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Compile Data Set for Download or QSAR

Found 142 hits Enz. Inhib. hit(s) with Target = 'Protein kinase Pfmrk'   
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
Protein kinase Pfmrk


(Plasmodium falciparum)
BDBM50154611
PNG
(2-Nitro-4b,9,10-triaza-benzo[b]fluorene-5,11-dione...)
Show SMILES [O-][N+](=O)c1ccc-2c(c1)C(=O)c1nc3ncccc3c(=O)n-21
Show InChI InChI=1S/C14H6N4O4/c19-11-9-6-7(18(21)22)3-4-10(9)17-13(11)16-12-8(14(17)20)2-1-5-15-12/h1-6H
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n/an/a 130n/an/an/an/an/an/a



Walter Reed Army Institute of Research

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum cyclin-dependent kinase


J Med Chem 47: 5418-26 (2004)


Article DOI: 10.1021/jm040108f
BindingDB Entry DOI: 10.7270/Q2BZ66TW
More data for this
Ligand-Target Pair
Protein kinase Pfmrk


(Plasmodium falciparum)
BDBM50321437
PNG
(2-chloro-N-(o-tolylcarbamoyl)benzamide | CHEMBL116...)
Show SMILES Cc1ccccc1NC(=O)NC(=O)c1ccccc1Cl
Show InChI InChI=1S/C15H13ClN2O2/c1-10-6-2-5-9-13(10)17-15(20)18-14(19)11-7-3-4-8-12(11)16/h2-9H,1H3,(H2,17,18,19,20)
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Walter Reed Army Institute of Research

Curated by ChEMBL


Assay Description
Inhibition of His6x-tagged Plasmodium falciparum Pfmrk expressed in Escherichia coli by microtiter plate scintillation counting


Bioorg Med Chem Lett 20: 3863-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.039
BindingDB Entry DOI: 10.7270/Q2F47Q3Q
More data for this
Ligand-Target Pair
Protein kinase Pfmrk


(Plasmodium falciparum)
BDBM50321455
PNG
(2,5-dichloro-N-p-tolyl-N-(trichloromethylthio)thio...)
Show SMILES Cc1ccc(cc1)N(SC(Cl)(Cl)Cl)S(=O)(=O)c1cc(Cl)sc1Cl
Show InChI InChI=1S/C12H8Cl5NO2S3/c1-7-2-4-8(5-3-7)18(22-12(15,16)17)23(19,20)9-6-10(13)21-11(9)14/h2-6H,1H3
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Walter Reed Army Institute of Research

Curated by ChEMBL


Assay Description
Inhibition of His6x-tagged Plasmodium falciparum Pfmrk expressed in Escherichia coli by microtiter plate scintillation counting


Bioorg Med Chem Lett 20: 3863-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.039
BindingDB Entry DOI: 10.7270/Q2F47Q3Q
More data for this
Ligand-Target Pair
Protein kinase Pfmrk


(Plasmodium falciparum)
BDBM50066318
PNG
(CHEMBL108888 | N'-(2-fluorobenzoyl)-2-naphthohydra...)
Show SMILES Fc1ccccc1C(=O)NNC(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C18H13FN2O2/c19-16-8-4-3-7-15(16)18(23)21-20-17(22)14-10-9-12-5-1-2-6-13(12)11-14/h1-11H,(H,20,22)(H,21,23)
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Walter Reed Army Institute of Research

Curated by ChEMBL


Assay Description
Inhibition of His6x-tagged Plasmodium falciparum Pfmrk expressed in Escherichia coli by microtiter plate scintillation counting


Bioorg Med Chem Lett 20: 3863-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.039
BindingDB Entry DOI: 10.7270/Q2F47Q3Q
More data for this
Ligand-Target Pair
Protein kinase Pfmrk


(Plasmodium falciparum)
BDBM50321447
PNG
(2,4,5-trichloro-N-(3-(trifluoromethyl)phenyl)benze...)
Show SMILES FC(F)(F)c1cccc(NS(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)c1
Show InChI InChI=1S/C13H7Cl3F3NO2S/c14-9-5-11(16)12(6-10(9)15)23(21,22)20-8-3-1-2-7(4-8)13(17,18)19/h1-6,20H
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n/an/a 600n/an/an/an/an/an/a



Walter Reed Army Institute of Research

Curated by ChEMBL


Assay Description
Inhibition of His6x-tagged Plasmodium falciparum Pfmrk expressed in Escherichia coli by microtiter plate scintillation counting


Bioorg Med Chem Lett 20: 3863-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.039
BindingDB Entry DOI: 10.7270/Q2F47Q3Q
More data for this
Ligand-Target Pair
Protein kinase Pfmrk


(Plasmodium falciparum)
BDBM50321438
PNG
(2-(3,4-dichlorophenyl)-2-(2-hydroxy-2-phenylethyla...)
Show SMILES OC(CNC(C#N)c1ccc(Cl)c(Cl)c1)c1ccccc1
Show InChI InChI=1S/C16H14Cl2N2O/c17-13-7-6-12(8-14(13)18)15(9-19)20-10-16(21)11-4-2-1-3-5-11/h1-8,15-16,20-21H,10H2
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Walter Reed Army Institute of Research

Curated by ChEMBL


Assay Description
Inhibition of His6x-tagged Plasmodium falciparum Pfmrk expressed in Escherichia coli by microtiter plate scintillation counting


