6S,9S,12S,14aR)-6-((S)-sec-Butyl)-9-(1-methoxy-1H...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O |r|
Show InChI InChI=1S/C34H49N5O6/c1-5-22(3)30-34(44)38-19-13-12-18-29(38)33(43)35-26(16-9-7-8-14-24(40)6-2)31(41)36-27(32(42)37-30)20-23-21-39(45-4)28-17-11-10-15-25(23)28/h10-11,15,17,21-22,26-27,29-30H,5-9,12-14,16,18-20H2,1-4H3,(H,35,43)(H,36,41)(H,37,42)/t22-,26-,27-,29+,30-/m0/s1
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 8n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards HDAC enzyme derived from Eimeria tenella protozoa

Bioorg Med Chem Lett 11: 113-7 (2001)


BindingDB Entry DOI: 10.7270/Q2M045ZB
More data for this
Ligand-Target Pair
Histone deacetylase


(Cryptosporidium parvum)		BDBM50366737
PNG
(CHEMBL1793971)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O)c1cnc2ccccc2c1O
Show InChI InChI=1S/C33H45N5O6/c1-4-20(3)27-33(44)38-18-12-11-17-26(38)31(42)35-25(16-8-6-7-13-21(39)5-2)30(41)37-28(32(43)36-27)23-19-34-24-15-10-9-14-22(24)29(23)40/h9-10,14-15,19-20,25-28H,4-8,11-13,16-18H2,1-3H3,(H,34,40)(H,35,42)(H,36,43)(H,37,41)/t20-,25-,26+,27-,28-/m0/s1
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 10n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards HDAC enzyme derived from Eimeria tenella protozoa

Bioorg Med Chem Lett 11: 113-7 (2001)


BindingDB Entry DOI: 10.7270/Q2M045ZB
More data for this
Ligand-Target Pair
Histone deacetylase


(Cryptosporidium parvum)		BDBM50366726
PNG
(CHEMBL1793982)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O)c1cnc2ccccc2c1N1CCCCC1
Show InChI InChI=1S/C38H54N6O5/c1-4-25(3)32-38(49)44-23-15-12-20-31(44)36(47)40-30(19-9-6-8-16-26(45)5-2)35(46)42-33(37(48)41-32)28-24-39-29-18-11-10-17-27(29)34(28)43-21-13-7-14-22-43/h10-11,17-18,24-25,30-33H,4-9,12-16,19-23H2,1-3H3,(H,40,47)(H,41,48)(H,42,46)/t25-,30-,31+,32-,33+/m0/s1
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 20n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards HDAC enzyme derived from Eimeria tenella protozoa

Bioorg Med Chem Lett 11: 113-7 (2001)


BindingDB Entry DOI: 10.7270/Q2M045ZB
More data for this
Ligand-Target Pair
Histone deacetylase


(Cryptosporidium parvum)		BDBM50366733
PNG
(CHEMBL1793973)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O)c1cn(OC)c2ccccc2c1=O
Show InChI InChI=1S/C34H47N5O7/c1-5-21(3)28-34(45)38-19-13-12-18-27(38)32(43)35-25(16-9-7-8-14-22(40)6-2)31(42)37-29(33(44)36-28)24-20-39(46-4)26-17-11-10-15-23(26)30(24)41/h10-11,15,17,20-21,25,27-29H,5-9,12-14,16,18-19H2,1-4H3,(H,35,43)(H,36,44)(H,37,42)/t21-,25-,27+,28-,29-/m0/s1
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 30n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards HDAC enzyme derived from Eimeria tenella protozoa

Bioorg Med Chem Lett 11: 113-7 (2001)


BindingDB Entry DOI: 10.7270/Q2M045ZB
More data for this
Ligand-Target Pair
Histone deacetylase


(Cryptosporidium parvum)		BDBM50366749
PNG
(CHEMBL1793983)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O)c1cnc2ccccc2c1Cl
Show InChI InChI=1S/C33H44ClN5O5/c1-4-20(3)28-33(44)39-18-12-11-17-26(39)31(42)36-25(16-8-6-7-13-21(40)5-2)30(41)38-29(32(43)37-28)23-19-35-24-15-10-9-14-22(24)27(23)34/h9-10,14-15,19-20,25-26,28-29H,4-8,11-13,16-18H2,1-3H3,(H,36,42)(H,37,43)(H,38,41)/t20-,25-,26+,28-,29+/m0/s1
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 50n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards HDAC enzyme derived from Eimeria tenella protozoa

Bioorg Med Chem Lett 11: 113-7 (2001)


BindingDB Entry DOI: 10.7270/Q2M045ZB
More data for this
Ligand-Target Pair
Histone deacetylase


(Cryptosporidium parvum)		BDBM50366736
PNG
(CHEMBL1793972)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O)c1cn(CC)c2ccccc2c1=O
Show InChI InChI=1S/C35H49N5O6/c1-5-22(4)29-35(46)40-20-14-13-19-28(40)33(44)36-26(17-10-8-9-15-23(41)6-2)32(43)38-30(34(45)37-29)25-21-39(7-3)27-18-12-11-16-24(27)31(25)42/h11-12,16,18,21-22,26,28-30H,5-10,13-15,17,19-20H2,1-4H3,(H,36,44)(H,37,45)(H,38,43)/t22-,26-,28+,29-,30-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards HDAC enzyme derived from Eimeria tenella protozoa

Bioorg Med Chem Lett 11: 113-7 (2001)


BindingDB Entry DOI: 10.7270/Q2M045ZB
More data for this
Ligand-Target Pair
Histone deacetylase


(Cryptosporidium parvum)		BDBM50366727
PNG
(CHEMBL1793981)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(=O)C(C)(C)C)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C30H50N4O6/c1-7-19(3)25-29(40)34-17-13-12-16-23(34)28(39)31-21(15-11-9-10-14-20(35)8-2)26(37)32-22(27(38)33-25)18-24(36)30(4,5)6/h19,21-23,25H,7-18H2,1-6H3,(H,31,39)(H,32,37)(H,33,38)/t19-,21-,22-,23+,25-/m0/s1
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 100n/an/an/an/an/an/an/an/a



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Curated by ChEMBL


Assay Description
Binding affinity towards HDAC enzyme derived from Eimeria tenella protozoa

Bioorg Med Chem Lett 11: 113-7 (2001)


BindingDB Entry DOI: 10.7270/Q2M045ZB
More data for this
Ligand-Target Pair
Histone deacetylase


(Cryptosporidium parvum)		BDBM50366729
PNG
(CHEMBL1793969)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O)C(=O)Cc1ccccc1
Show InChI InChI=1S/C32H46N4O6/c1-4-21(3)27-32(42)36-19-13-12-18-25(36)30(40)33-24(17-11-7-10-16-23(37)5-2)29(39)35-28(31(41)34-27)26(38)20-22-14-8-6-9-15-22/h6,8-9,14-15,21,24-25,27-28H,4-5,7,10-13,16-20H2,1-3H3,(H,33,40)(H,34,41)(H,35,39)/t21-,24-,25+,27-,28+/m0/s1
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 200n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards HDAC enzyme derived from Eimeria tenella protozoa

Bioorg Med Chem Lett 11: 113-7 (2001)


BindingDB Entry DOI: 10.7270/Q2M045ZB
More data for this
Ligand-Target Pair
Histone deacetylase


(Cryptosporidium parvum)		BDBM50366752
PNG
(CHEMBL1793970)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O)c1cnc2ccccc2c1O
Show InChI InChI=1S/C33H45N5O6/c1-4-20(3)27-33(44)38-18-12-11-17-26(38)31(42)35-25(16-8-6-7-13-21(39)5-2)30(41)37-28(32(43)36-27)23-19-34-24-15-10-9-14-22(24)29(23)40/h9-10,14-15,19-20,25-28H,4-8,11-13,16-18H2,1-3H3,(H,34,40)(H,35,42)(H,36,43)(H,37,41)/t20-,25-,26+,27-,28+/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards HDAC enzyme derived from Eimeria tenella protozoa

Bioorg Med Chem Lett 11: 113-7 (2001)


BindingDB Entry DOI: 10.7270/Q2M045ZB
More data for this
Ligand-Target Pair
Histone deacetylase


(Cryptosporidium parvum)		BDBM50366728
PNG
(CHEMBL1793978)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(=O)Cc2ccccc2)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C33H48N4O6/c1-4-22(3)29-33(43)37-19-13-12-18-28(37)32(42)34-26(17-11-7-10-16-24(38)5-2)30(40)35-27(31(41)36-29)21-25(39)20-23-14-8-6-9-15-23/h6,8-9,14-15,22,26-29H,4-5,7,10-13,16-21H2,1-3H3,(H,34,42)(H,35,40)(H,36,41)/t22-,26-,27-,28+,29-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards HDAC enzyme derived from Eimeria tenella protozoa

Bioorg Med Chem Lett 11: 113-7 (2001)


BindingDB Entry DOI: 10.7270/Q2M045ZB
More data for this
Ligand-Target Pair
Histone deacetylase


(Cryptosporidium parvum)		BDBM50366750
PNG
(CHEMBL1793987)
Show SMILES CCCCCCCCCCC(=O)C[C@@H]1NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C(=O)[C@@H](NC1=O)[C@@H](C)CC
Show InChI InChI=1S/C36H62N4O6/c1-5-8-9-10-11-12-13-15-21-28(42)25-30-34(44)39-32(26(4)6-2)36(46)40-24-19-18-23-31(40)35(45)37-29(33(43)38-30)22-17-14-16-20-27(41)7-3/h26,29-32H,5-25H2,1-4H3,(H,37,45)(H,38,43)(H,39,44)/t26-,29-,30-,31+,32-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards HDAC enzyme derived from Eimeria tenella protozoa

Bioorg Med Chem Lett 11: 113-7 (2001)


BindingDB Entry DOI: 10.7270/Q2M045ZB
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)		BDBM50182369
PNG
(4-(2-(4-fluorophenyl)-7-(1-methylpiperidin-4-yl)H-...)
Show SMILES CN1CCC(CC1)c1ccn2c(c(nc2c1)-c1ccc(F)cc1)-c1ccnc(N)n1
Show InChI InChI=1S/C23H23FN6/c1-29-11-7-15(8-12-29)17-9-13-30-20(14-17)28-21(16-2-4-18(24)5-3-16)22(30)19-6-10-26-23(25)27-19/h2-6,9-10,13-15H,7-8,11-12H2,1H3,(H2,25,26,27)
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n/an/a 0.0400n/an/an/an/an/an/a