Bioorg Med Chem Lett 20: 3863-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.039
BindingDB Entry DOI: 10.7270/Q2F47Q3Q
More data for this
Ligand-Target Pair
Protein kinase Pfmrk


(Plasmodium falciparum)
BDBM50321451
PNG
(2,5-dichloro-N-p-tolylthiophene-3-sulfonamide | CH...)
Show SMILES Cc1ccc(NS(=O)(=O)c2cc(Cl)sc2Cl)cc1
Show InChI InChI=1S/C11H9Cl2NO2S2/c1-7-2-4-8(5-3-7)14-18(15,16)9-6-10(12)17-11(9)13/h2-6,14H,1H3
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n/an/a 600n/an/an/an/an/an/a



Walter Reed Army Institute of Research

Curated by ChEMBL


Assay Description
Inhibition of His6x-tagged Plasmodium falciparum Pfmrk expressed in Escherichia coli by microtiter plate scintillation counting


Bioorg Med Chem Lett 20: 3863-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.039
BindingDB Entry DOI: 10.7270/Q2F47Q3Q
More data for this
Ligand-Target Pair
Protein kinase Pfmrk


(Plasmodium falciparum)
BDBM50321461
PNG
(2-bromo-N-(2,5-dichlorothiophen-3-ylsulfonyl)-N-ph...)
Show SMILES Clc1cc(c(Cl)s1)S(=O)(=O)N(C(=O)CBr)c1ccccc1
Show InChI InChI=1S/C12H8BrCl2NO3S2/c13-7-11(17)16(8-4-2-1-3-5-8)21(18,19)9-6-10(14)20-12(9)15/h1-6H,7H2
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Walter Reed Army Institute of Research

Curated by ChEMBL


Assay Description
Inhibition of His6x-tagged Plasmodium falciparum Pfmrk expressed in Escherichia coli by microtiter plate scintillation counting


Bioorg Med Chem Lett 20: 3863-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.039
BindingDB Entry DOI: 10.7270/Q2F47Q3Q
More data for this
Ligand-Target Pair
Protein kinase Pfmrk


(Plasmodium falciparum)
BDBM50321452
PNG
(2,5-dichloro-N-(4-(trifluoromethyl)phenyl)-4,5-dih...)
Show SMILES FC(F)(F)c1ccc(NS(=O)(=O)C2=C(Cl)SC(Cl)C2)cc1
Show InChI InChI=1S/C11H8Cl2F3NO2S2/c12-9-5-8(10(13)20-9)21(18,19)17-7-3-1-6(2-4-7)11(14,15)16/h1-4,9,17H,5H2
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Walter Reed Army Institute of Research

Curated by ChEMBL


Assay Description
Inhibition of His6x-tagged Plasmodium falciparum Pfmrk expressed in Escherichia coli by microtiter plate scintillation counting


Bioorg Med Chem Lett 20: 3863-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.039
BindingDB Entry DOI: 10.7270/Q2F47Q3Q
More data for this
Ligand-Target Pair
Protein kinase Pfmrk


(Plasmodium falciparum)
BDBM50321446
PNG
(4-methyl-N-(3-(trifluoromethyl)phenyl)benzenesulfo...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C14H12F3NO2S/c1-10-5-7-13(8-6-10)21(19,20)18-12-4-2-3-11(9-12)14(15,16)17/h2-9,18H,1H3
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n/an/a 700n/an/an/an/an/an/a



Walter Reed Army Institute of Research

Curated by ChEMBL


Assay Description
Inhibition of His6x-tagged Plasmodium falciparum Pfmrk expressed in Escherichia coli by microtiter plate scintillation counting


Bioorg Med Chem Lett 20: 3863-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.039
BindingDB Entry DOI: 10.7270/Q2F47Q3Q
More data for this
Ligand-Target Pair
Protein kinase Pfmrk


(Plasmodium falciparum)
BDBM50011236
PNG
(CHEMBL344314 | Isoquinoline-5-sulfonic acid (2-ami...)
Show SMILES NCCNS(=O)(=O)c1cccc2cnccc12
Show InChI InChI=1S/C11H13N3O2S/c12-5-7-14-17(15,16)11-3-1-2-9-8-13-6-4-10(9)11/h1-4,6,8,14H,5,7,12H2
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n/an/a 700n/an/an/an/an/an/a



Institute of Research

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum Pfmrk


Bioorg Med Chem Lett 17: 4961-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.032
BindingDB Entry DOI: 10.7270/Q2GX4CC8
More data for this
Ligand-Target Pair
Protein kinase Pfmrk


(Plasmodium falciparum)
BDBM50321462
PNG
(2-bromo-N-(4-chlorophenyl)-N-(2,5-dichlorothiophen...)
Show SMILES Clc1cc(c(Cl)s1)S(=O)(=O)N(C(=O)CBr)c1ccc(Cl)cc1
Show InChI InChI=1S/C12H7BrCl3NO3S2/c13-6-11(18)17(8-3-1-7(14)2-4-8)22(19,20)9-5-10(15)21-12(9)16/h1-5H,6H2
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Walter Reed Army Institute of Research

Curated by ChEMBL


Assay Description
Inhibition of His6x-tagged Plasmodium falciparum Pfmrk expressed in Escherichia coli by microtiter plate scintillation counting