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Curated by ChEMBL


Assay Description
Inhibitory activity against PKG

Bioorg Med Chem Lett 16: 2479-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.092
BindingDB Entry DOI: 10.7270/Q24X57CW
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)		BDBM50211814
PNG
(4-(2-(4-fluorophenyl)-7-((isopropylamino)methyl)H-...)
Show SMILES CC(C)NCc1ccn2c(c(nc2c1)-c1ccc(F)cc1)-c1ccnc(N[C@@H](C)c2ccccc2)n1
Show InChI InChI=1S/C29H29FN6/c1-19(2)32-18-21-14-16-36-26(17-21)35-27(23-9-11-24(30)12-10-23)28(36)25-13-15-31-29(34-25)33-20(3)22-7-5-4-6-8-22/h4-17,19-20,32H,18H2,1-3H3,(H,31,33,34)/t20-/m0/s1
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n/an/a 0.0500n/an/an/an/an/an/a



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Curated by ChEMBL


Assay Description
Inhibition of Et-PKG

Bioorg Med Chem Lett 17: 3558-61 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.041
BindingDB Entry DOI: 10.7270/Q20P0ZQH
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)		BDBM50182367
PNG
(4-(2-(4-fluorophenyl)-7-(piperidin-4-yl)H-imidazo[...)
Show SMILES Nc1nccc(n1)-c1c(nc2cc(ccn12)C1CCNCC1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H21FN6/c23-17-3-1-15(2-4-17)20-21(18-7-11-26-22(24)27-18)29-12-8-16(13-19(29)28-20)14-5-9-25-10-6-14/h1-4,7-8,11-14,25H,5-6,9-10H2,(H2,24,26,27)
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Curated by ChEMBL


Assay Description
Inhibitory activity against PKG

Bioorg Med Chem Lett 16: 2479-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.092
BindingDB Entry DOI: 10.7270/Q24X57CW
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)		BDBM50211811
PNG
(4-(7-((dimethylamino)methyl)-2-(4-fluorophenyl)H-i...)
Show SMILES CN(C)Cc1ccn2c(c(nc2c1)-c1ccc(F)cc1)-c1ccnc(Nc2ccccc2)n1
Show InChI InChI=1S/C26H23FN6/c1-32(2)17-18-13-15-33-23(16-18)31-24(19-8-10-20(27)11-9-19)25(33)22-12-14-28-26(30-22)29-21-6-4-3-5-7-21/h3-16H,17H2,1-2H3,(H,28,29,30)
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n/an/a 0.0600n/an/an/an/an/an/a



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Curated by ChEMBL


Assay Description
Inhibition of Et-PKG

Bioorg Med Chem Lett 17: 3558-61 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.041
BindingDB Entry DOI: 10.7270/Q20P0ZQH
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)		BDBM50211805
PNG
(4-(7-(((3-(dimethylamino)propyl)(methyl)amino)meth...)
Show SMILES C[C@H](Nc1nccc(n1)-c1c(nc2cc(CN(C)CCCN(C)C)ccn12)-c1ccc(F)cc1)c1ccccc1
Show InChI InChI=1S/C32H36FN7/c1-23(25-9-6-5-7-10-25)35-32-34-17-15-28(36-32)31-30(26-11-13-27(33)14-12-26)37-29-21-24(16-20-40(29)31)22-39(4)19-8-18-38(2)3/h5-7,9-17,20-21,23H,8,18-19,22H2,1-4H3,(H,34,35,36)/t23-/m0/s1
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n/an/a 0.0700n/an/an/an/an/an/a



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Curated by ChEMBL


Assay Description
Inhibition of Et-PKG

Bioorg Med Chem Lett 17: 3558-61 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.041
BindingDB Entry DOI: 10.7270/Q20P0ZQH
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)		BDBM50374578
PNG
(CHEMBL401749)
Show SMILES Fc1ccc(cc1)-c1[nH]c(cc1-c1ccncc1)C1CCN(CC2CNCCN2)CC1 |w:23.25|
Show InChI InChI=1S/C25H30FN5/c26-21-3-1-20(2-4-21)25-23(18-5-9-27-10-6-18)15-24(30-25)19-7-13-31(14-8-19)17-22-16-28-11-12-29-22/h1-6,9-10,15,19,22,28-30H,7-8,11-14,16-17H2
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n/an/a 0.0700n/an/an/an/an/an/a



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Curated by ChEMBL


Assay Description
Inhibition of Eimeria tenella cGMP-dependent protein kinase

Bioorg Med Chem Lett 18: 2019-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.104
BindingDB Entry DOI: 10.7270/Q2BV7HHX
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)		BDBM50374594
PNG
(CHEMBL444009)
Show SMILES Fc1ccc(cc1)-c1[nH]c(cc1-c1ccncc1)C1CCN(CCN2CCC2)CC1
Show InChI InChI=1S/C25H29FN4/c26-22-4-2-21(3-5-22)25-23(19-6-10-27-11-7-19)18-24(28-25)20-8-14-30(15-9-20)17-16-29-12-1-13-29/h2-7,10-11,18,20,28H,1,8-9,12-17H2
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n/an/a 0.0800n/an/an/an/an/an/a