Bioorg Med Chem Lett 20: 3863-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.039
BindingDB Entry DOI: 10.7270/Q2F47Q3Q
More data for this
Ligand-Target Pair
Protein kinase Pfmrk


(Plasmodium falciparum)
BDBM50107296
PNG
((E)-1-(2,4-dimethoxyphenyl)-3-(naphthalen-1-yl)pro...)
Show SMILES COc1ccc(C(=O)\C=C\c2cccc3ccccc23)c(OC)c1
Show InChI InChI=1S/C21H18O3/c1-23-17-11-12-19(21(14-17)24-2)20(22)13-10-16-8-5-7-15-6-3-4-9-18(15)16/h3-14H,1-2H3/b13-10+
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n/an/a 1.30E+3n/an/an/an/an/an/a



Institute of Research

Curated by ChEMBL


Assay Description
Inhibition of His6x-tagged Plasmodium falciparum Pfmrk expressed in Escherichia coli by microtiter plate scintillation counting


Bioorg Med Chem Lett 19: 1982-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.042
BindingDB Entry DOI: 10.7270/Q2P26Z1T
More data for this
Ligand-Target Pair
Protein kinase Pfmrk


(Plasmodium falciparum)
BDBM50131992
PNG
(5-Bromo-3-[2-(4-fluoro-phenyl)-2-oxo-ethylidene]-1...)
Show SMILES Fc1ccc(cc1)C(=O)\C=C1\C(=O)Nc2ccc(Br)cc12
Show InChI InChI=1S/C16H9BrFNO2/c17-10-3-6-14-12(7-10)13(16(21)19-14)8-15(20)9-1-4-11(18)5-2-9/h1-8H,(H,19,21)/b13-8+
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n/an/a 1.40E+3n/an/an/an/an/an/a



Institute of Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Plasmodium falciparum cyclin dependent protein kinase, Pfmrk


J Med Chem 46: 3877-82 (2003)


Article DOI: 10.1021/jm0300983
BindingDB Entry DOI: 10.7270/Q2028S9W
More data for this
Ligand-Target Pair
Protein kinase Pfmrk


(Plasmodium falciparum)
BDBM50131992
PNG
(5-Bromo-3-[2-(4-fluoro-phenyl)-2-oxo-ethylidene]-1...)
Show SMILES Fc1ccc(cc1)C(=O)\C=C1\C(=O)Nc2ccc(Br)cc12
Show InChI InChI=1S/C16H9BrFNO2/c17-10-3-6-14-12(7-10)13(16(21)19-14)8-15(20)9-1-4-11(18)5-2-9/h1-8H,(H,19,21)/b13-8+
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n/an/a 1.40E+3n/an/an/an/an/an/a



Walter Reed Army Institute of Research

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum cyclin-dependent kinase


J Med Chem 47: 5418-26 (2004)


Article DOI: 10.1021/jm040108f
BindingDB Entry DOI: 10.7270/Q2BZ66TW
More data for this
Ligand-Target Pair
Protein kinase Pfmrk


(Plasmodium falciparum)
BDBM50154598
PNG
(5-Chloro-4-nitro-thiophene-2-sulfonic acid (4-trif...)
Show SMILES [O-][N+](=O)c1cc(sc1Cl)S(=O)(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C11H6ClF3N2O4S2/c12-10-8(17(18)19)5-9(22-10)23(20,21)16-7-3-1-6(2-4-7)11(13,14)15/h1-5,16H
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n/an/a 2.50E+3n/an/an/an/an/an/a



Walter Reed Army Institute of Research

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum cyclin-dependent kinase


J Med Chem 47: 5418-26 (2004)


Article DOI: 10.1021/jm040108f
BindingDB Entry DOI: 10.7270/Q2BZ66TW
More data for this
Ligand-Target Pair
Protein kinase Pfmrk


(Plasmodium falciparum)
BDBM50154620
PNG
(5-Bromo-3-(2-oxo-2-p-tolyl-ethylidene)-1,3-dihydro...)
Show SMILES Cc1ccc(cc1)C(=O)\C=C1/C(=O)Nc2ccc(Br)cc12
Show InChI InChI=1S/C17H12BrNO2/c1-10-2-4-11(5-3-10)16(20)9-14-13-8-12(18)6-7-15(13)19-17(14)21/h2-9H,1H3,(H,19,21)/b14-9-
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n/an/a 2.90E+3n/an/an/an/an/an/a



Walter Reed Army Institute of Research

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum cyclin-dependent kinase


J Med Chem 47: 5418-26 (2004)


Article DOI: 10.1021/jm040108f
BindingDB Entry DOI: 10.7270/Q2BZ66TW
More data for this
Ligand-Target Pair
Protein kinase Pfmrk


(Plasmodium falciparum)
BDBM50131998
PNG
(5-Bromo-3-(2-oxo-2-p-tolyl-ethylidene)-1,3-dihydro...)
Show SMILES Cc1ccc(cc1)C(=O)\C=C1\C(=O)Nc2ccc(Br)cc12
Show InChI InChI=1S/C17H12BrNO2/c1-10-2-4-11(5-3-10)16(20)9-14-13-8-12(18)6-7-15(13)19-17(14)21/h2-9H,1H3,(H,19,21)/b14-9+
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n/an/a 2.90E+3n/an/an/an/an/an/a