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Curated by ChEMBL


Assay Description
Inhibition of Eimeria tenella cGMP-dependent protein kinase

Bioorg Med Chem Lett 18: 2019-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.104
BindingDB Entry DOI: 10.7270/Q2BV7HHX
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)		BDBM50182359
PNG
(CHEMBL379059 | N-benzyl-4-(7-((dimethylamino)methy...)
Show SMILES CN(C)Cc1ccn2c(c(nc2c1)-c1ccc(F)cc1)-c1ccnc(NCc2ccccc2)n1
Show InChI InChI=1S/C27H25FN6/c1-33(2)18-20-13-15-34-24(16-20)32-25(21-8-10-22(28)11-9-21)26(34)23-12-14-29-27(31-23)30-17-19-6-4-3-5-7-19/h3-16H,17-18H2,1-2H3,(H,29,30,31)
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n/an/a 0.0810n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Et-PKG

Bioorg Med Chem Lett 17: 3558-61 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.041
BindingDB Entry DOI: 10.7270/Q20P0ZQH
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)		BDBM50182359
PNG
(CHEMBL379059 | N-benzyl-4-(7-((dimethylamino)methy...)
Show SMILES CN(C)Cc1ccn2c(c(nc2c1)-c1ccc(F)cc1)-c1ccnc(NCc2ccccc2)n1
Show InChI InChI=1S/C27H25FN6/c1-33(2)18-20-13-15-34-24(16-20)32-25(21-8-10-22(28)11-9-21)26(34)23-12-14-29-27(31-23)30-17-19-6-4-3-5-7-19/h3-16H,17-18H2,1-2H3,(H,29,30,31)
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n/an/a 0.0810n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against PKG

Bioorg Med Chem Lett 16: 2479-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.092
BindingDB Entry DOI: 10.7270/Q24X57CW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50122385
PNG
(5-(2-Chloro-phenyl)-1-(2,6-dichloro-phenyl)-7-pipe...)
Show SMILES Clc1ccccc1-c1cc(CN2CCNCC2)cc2N(C(=O)NCc12)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C25H23Cl3N4O/c26-20-5-2-1-4-17(20)18-12-16(15-31-10-8-29-9-11-31)13-23-19(18)14-30-25(33)32(23)24-21(27)6-3-7-22(24)28/h1-7,12-13,29H,8-11,14-15H2,(H,30,33)
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n/an/a 0.100n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against mitogen-activated protein kinase p38 alpha

Bioorg Med Chem Lett 13: 277-80 (2002)


BindingDB Entry DOI: 10.7270/Q25X2884
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50122386
PNG
(5-(2-Chloro-4-fluoro-phenyl)-1-(2,6-dichloro-pheny...)
Show SMILES Fc1ccc(c(Cl)c1)-c1cc(cc2N(C(=O)NCc12)c1c(Cl)cccc1Cl)C1CCNCC1
Show InChI InChI=1S/C25H21Cl3FN3O/c26-20-2-1-3-21(27)24(20)32-23-11-15(14-6-8-30-9-7-14)10-18(19(23)13-31-25(32)33)17-5-4-16(29)12-22(17)28/h1-5,10-12,14,30H,6-9,13H2,(H,31,33)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against mitogen-activated protein kinase p38 alpha

Bioorg Med Chem Lett 13: 277-80 (2002)


BindingDB Entry DOI: 10.7270/Q25X2884
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)		BDBM50211820
PNG
(4-(7-(((2-(azetidin-1-yl)ethyl)(methyl)amino)methy...)
Show SMILES C[C@H](Nc1nccc(n1)-c1c(nc2cc(CN(C)CCN3CCC3)ccn12)-c1ccc(F)cc1)c1ccccc1
Show InChI InChI=1S/C32H34FN7/c1-23(25-7-4-3-5-8-25)35-32-34-15-13-28(36-32)31-30(26-9-11-27(33)12-10-26)37-29-21-24(14-18-40(29)31)22-38(2)19-20-39-16-6-17-39/h3-5,7-15,18,21,23H,6,16-17,19-20,22H2,1-2H3,(H,34,35,36)/t23-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Et-PKG

Bioorg Med Chem Lett 17: 3558-61 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.041
BindingDB Entry DOI: 10.7270/Q20P0ZQH
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))		BDBM50366693
PNG
(CHEMBL1793812)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCC(=O)C2CO2)NC(=O)[C@H]2CCCCN2CC1=O
Show InChI InChI=1S/C35H49N5O7/c1-4-22(2)32-30(42)20-39-17-11-10-15-28(39)35(45)36-25(13-6-5-7-16-29(41)31-21-47-31)33(43)37-26(34(44)38-32)18-23-19-40(46-3)27-14-9-8-12-24(23)27/h8-9,12,14,19,22,25-26,28,31-32H,4-7,10-11,13,15-18,20-21H2,1-3H3,(H,36,45)(H,37,43)(H,38,44)/t22-,25-,26-,28+,31?,32-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against histone deacetylase (HDAC) derived from partially purified extracts of human HeLa cells

Bioorg Med Chem Lett 11: 107-11 (2001)