Institute of Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Plasmodium falciparum cyclin dependent protein kinase, Pfmrk


J Med Chem 46: 3877-82 (2003)


Article DOI: 10.1021/jm0300983
BindingDB Entry DOI: 10.7270/Q2028S9W
More data for this
Ligand-Target Pair
Protein kinase Pfmrk


(Plasmodium falciparum)
BDBM50154618
PNG
(5-Bromo-3-(2-oxo-2-phenyl-ethylidene)-1,3-dihydro-...)
Show SMILES Brc1ccc2NC(=O)\C(=C/C(=O)c3ccccc3)c2c1
Show InChI InChI=1S/C16H10BrNO2/c17-11-6-7-14-12(8-11)13(16(20)18-14)9-15(19)10-4-2-1-3-5-10/h1-9H,(H,18,20)/b13-9-
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n/an/a 3.10E+3n/an/an/an/an/an/a



Institute of Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Plasmodium falciparum cyclin dependent protein kinase, Pfmrk


J Med Chem 46: 3877-82 (2003)


Article DOI: 10.1021/jm0300983
BindingDB Entry DOI: 10.7270/Q2028S9W
More data for this
Ligand-Target Pair
Protein kinase Pfmrk


(Plasmodium falciparum)
BDBM50154618
PNG
(5-Bromo-3-(2-oxo-2-phenyl-ethylidene)-1,3-dihydro-...)
Show SMILES Brc1ccc2NC(=O)\C(=C/C(=O)c3ccccc3)c2c1
Show InChI InChI=1S/C16H10BrNO2/c17-11-6-7-14-12(8-11)13(16(20)18-14)9-15(19)10-4-2-1-3-5-10/h1-9H,(H,18,20)/b13-9-
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n/an/a 3.10E+3n/an/an/an/an/an/a



Walter Reed Army Institute of Research

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum cyclin-dependent kinase


J Med Chem 47: 5418-26 (2004)


Article DOI: 10.1021/jm040108f
BindingDB Entry DOI: 10.7270/Q2BZ66TW
More data for this
Ligand-Target Pair
Protein kinase Pfmrk


(Plasmodium falciparum)
BDBM50409725
PNG
(CHEMBL1213804)
Show SMILES Brc1ccc(cc1)C(=O)\C=C1/C(=O)Nc2ccccc12
Show InChI InChI=1S/C16H10BrNO2/c17-11-7-5-10(6-8-11)15(19)9-13-12-3-1-2-4-14(12)18-16(13)20/h1-9H,(H,18,20)/b13-9-
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n/an/a 3.50E+3n/an/an/an/an/an/a



Institute of Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Plasmodium falciparum cyclin dependent protein kinase, Pfmrk


J Med Chem 46: 3877-82 (2003)


Article DOI: 10.1021/jm0300983
BindingDB Entry DOI: 10.7270/Q2028S9W
More data for this
Ligand-Target Pair
Protein kinase Pfmrk


(Plasmodium falciparum)
BDBM50154612
PNG
(3-Chloro-4b,9,10-triaza-benzo[b]fluorene-5,11-dion...)
Show SMILES Clc1ccc2C(=O)c3nc4ncccc4c(=O)n3-c2c1
Show InChI InChI=1S/C14H6ClN3O2/c15-7-3-4-8-10(6-7)18-13(11(8)19)17-12-9(14(18)20)2-1-5-16-12/h1-6H
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n/an/a 3.50E+3n/an/an/an/an/an/a



Walter Reed Army Institute of Research

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum cyclin-dependent kinase


J Med Chem 47: 5418-26 (2004)


Article DOI: 10.1021/jm040108f
BindingDB Entry DOI: 10.7270/Q2BZ66TW
More data for this
Ligand-Target Pair
Protein kinase Pfmrk


(Plasmodium falciparum)
BDBM50154596
PNG
(5-Methyl-3-(2-oxo-2-phenyl-ethylidene)-1,3-dihydro...)
Show SMILES Cc1ccc2NC(=O)\C(=C/C(=O)c3ccccc3)c2c1
Show InChI InChI=1S/C17H13NO2/c1-11-7-8-15-13(9-11)14(17(20)18-15)10-16(19)12-5-3-2-4-6-12/h2-10H,1H3,(H,18,20)/b14-10-
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n/an/a 3.60E+3n/an/an/an/an/an/a



Walter Reed Army Institute of Research

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum cyclin-dependent kinase


J Med Chem 47: 5418-26 (2004)


Article DOI: 10.1021/jm040108f
BindingDB Entry DOI: 10.7270/Q2BZ66TW
More data for this
Ligand-Target Pair
Protein kinase Pfmrk


(Plasmodium falciparum)
BDBM50059889
PNG
((staurosporine)3-methoxy-2-methyl-4-methylamino-(2...)
Show SMILES CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20?,26-,28+/m1/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



Walter Reed Army Institute of Research

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum cyclin-dependent kinase


J Med Chem 47: 5418-26 (2004)


Article DOI: 10.1021/jm040108f
BindingDB Entry DOI: 10.7270/Q2BZ66TW
More data for this
Ligand-Target Pair
Protein kinase Pfmrk