BindingDB Entry DOI: 10.7270/Q2QR4XNX
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)		BDBM50195444
PNG
(2-(ethyl((2-(4-fluorophenyl)-3-(2-((S)-1-phenyleth...)
Show SMILES CCN(CCO)Cc1ccn2c(c(nc2c1)-c1ccc(F)cc1)-c1ccnc(n1)[C@@H](C)c1ccccc1
Show InChI InChI=1S/C30H30FN5O/c1-3-35(17-18-37)20-22-14-16-36-27(19-22)34-28(24-9-11-25(31)12-10-24)29(36)26-13-15-32-30(33-26)21(2)23-7-5-4-6-8-23/h4-16,19,21,37H,3,17-18,20H2,1-2H3/t21-/m0/s1
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n/an/a 0.100n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Eimeria tenella PKG

Bioorg Med Chem Lett 16: 5978-81 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.127
BindingDB Entry DOI: 10.7270/Q2KS6R6W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50122387
PNG
(5-(2-Chloro-4-fluoro-phenyl)-1-(2,6-dichloro-pheny...)
Show SMILES Fc1ccc(c(Cl)c1)-c1cc(OC2CCNCC2)cc2N(C(=O)NCc12)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C25H21Cl3FN3O2/c26-20-2-1-3-21(27)24(20)32-23-12-16(34-15-6-8-30-9-7-15)11-18(19(23)13-31-25(32)33)17-5-4-14(29)10-22(17)28/h1-5,10-12,15,30H,6-9,13H2,(H,31,33)
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n/an/a 0.100n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against mitogen-activated protein kinase p38 alpha

Bioorg Med Chem Lett 13: 277-80 (2002)


BindingDB Entry DOI: 10.7270/Q25X2884
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)		BDBM50182362
PNG
(4-(7-((dimethylamino)methyl)-2-(4-fluorophenyl)H-i...)
Show SMILES CN(C)Cc1ccn2c(c(nc2c1)-c1ccc(F)cc1)-c1ccnc(N)n1
Show InChI InChI=1S/C20H19FN6/c1-26(2)12-13-8-10-27-17(11-13)25-18(14-3-5-15(21)6-4-14)19(27)16-7-9-23-20(22)24-16/h3-11H,12H2,1-2H3,(H2,22,23,24)
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n/an/a 0.110n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against PKG

Bioorg Med Chem Lett 16: 2479-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.092
BindingDB Entry DOI: 10.7270/Q24X57CW
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)		BDBM50211812
PNG
(4-(2-(4-fluorophenyl)-7-((isopropyl(methyl)amino)m...)
Show SMILES CC(C)N(C)Cc1ccn2c(c(nc2c1)-c1ccc(F)cc1)-c1ccnc(N[C@@H](C)c2ccccc2)n1
Show InChI InChI=1S/C30H31FN6/c1-20(2)36(4)19-22-15-17-37-27(18-22)35-28(24-10-12-25(31)13-11-24)29(37)26-14-16-32-30(34-26)33-21(3)23-8-6-5-7-9-23/h5-18,20-21H,19H2,1-4H3,(H,32,33,34)/t21-/m0/s1
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n/an/a 0.110n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Et-PKG

Bioorg Med Chem Lett 17: 3558-61 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.041
BindingDB Entry DOI: 10.7270/Q20P0ZQH
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)		BDBM50211802
PNG
(2-(((2-(4-fluorophenyl)-3-(2-((S)-1-phenylethylami...)
Show SMILES C[C@H](Nc1nccc(n1)-c1c(nc2cc(CN(C)CCO)ccn12)-c1ccc(F)cc1)c1ccccc1
Show InChI InChI=1S/C29H29FN6O/c1-20(22-6-4-3-5-7-22)32-29-31-14-12-25(33-29)28-27(23-8-10-24(30)11-9-23)34-26-18-21(13-15-36(26)28)19-35(2)16-17-37/h3-15,18,20,37H,16-17,19H2,1-2H3,(H,31,32,33)/t20-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Et-PKG

Bioorg Med Chem Lett 17: 3558-61 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.041
BindingDB Entry DOI: 10.7270/Q20P0ZQH
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)		BDBM50195435
PNG
(2-(((2-(4-fluorophenyl)-3-(2-((S)-1-phenylethyl)py...)
Show SMILES C[C@@H](c1ccccc1)c1nccc(n1)-c1c(nc2cc(CN(C)CCO)ccn12)-c1ccc(F)cc1
Show InChI InChI=1S/C29H28FN5O/c1-20(22-6-4-3-5-7-22)29-31-14-12-25(32-29)28-27(23-8-10-24(30)11-9-23)33-26-18-21(13-15-35(26)28)19-34(2)16-17-36/h3-15,18,20,36H,16-17,19H2,1-2H3/t20-/m0/s1
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n/an/a 0.110n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Eimeria tenella PKG

Bioorg Med Chem Lett 16: 5978-81 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.127
BindingDB Entry DOI: 10.7270/Q2KS6R6W
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)		BDBM50182355
PNG
(4-(7-((dimethylamino)methyl)-2-(4-fluorophenyl)H-i...)
Show SMILES CCCNc1nccc(n1)-c1c(nc2cc(CN(C)C)ccn12)-c1ccc(F)cc1
Show InChI InChI=1S/C23H25FN6/c1-4-11-25-23-26-12-9-19(27-23)22-21(17-5-7-18(24)8-6-17)28-20-14-16(15-29(2)3)10-13-30(20)22/h5-10,12-14H,4,11,15H2,1-3H3,(H,25,26,27)
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n/an/a 0.130n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against PKG