(Plasmodium falciparum)
BDBM50131991
PNG
(3-(2-Oxo-2-phenyl-ethylidene)-1,3-dihydro-indol-2-...)
Show SMILES O=C(\C=C1\C(=O)Nc2ccccc12)c1ccccc1
Show InChI InChI=1S/C16H11NO2/c18-15(11-6-2-1-3-7-11)10-13-12-8-4-5-9-14(12)17-16(13)19/h1-10H,(H,17,19)/b13-10+
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n/an/a 4.00E+3n/an/an/an/an/an/a



Institute of Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Plasmodium falciparum cyclin dependent protein kinase, Pfmrk


J Med Chem 46: 3877-82 (2003)


Article DOI: 10.1021/jm0300983
BindingDB Entry DOI: 10.7270/Q2028S9W
More data for this
Ligand-Target Pair
Protein kinase Pfmrk


(Plasmodium falciparum)
BDBM50059889
PNG
((staurosporine)3-methoxy-2-methyl-4-methylamino-(2...)
Show SMILES CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20?,26-,28+/m1/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



Institute of Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Plasmodium falciparum cyclin dependent protein kinase, Pfmrk


J Med Chem 46: 3877-82 (2003)


Article DOI: 10.1021/jm0300983
BindingDB Entry DOI: 10.7270/Q2028S9W
More data for this
Ligand-Target Pair
Protein kinase Pfmrk


(Plasmodium falciparum)
BDBM50154592
PNG
(3-(2-Oxo-2-phenyl-ethylidene)-1,3-dihydro-indol-2-...)
Show SMILES O=C(\C=C1/C(=O)Nc2ccccc12)c1ccccc1
Show InChI InChI=1S/C16H11NO2/c18-15(11-6-2-1-3-7-11)10-13-12-8-4-5-9-14(12)17-16(13)19/h1-10H,(H,17,19)/b13-10-
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n/an/a 4.00E+3n/an/an/an/an/an/a



Walter Reed Army Institute of Research

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum cyclin-dependent kinase


J Med Chem 47: 5418-26 (2004)


Article DOI: 10.1021/jm040108f
BindingDB Entry DOI: 10.7270/Q2BZ66TW
More data for this
Ligand-Target Pair
Protein kinase Pfmrk


(Plasmodium falciparum)
BDBM50132002
PNG
((E)-3-(4-(Trifluoromethyl)benzylidene)indolin-2-on...)
Show SMILES FC(F)(F)c1ccc(\C=C2\C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C16H10F3NO/c17-16(18,19)11-7-5-10(6-8-11)9-13-12-3-1-2-4-14(12)20-15(13)21/h1-9H,(H,20,21)/b13-9+
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n/an/a>4.30E+3n/an/an/an/an/an/a



Institute of Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Plasmodium falciparum cyclin dependent protein kinase, Pfmrk


J Med Chem 46: 3877-82 (2003)


Article DOI: 10.1021/jm0300983
BindingDB Entry DOI: 10.7270/Q2028S9W
More data for this
Ligand-Target Pair
Protein kinase Pfmrk


(Plasmodium falciparum)
BDBM50154616
PNG
(2-Fluoro-4b,9,10-triaza-benzo[b]fluorene-5,11-dion...)
Show SMILES Fc1ccc-2c(c1)C(=O)c1nc3ncccc3c(=O)n-21
Show InChI InChI=1S/C14H6FN3O2/c15-7-3-4-10-9(6-7)11(19)13-17-12-8(2-1-5-16-12)14(20)18(10)13/h1-6H
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n/an/a 4.70E+3n/an/an/an/an/an/a



Walter Reed Army Institute of Research

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum cyclin-dependent kinase


J Med Chem 47: 5418-26 (2004)


Article DOI: 10.1021/jm040108f
BindingDB Entry DOI: 10.7270/Q2BZ66TW
More data for this
Ligand-Target Pair
Protein kinase Pfmrk


(Plasmodium falciparum)
BDBM4291
PNG
((2-Oxo-3-indolinidene)malononitrile | 2-(2-oxo-2,3...)
Show SMILES O=C1Nc2ccccc2C1=C(C#N)C#N
Show InChI InChI=1S/C11H5N3O/c12-5-7(6-13)10-8-3-1-2-4-9(8)14-11(10)15/h1-4H,(H,14,15)
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n/an/a 5.10E+3n/an/an/an/an/an/a



Institute of Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Plasmodium falciparum cyclin dependent protein kinase, Pfmrk


J Med Chem 46: 3877-82 (2003)


Article DOI: 10.1021/jm0300983
BindingDB Entry DOI: 10.7270/Q2028S9W
More data for this
Ligand-Target Pair
Protein kinase Pfmrk


(Plasmodium falciparum)
BDBM22817
PNG
(5-nitro-2,3-dihydro-1H-indole-2,3-dione | CHEMBL11...)
Show SMILES [O-][N+](=O)c1ccc2NC(=O)C(=O)c2c1
Show InChI InChI=1S/C8H4N2O4/c11-7-5-3-4(10(13)14)1-2-6(5)9-8(7)12/h1-3H,(H,9,11,12)
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n/an/a 5.90E+3n/an/an/an/an/an/a



Walter Reed Army Institute of Research

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum cyclin-dependent kinase


J Med Chem 47: 5418-26 (2004)


Article DOI: 10.1021/jm040108f
BindingDB Entry DOI: 10.7270/Q2BZ66TW
More data for this
Ligand-Target Pair
Protein kinase Pfmrk


(Plasmodium falciparum)
BDBM7458
PNG
(5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H
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n/an/a 7.00E+3n/an/an/an/an/an/a



Walter Reed Army Institute of Research

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum cyclin-dependent kinase


J Med Chem 47: 5418-26 (2004)


Article DOI: 10.1021/jm040108f
BindingDB Entry DOI: 10.7270/Q2BZ66TW
More data for this
Ligand-Target Pair
Protein kinase Pfmrk


(Plasmodium falciparum)
BDBM50278069
PNG
(1-(4-methoxyphenyl)-3-(pyridin-4-yl)prop-2-en-1-on...)
Show SMILES COc1ccc(cc1)C(=O)\C=C\c1ccncc1
Show InChI InChI=1S/C15H13NO2/c1-18-14-5-3-13(4-6-14)15(17)7-2-12-8-10-16-11-9-12/h2-11H,1H3/b7-2+
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n/an/a 8.20E+3n/an/an/an/an/an/a



Institute of Research

Curated by ChEMBL


Assay Description
Inhibition of His6x-tagged Plasmodium falciparum Pfmrk expressed in Escherichia coli by microtiter plate scintillation counting


Bioorg Med Chem Lett 19: 1982-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.042
BindingDB Entry DOI: 10.7270/Q2P26Z1T
More data for this
Ligand-Target Pair
Protein kinase Pfmrk


(Plasmodium falciparum)
BDBM50278194
PNG
(3-(pyridin-4-yl)-1-(2,3,4-trimethoxyphenyl)prop-2-...)
Show SMILES COc1ccc(C(=O)\C=C\c2ccncc2)c(OC)c1OC
Show InChI InChI=1S/C17H17NO4/c1-20-15-7-5-13(16(21-2)17(15)22-3)14(19)6-4-12-8-10-18-11-9-12/h4-11H,1-3H3/b6-4+
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n/an/a 9.00E+3n/an/an/an/an/an/a



Institute of Research

Curated by ChEMBL


Assay Description
Inhibition of His6x-tagged Plasmodium falciparum Pfmrk expressed in Escherichia coli by microtiter plate scintillation counting


Bioorg Med Chem Lett 19: 1982-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.042
BindingDB Entry DOI: 10.7270/Q2P26Z1T
More data for this
Ligand-Target Pair
Protein kinase Pfmrk


(Plasmodium falciparum)
BDBM50154604
PNG
((E)-1-(3-Nitro-phenyl)-3-phenyl-propenone | 1-(3-n...)
Show SMILES [O-][N+](=O)c1cccc(c1)C(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C15H11NO3/c17-15(10-9-12-5-2-1-3-6-12)13-7-4-8-14(11-13)16(18)19/h1-11H/b10-9+
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n/an/a 1.00E+4n/an/an/an/an/an/a



Institute of Research

Curated by ChEMBL


Assay Description
Inhibition of His6x-tagged Plasmodium falciparum Pfmrk expressed in Escherichia coli by microtiter plate scintillation counting


Bioorg Med Chem Lett 19: 1982-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.042
BindingDB Entry DOI: 10.7270/Q2P26Z1T
More data for this
Ligand-Target Pair
Protein kinase Pfmrk


(Plasmodium falciparum)
BDBM50151366
PNG
((2-Chloro-6-methyl-phenyl)-[8-((S)-3-methyl-pipera...)
Show SMILES C[C@H]1CN(CCN1)c1ccc2nc(Nc3c(C)cccc3Cl)c3cncn3c2n1
Show InChI InChI=1S/C21H22ClN7/c1-13-4-3-5-15(22)19(13)27-20-17-10-23-12-29(17)21-16(25-20)6-7-18(26-21)28-9-8-24-14(2)11-28/h3-7,10,12,14,24H,8-9,11H2,1-2H3,(H,25,27)/t14-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Cyclin-dependent kinase


J Med Chem 47: 4517-29 (2004)


Article DOI: 10.1021/jm030217e
BindingDB Entry DOI: 10.7270/Q2R210VQ
More data for this
Ligand-Target Pair
Protein kinase Pfmrk


(Plasmodium falciparum)
BDBM50154597
PNG
(1-(2,4-Dichloro-benzoyl)-3-(2-hydroxy-5-nitro-phen...)
Show SMILES Oc1ccc(cc1NC([S-])=[NH+]C(=O)c1ccc(Cl)cc1Cl)[N+]([O-])=O
Show InChI InChI=1S/C14H9Cl2N3O4S/c15-7-1-3-9(10(16)5-7)13(21)18-14(24)17-11-6-8(19(22)23)2-4-12(11)20/h1-6,20H,(H2,17,18,21,24)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Walter Reed Army Institute of Research

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum cyclin-dependent kinase


J Med Chem 47: 5418-26 (2004)


Article DOI: 10.1021/jm040108f
BindingDB Entry DOI: 10.7270/Q2BZ66TW
More data for this
Ligand-Target Pair
Protein kinase Pfmrk


(Plasmodium falciparum)
BDBM50154604
PNG
((E)-1-(3-Nitro-phenyl)-3-phenyl-propenone | 1-(3-n...)
Show SMILES [O-][N+](=O)c1cccc(c1)C(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C15H11NO3/c17-15(10-9-12-5-2-1-3-6-12)13-7-4-8-14(11-13)16(18)19/h1-11H/b10-9+
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n/an/a 1.00E+4n/an/an/an/an/an/a