Bioorg Med Chem Lett 16: 2479-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.092
BindingDB Entry DOI: 10.7270/Q24X57CW
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)		BDBM50211803
PNG
(4-(7-((ethyl(methyl)amino)methyl)-2-(4-fluoropheny...)
Show SMILES CCN(C)Cc1ccn2c(c(nc2c1)-c1ccc(F)cc1)-c1ccnc(N[C@@H](C)c2ccccc2)n1
Show InChI InChI=1S/C29H29FN6/c1-4-35(3)19-21-15-17-36-26(18-21)34-27(23-10-12-24(30)13-11-23)28(36)25-14-16-31-29(33-25)32-20(2)22-8-6-5-7-9-22/h5-18,20H,4,19H2,1-3H3,(H,31,32,33)/t20-/m0/s1
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n/an/a 0.130n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Et-PKG

Bioorg Med Chem Lett 17: 3558-61 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.041
BindingDB Entry DOI: 10.7270/Q20P0ZQH
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)		BDBM50195439
PNG
(CHEMBL221636 | N-((2-(4-fluorophenyl)-3-(2-((S)-1-...)
Show SMILES CCN(C)Cc1ccn2c(c(nc2c1)-c1ccc(F)cc1)-c1ccnc(n1)[C@@H](C)c1ccccc1
Show InChI InChI=1S/C29H28FN5/c1-4-34(3)19-21-15-17-35-26(18-21)33-27(23-10-12-24(30)13-11-23)28(35)25-14-16-31-29(32-25)20(2)22-8-6-5-7-9-22/h5-18,20H,4,19H2,1-3H3/t20-/m0/s1
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n/an/a 0.130n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Eimeria tenella PKG

Bioorg Med Chem Lett 16: 5978-81 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.127
BindingDB Entry DOI: 10.7270/Q2KS6R6W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50122390
PNG
(5-(2-Chloro-4-fluoro-phenyl)-1-(2,6-dichloro-pheny...)
Show SMILES Fc1ccc(c(Cl)c1)-c1cc(CN2CCNCC2)cc2N(C(=O)NCc12)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C25H22Cl3FN4O/c26-20-2-1-3-21(27)24(20)33-23-11-15(14-32-8-6-30-7-9-32)10-18(19(23)13-31-25(33)34)17-5-4-16(29)12-22(17)28/h1-5,10-12,30H,6-9,13-14H2,(H,31,34)
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n/an/a 0.130n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against mitogen-activated protein kinase p38 alpha

Bioorg Med Chem Lett 13: 277-80 (2002)


BindingDB Entry DOI: 10.7270/Q25X2884
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)		BDBM50195446
PNG
(CHEMBL222158 | N-((2-(4-fluorophenyl)-3-(2-((S)-1-...)
Show SMILES CCNCc1ccn2c(c(nc2c1)-c1ccc(F)cc1)-c1ccnc(n1)[C@@H](C)c1ccccc1
Show InChI InChI=1S/C28H26FN5/c1-3-30-18-20-14-16-34-25(17-20)33-26(22-9-11-23(29)12-10-22)27(34)24-13-15-31-28(32-24)19(2)21-7-5-4-6-8-21/h4-17,19,30H,3,18H2,1-2H3/t19-/m0/s1
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n/an/a 0.140n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Eimeria tenella PKG

Bioorg Med Chem Lett 16: 5978-81 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.127
BindingDB Entry DOI: 10.7270/Q2KS6R6W
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)		BDBM50182358
PNG
(4-(2-(4-fluorophenyl)-7-((methylamino)methyl)H-imi...)
Show SMILES CNCc1ccn2c(c(nc2c1)-c1ccc(F)cc1)-c1ccnc(N)n1
Show InChI InChI=1S/C19H17FN6/c1-22-11-12-7-9-26-16(10-12)25-17(13-2-4-14(20)5-3-13)18(26)15-6-8-23-19(21)24-15/h2-10,22H,11H2,1H3,(H2,21,23,24)
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n/an/a 0.150n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against PKG

Bioorg Med Chem Lett 16: 2479-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.092
BindingDB Entry DOI: 10.7270/Q24X57CW
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)		BDBM50211821
PNG
(2-(((2-(4-fluorophenyl)-3-(2-((S)-1-phenylethylami...)
Show SMILES C[C@H](Nc1nccc(n1)-c1c(nc2cc(CN(C)C(CO)CO)ccn12)-c1ccc(F)cc1)c1ccccc1
Show InChI InChI=1S/C30H31FN6O2/c1-20(22-6-4-3-5-7-22)33-30-32-14-12-26(34-30)29-28(23-8-10-24(31)11-9-23)35-27-16-21(13-15-37(27)29)17-36(2)25(18-38)19-39/h3-16,20,25,38-39H,17-19H2,1-2H3,(H,32,33,34)/t20-/m0/s1
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n/an/a 0.150n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Et-PKG