Walter Reed Army Institute of Research

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum cyclin-dependent kinase


J Med Chem 47: 5418-26 (2004)


Article DOI: 10.1021/jm040108f
BindingDB Entry DOI: 10.7270/Q2BZ66TW
More data for this
Ligand-Target Pair
Protein kinase Pfmrk


(Plasmodium falciparum)
BDBM50154621
PNG
(4-((E)-2,4-Dihydroxy-phenylazo)-3-hydroxy-naphthal...)
Show SMILES Oc1ccc(N=Nc2c(O)cc(c3ccccc23)S(O)(=O)=O)c(O)c1
Show InChI InChI=1S/C16H12N2O6S/c19-9-5-6-12(13(20)7-9)17-18-16-11-4-2-1-3-10(11)15(8-14(16)21)25(22,23)24/h1-8,19-21H,(H,22,23,24)
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n/an/a 1.10E+4n/an/an/an/an/an/a



Walter Reed Army Institute of Research

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum cyclin-dependent kinase


J Med Chem 47: 5418-26 (2004)


Article DOI: 10.1021/jm040108f
BindingDB Entry DOI: 10.7270/Q2BZ66TW
More data for this
Ligand-Target Pair
Protein kinase Pfmrk


(Plasmodium falciparum)
BDBM50321442
PNG
(2,5-dichloro-N-(4-chloro-2-methylphenyl)benzenesul...)
Show SMILES Cc1cc(Cl)ccc1NS(=O)(=O)c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C13H10Cl3NO2S/c1-8-6-9(14)3-5-12(8)17-20(18,19)13-7-10(15)2-4-11(13)16/h2-7,17H,1H3
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n/an/a 1.10E+4n/an/an/an/an/an/a



Walter Reed Army Institute of Research

Curated by ChEMBL


Assay Description
Inhibition of His6x-tagged Plasmodium falciparum Pfmrk expressed in Escherichia coli by microtiter plate scintillation counting


Bioorg Med Chem Lett 20: 3863-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.039
BindingDB Entry DOI: 10.7270/Q2F47Q3Q
More data for this
Ligand-Target Pair
Protein kinase Pfmrk


(Plasmodium falciparum)
BDBM50278866
PNG
(1-(4-methoxyphenyl)-3-(pyridin-2-yl)prop-2-en-1-on...)
Show SMILES COc1ccc(cc1)C(=O)\C=C\c1ccccn1
Show InChI InChI=1S/C15H13NO2/c1-18-14-8-5-12(6-9-14)15(17)10-7-13-4-2-3-11-16-13/h2-11H,1H3/b10-7+
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n/an/a 1.20E+4n/an/an/an/an/an/a



Institute of Research

Curated by ChEMBL


Assay Description
Inhibition of His6x-tagged Plasmodium falciparum Pfmrk expressed in Escherichia coli by microtiter plate scintillation counting


Bioorg Med Chem Lett 19: 1982-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.042
BindingDB Entry DOI: 10.7270/Q2P26Z1T
More data for this
Ligand-Target Pair
Protein kinase Pfmrk


(Plasmodium falciparum)
BDBM50022889
PNG
((2,8-Bis-trifluoromethyl-quinolin-4-yl)-(1-methyl-...)
Show SMILES OC(C1CCCCN1)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H16F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h3-5,8,12,15,24,26H,1-2,6-7H2
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n/an/a 1.20E+4n/an/an/an/an/an/a



Walter Reed Army Institute of Research

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum cyclin-dependent kinase


J Med Chem 47: 5418-26 (2004)


Article DOI: 10.1021/jm040108f
BindingDB Entry DOI: 10.7270/Q2BZ66TW
More data for this
Ligand-Target Pair
Protein kinase Pfmrk


(Plasmodium falciparum)
BDBM50321444
PNG
(4-chloro-N-(3-(trifluoromethyl)phenyl)benzenesulfo...)
Show SMILES FC(F)(F)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C13H9ClF3NO2S/c14-10-4-6-12(7-5-10)21(19,20)18-11-3-1-2-9(8-11)13(15,16)17/h1-8,18H
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n/an/a 1.31E+4n/an/an/an/an/an/a



Walter Reed Army Institute of Research

Curated by ChEMBL


Assay Description
Inhibition of His6x-tagged Plasmodium falciparum Pfmrk expressed in Escherichia coli by microtiter plate scintillation counting


Bioorg Med Chem Lett 20: 3863-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.039
BindingDB Entry DOI: 10.7270/Q2F47Q3Q
More data for this
Ligand-Target Pair
Protein kinase Pfmrk


(Plasmodium falciparum)
BDBM50154605
PNG
((4-Chloro-phenyl)-[3-(4-chloro-phenyl)-2,4-dioxo-o...)
Show SMILES Clc1ccc(cc1)N1C(=O)O\C(=C(/C#N)c2ccc(Cl)cc2)C1=O
Show InChI InChI=1S/C17H8Cl2N2O3/c18-11-3-1-10(2-4-11)14(9-20)15-16(22)21(17(23)24-15)13-7-5-12(19)6-8-13/h1-8H/b15-14+
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n/an/a 1.40E+4n/an/an/an/an/an/a



Walter Reed Army Institute of Research

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum cyclin-dependent kinase


J Med Chem 47: 5418-26 (2004)


Article DOI: 10.1021/jm040108f
BindingDB Entry DOI: 10.7270/Q2BZ66TW
More data for this
Ligand-Target Pair
Protein kinase Pfmrk


(Plasmodium falciparum)
BDBM50321450
PNG
(2,5-dichloro-N-phenylthiophene-3-sulfonamide | CHE...)
Show SMILES Clc1cc(c(Cl)s1)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C10H7Cl2NO2S2/c11-9-6-8(10(12)16-9)17(14,15)13-7-4-2-1-3-5-7/h1-6,13H
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n/an/a 1.49E+4n/an/an/an/an/an/a



Walter Reed Army Institute of Research

Curated by ChEMBL


Assay Description
Inhibition of His6x-tagged Plasmodium falciparum Pfmrk expressed in Escherichia coli by microtiter plate scintillation counting


Bioorg Med Chem Lett 20: 3863-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.039
BindingDB Entry DOI: 10.7270/Q2F47Q3Q
More data for this
Ligand-Target Pair
Protein kinase Pfmrk


(Plasmodium falciparum)
BDBM7266
PNG
(14-bromo-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,...)
Show SMILES Brc1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1
Show InChI InChI=1S/C16H11BrN2O/c17-9-5-6-14-11(7-9)12-8-15(20)18-13-4-2-1-3-10(13)16(12)19-14/h1-7,19H,8H2,(H,18,20)
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n/an/a 1.50E+4n/an/an/an/an/an/a



Institute of Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Plasmodium falciparum cyclin dependent protein kinase, Pfmrk


J Med Chem 46: 3877-82 (2003)


Article DOI: 10.1021/jm0300983
BindingDB Entry DOI: 10.7270/Q2028S9W
More data for this
Ligand-Target Pair
Protein kinase Pfmrk


(Plasmodium falciparum)
BDBM7266
PNG
(14-bromo-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,...)
Show SMILES Brc1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1
Show InChI InChI=1S/C16H11BrN2O/c17-9-5-6-14-11(7-9)12-8-15(20)18-13-4-2-1-3-10(13)16(12)19-14/h1-7,19H,8H2,(H,18,20)
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n/an/a 1.50E+4n/an/an/an/an/an/a



Walter Reed Army Institute of Research

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum cyclin-dependent kinase


J Med Chem 47: 5418-26 (2004)


Article DOI: 10.1021/jm040108f
BindingDB Entry DOI: 10.7270/Q2BZ66TW
More data for this
Ligand-Target Pair
Protein kinase Pfmrk


(Plasmodium falciparum)
BDBM50321441
PNG
(5-chloro-N-(3,4-dichlorophenyl)-2-methylbenzenesul...)
Show SMILES Cc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C13H10Cl3NO2S/c1-8-2-3-9(14)6-13(8)20(18,19)17-10-4-5-11(15)12(16)7-10/h2-7,17H,1H3
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n/an/a 1.51E+4n/an/an/an/an/an/a



Walter Reed Army Institute of Research

Curated by ChEMBL


Assay Description
Inhibition of His6x-tagged Plasmodium falciparum Pfmrk expressed in Escherichia coli by microtiter plate scintillation counting


Bioorg Med Chem Lett 20: 3863-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.039
BindingDB Entry DOI: 10.7270/Q2F47Q3Q
More data for this
Ligand-Target Pair
Protein kinase Pfmrk


(Plasmodium falciparum)
BDBM50321440
PNG
(4-bromo-N-(3-chloro-4-methylphenyl)benzenesulfonam...)
Show SMILES Cc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1Cl
Show InChI InChI=1S/C13H11BrClNO2S/c1-9-2-5-11(8-13(9)15)16-19(17,18)12-6-3-10(14)4-7-12/h2-8,16H,1H3
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n/an/a 1.59E+4n/an/an/an/an/an/a



Walter Reed Army Institute of Research

Curated by ChEMBL


Assay Description
Inhibition of His6x-tagged Plasmodium falciparum Pfmrk expressed in Escherichia coli by microtiter plate scintillation counting


Bioorg Med Chem Lett 20: 3863-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.039
BindingDB Entry DOI: 10.7270/Q2F47Q3Q
More data for this
Ligand-Target Pair
Protein kinase Pfmrk


(Plasmodium falciparum)
BDBM50321445
PNG
(4-(trifluoromethyl)-N-(4-(trifluoromethyl)phenyl)b...)
Show SMILES FC(F)(F)c1ccc(NS(=O)(=O)c2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C14H9F6NO2S/c15-13(16,17)9-1-5-11(6-2-9)21-24(22,23)12-7-3-10(4-8-12)14(18,19)20/h1-8,21H
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n/an/a 1.65E+4n/an/an/an/an/an/a



Walter Reed Army Institute of Research

Curated by ChEMBL


Assay Description
Inhibition of His6x-tagged Plasmodium falciparum Pfmrk expressed in Escherichia coli by microtiter plate scintillation counting


Bioorg Med Chem Lett 20: 3863-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.039
BindingDB Entry DOI: 10.7270/Q2F47Q3Q
More data for this
Ligand-Target Pair
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