Bioorg Med Chem Lett 17: 3558-61 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.041
BindingDB Entry DOI: 10.7270/Q20P0ZQH
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)		BDBM50211808
PNG
(CHEMBL233008 | N-(2-(((2-(4-fluorophenyl)-3-(2-((S...)
Show SMILES C[C@H](Nc1nccc(n1)-c1c(nc2cc(CN(C)CCNS(C)(=O)=O)ccn12)-c1ccc(F)cc1)c1ccccc1
Show InChI InChI=1S/C30H32FN7O2S/c1-21(23-7-5-4-6-8-23)34-30-32-15-13-26(35-30)29-28(24-9-11-25(31)12-10-24)36-27-19-22(14-17-38(27)29)20-37(2)18-16-33-41(3,39)40/h4-15,17,19,21,33H,16,18,20H2,1-3H3,(H,32,34,35)/t21-/m0/s1
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n/an/a 0.150n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Et-PKG

Bioorg Med Chem Lett 17: 3558-61 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.041
BindingDB Entry DOI: 10.7270/Q20P0ZQH
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)		BDBM50182361
PNG
(4-(7-((dimethylamino)methyl)-2-(4-fluorophenyl)H-i...)
Show SMILES CN(C)Cc1ccn2c(c(nc2c1)-c1ccc(F)cc1)-c1ccnc(NCC(C)(C)C)n1
Show InChI InChI=1S/C25H29FN6/c1-25(2,3)16-28-24-27-12-10-20(29-24)23-22(18-6-8-19(26)9-7-18)30-21-14-17(15-31(4)5)11-13-32(21)23/h6-14H,15-16H2,1-5H3,(H,27,28,29)
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n/an/a 0.150n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against PKG

Bioorg Med Chem Lett 16: 2479-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.092
BindingDB Entry DOI: 10.7270/Q24X57CW
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)		BDBM50171694
PNG
((R)-5-{4-[5-(4-Fluoro-phenyl)-4-pyridin-4-yl-1H-py...)
Show SMILES O[C@H]1CNC(CN2CCC(CC2)c2cc(c([nH]2)-c2ccc(F)cc2)-c2ccncc2)C1
Show InChI InChI=1S/C25H29FN4O/c26-20-3-1-19(2-4-20)25-23(17-5-9-27-10-6-17)14-24(29-25)18-7-11-30(12-8-18)16-21-13-22(31)15-28-21/h1-6,9-10,14,18,21-22,28-29,31H,7-8,11-13,15-16H2/t21?,22-/m1/s1
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n/an/a 0.160n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against cGMP-dependent protein kinase from Eimeria tenella

Bioorg Med Chem Lett 15: 4570-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.096
BindingDB Entry DOI: 10.7270/Q2416WM9
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)		BDBM50374591
PNG
(CHEMBL255128)
Show SMILES O[C@H]1CN[C@H](CN2CCC(CC2)c2cc(c([nH]2)-c2ccc(F)cc2)-c2ccncc2)C1
Show InChI InChI=1S/C25H29FN4O/c26-20-3-1-19(2-4-20)25-23(17-5-9-27-10-6-17)14-24(29-25)18-7-11-30(12-8-18)16-21-13-22(31)15-28-21/h1-6,9-10,14,18,21-22,28-29,31H,7-8,11-13,15-16H2/t21-,22+/m0/s1
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n/an/a 0.160n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Eimeria tenella cGMP-dependent protein kinase

Bioorg Med Chem Lett 18: 2019-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.104
BindingDB Entry DOI: 10.7270/Q2BV7HHX
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)		BDBM50195441
PNG
(CHEMBL220598 | N-ethyl-N-((2-(4-fluorophenyl)-3-(2...)
Show SMILES CCN(CC)Cc1ccn2c(c(nc2c1)-c1ccc(F)cc1)-c1ccnc(n1)[C@@H](C)c1ccccc1
Show InChI InChI=1S/C30H30FN5/c1-4-35(5-2)20-22-16-18-36-27(19-22)34-28(24-11-13-25(31)14-12-24)29(36)26-15-17-32-30(33-26)21(3)23-9-7-6-8-10-23/h6-19,21H,4-5,20H2,1-3H3/t21-/m0/s1
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n/an/a 0.160n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Eimeria tenella PKG

Bioorg Med Chem Lett 16: 5978-81 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.127
BindingDB Entry DOI: 10.7270/Q2KS6R6W
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)		BDBM50195437
PNG
((2-(4-fluorophenyl)-3-(2-((S)-1-phenylethyl)pyrimi...)
Show SMILES CNCc1ccn2c(c(nc2c1)-c1ccc(F)cc1)-c1ccnc(n1)[C@@H](C)c1ccccc1
Show InChI InChI=1S/C27H24FN5/c1-18(20-6-4-3-5-7-20)27-30-14-12-23(31-27)26-25(21-8-10-22(28)11-9-21)32-24-16-19(17-29-2)13-15-33(24)26/h3-16,18,29H,17H2,1-2H3/t18-/m0/s1
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n/an/a 0.160n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Eimeria tenella PKG

Bioorg Med Chem Lett 16: 5978-81 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.127
BindingDB Entry DOI: 10.7270/Q2KS6R6W
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)		BDBM50195433
PNG
(CHEMBL221689 | N-((2-(4-fluorophenyl)-3-(2-((S)-1-...)
Show SMILES C[C@@H](c1ccccc1)c1nccc(n1)-c1c(nc2cc(CNC(C)(C)C)ccn12)-c1ccc(F)cc1
Show InChI InChI=1S/C30H30FN5/c1-20(22-8-6-5-7-9-22)29-32-16-14-25(34-29)28-27(23-10-12-24(31)13-11-23)35-26-18-21(15-17-36(26)28)19-33-30(2,3)4/h5-18,20,33H,19H2,1-4H3/t20-/m0/s1
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n/an/a 0.160n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Eimeria tenella PKG

Bioorg Med Chem Lett 16: 5978-81 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.127
BindingDB Entry DOI: 10.7270/Q2KS6R6W
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)		BDBM50374587
PNG
(CHEMBL272573)
Show SMILES Fc1ccc(cc1)-c1[nH]c(cc1-c1ccncc1)C1CCN(CC2CNCCO2)CC1 |w:23.25|
Show InChI InChI=1S/C25H29FN4O/c26-21-3-1-20(2-4-21)25-23(18-5-9-27-10-6-18)15-24(29-25)19-7-12-30(13-8-19)17-22-16-28-11-14-31-22/h1-6,9-10,15,19,22,28-29H,7-8,11-14,16-17H2
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n/an/a 0.170n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Eimeria tenella cGMP-dependent protein kinase

Bioorg Med Chem Lett 18: 2019-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.104
BindingDB Entry DOI: 10.7270/Q2BV7HHX
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)		BDBM50182356
PNG
(4-(7-((dimethylamino)methyl)-2-(4-fluorophenyl)H-i...)
Show SMILES CNc1nccc(n1)-c1c(nc2cc(CN(C)C)ccn12)-c1ccc(F)cc1
Show InChI InChI=1S/C21H21FN6/c1-23-21-24-10-8-17(25-21)20-19(15-4-6-16(22)7-5-15)26-18-12-14(13-27(2)3)9-11-28(18)20/h4-12H,13H2,1-3H3,(H,23,24,25)
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n/an/a 0.170n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against PKG

Bioorg Med Chem Lett 16: 2479-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.092
BindingDB Entry DOI: 10.7270/Q24X57CW
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)		BDBM50182363
PNG
(4-(7-(aminomethyl)-2-(4-fluorophenyl)H-imidazo[1,2...)
Show SMILES NCc1ccn2c(c(nc2c1)-c1ccc(F)cc1)-c1ccnc(N)n1
Show InChI InChI=1S/C18H15FN6/c19-13-3-1-12(2-4-13)16-17(14-5-7-22-18(21)23-14)25-8-6-11(10-20)9-15(25)24-16/h1-9H,10,20H2,(H2,21,22,23)
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n/an/a 0.180n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against PKG

Bioorg Med Chem Lett 16: 2479-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.092
BindingDB Entry DOI: 10.7270/Q24X57CW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM17060
PNG
(1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)-7-(p...)
Show SMILES Fc1ccc(c(F)c1)-c1cc(cc2N(C(=O)NCc12)c1c(Cl)cccc1Cl)C1CCNCC1
Show InChI InChI=1S/C25H21Cl2F2N3O/c26-20-2-1-3-21(27)24(20)32-23-11-15(14-6-8-30-9-7-14)10-18(19(23)13-31-25(32)33)17-5-4-16(28)12-22(17)29/h1-5,10-12,14,30H,6-9,13H2,(H,31,33)
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n/an/a 0.200n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against mitogen-activated protein kinase p38 alpha

Bioorg Med Chem Lett 13: 277-80 (2002)


BindingDB Entry DOI: 10.7270/Q25X2884
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50122384
PNG
(5-(2-Chloro-phenyl)-1-(2,6-dichloro-phenyl)-7-(pip...)
Show SMILES Clc1ccccc1-c1cc(OC2CCNCC2)cc2N(C(=O)NCc12)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C25H22Cl3N3O2/c26-20-5-2-1-4-17(20)18-12-16(33-15-8-10-29-11-9-15)13-23-19(18)14-30-25(32)31(23)24-21(27)6-3-7-22(24)28/h1-7,12-13,15,29H,8-11,14H2,(H,30,32)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against mitogen-activated protein kinase p38 alpha

Bioorg Med Chem Lett 13: 277-80 (2002)


BindingDB Entry DOI: 10.7270/Q25X2884
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50122379
PNG
(7-(1-tert-Butyl-piperidin-4-yl)-5-(2-chloro-4-fluo...)
Show SMILES CC(C)(C)N1CCC(CC1)c1cc2N(C(=O)NCc2c(c1)-c1ccc(F)cc1Cl)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C29H29Cl3FN3O/c1-29(2,3)35-11-9-17(10-12-35)18-13-21(20-8-7-19(33)15-25(20)32)22-16-34-28(37)36(26(22)14-18)27-23(30)5-4-6-24(27)31/h4-8,13-15,17H,9-12,16H2,1-3H3,(H,34,37)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against mitogen-activated protein kinase p38 alpha

Bioorg Med Chem Lett 13: 277-80 (2002)


BindingDB Entry DOI: 10.7270/Q25X2884
More data for this
Ligand-Target Pair
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