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Compile Data Set for Download or QSAR

Found 46 hits Enz. Inhib. hit(s) with all data for entry = 50037476   
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
MO15-related 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
MO15-related 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
MO15-related 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
MO15-related 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
MO15-related 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
MO15-related 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
MO15-related 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
MO15-related 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
MO15-related 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
MO15-related 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
MO15-related 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
MO15-related 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
MO15-related 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 |w:10.11|
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
MO15-related 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
MO15-related 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 |w:5.4|
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
MO15-related 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
MO15-related 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
MO15-related 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
MO15-related protein kinase Pfmrk


(Plasmodium falciparum)
BDBM50049770
PNG
(2-[1-Pyridin-2-yl-meth-(E)-ylidene]-3,4-dihydro-2H...)
Show SMILES O=C1\C(CCc2ccccc12)=C\c1ccccn1
Show InChI InChI=1S/C16H13NO/c18-16-13(11-14-6-3-4-10-17-14)9-8-12-5-1-2-7-15(12)16/h1-7,10-11H,8-9H2/b13-11+
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n/an/a 1.70E+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
MO15-related protein kinase Pfmrk


(Plasmodium falciparum)
BDBM50154614
PNG
(CHEMBL187926 | N-(4-cinnamoylphenyl)acetamide | N-...)
Show SMILES CC(=O)Nc1ccc(cc1)C(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C17H15NO2/c1-13(19)18-16-10-8-15(9-11-16)17(20)12-7-14-5-3-2-4-6-14/h2-12H,1H3,(H,18,19)/b12-7+
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n/an/a 1.70E+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
MO15-related protein kinase Pfmrk


(Plasmodium falciparum)
BDBM50132005
PNG
(5-Methoxy-3-(4-oxo-2-thioxo-thiazolidin-5-ylidene)...)
Show SMILES COc1ccc2NC(=O)C(=C3SC(S)=NC3=O)c2c1 |w:10.15,c:13|
Show InChI InChI=1S/C12H8N2O3S2/c1-17-5-2-3-7-6(4-5)8(10(15)13-7)9-11(16)14-12(18)19-9/h2-4H,1H3,(H,13,15)(H,14,16,18)
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n/an/a 1.71E+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
MO15-related protein kinase Pfmrk


(Plasmodium falciparum)
BDBM50105767
PNG
(3-[3-(2-Hydroxy-ethoxy)-phenyl]-1H-quinolin-2-one ...)
Show SMILES OCCOc1cccc(c1)-c1cc2ccccc2[nH]c1=O
Show InChI InChI=1S/C17H15NO3/c19-8-9-21-14-6-3-5-12(10-14)15-11-13-4-1-2-7-16(13)18-17(15)20/h1-7,10-11,19H,8-9H2,(H,18,20)
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n/an/a 1.80E+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
MO15-related protein kinase Pfmrk


(Plasmodium falciparum)
BDBM50154607
PNG
((E)-1-(4-Nitro-phenyl)-3-pyridin-2-yl-propenone | ...)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)\C=C\c1ccccn1
Show InChI InChI=1S/C14H10N2O3/c17-14(9-6-12-3-1-2-10-15-12)11-4-7-13(8-5-11)16(18)19/h1-10H/b9-6+
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n/an/a 1.80E+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
MO15-related protein kinase Pfmrk


(Plasmodium falciparum)
BDBM2683
PNG
(2-[1-(3-dimethylaminopropyl)-indol-3-yl]-3-(indol-...)
Show SMILES CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:9|
Show InChI InChI=1S/C25H24N4O2/c1-28(2)12-7-13-29-15-19(17-9-4-6-11-21(17)29)23-22(24(30)27-25(23)31)18-14-26-20-10-5-3-8-16(18)20/h3-6,8-11,14-15,26H,7,12-13H2,1-2H3,(H,27,30,31)
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n/an/a 2.40E+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
MO15-related protein kinase Pfmrk


(Plasmodium falciparum)
BDBM50154593
PNG
(3,9,11-Trichloro-5,6-dihydro-benzo[c]acridine-7-ca...)
Show SMILES ClC(=O)c1c2CCc3cc(Cl)ccc3-c2nc2c(Cl)cc(Cl)cc12
Show InChI InChI=1S/C18H9Cl4NO/c19-9-2-4-11-8(5-9)1-3-12-15(18(22)24)13-6-10(20)7-14(21)17(13)23-16(11)12/h2,4-7H,1,3H2
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n/an/a 2.50E+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
MO15-related protein kinase Pfmrk


(Plasmodium falciparum)
BDBM50154615
PNG
(2-[6-(3-Chloro-phenylamino)-9-isopropyl-9H-purin-2...)
Show SMILES CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(NC(C)(C)CO)nc12
Show InChI InChI=1S/C18H23ClN6O/c1-11(2)25-10-20-14-15(21-13-7-5-6-12(19)8-13)22-17(23-16(14)25)24-18(3,4)9-26/h5-8,10-11,26H,9H2,1-4H3,(H2,21,22,23,24)
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n/an/a 2.60E+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
MO15-related protein kinase Pfmrk


(Plasmodium falciparum)
BDBM50154609
PNG
(1-Methyl-3-[2-oxo-2-phenyl-eth-(Z)-ylidene]-1,3-di...)
Show SMILES CN1C(=O)\C(=C/C(=O)c2ccccc2)c2ccccc12
Show InChI InChI=1S/C17H13NO2/c1-18-15-10-6-5-9-13(15)14(17(18)20)11-16(19)12-7-3-2-4-8-12/h2-11H,1H3/b14-11-
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n/an/a 2.90E+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
MO15-related protein kinase Pfmrk


(Plasmodium falciparum)
BDBM50132003
PNG
((Z)-1H,1''H-[2,3'']Biindolylidene-3,2''-dione 3-ox...)
Show SMILES Oc1[nH]c2ccccc2c1-c1[nH]c2ccccc2c1N=O |(1.71,2.82,;2.18,1.35,;3.65,.86,;3.62,-.68,;4.77,-1.7,;4.44,-3.2,;2.97,-3.66,;1.85,-2.62,;2.18,-1.13,;1.27,.12,;-.27,.12,;-1.18,-1.12,;-2.65,-.64,;-3.96,-1.41,;-5.29,-.64,;-5.29,.9,;-3.96,1.68,;-2.63,.9,;-1.16,1.38,;-.69,2.84,;-1.7,3.98,)|
Show InChI InChI=1S/C16H11N3O2/c20-16-13(9-5-1-3-7-11(9)18-16)15-14(19-21)10-6-2-4-8-12(10)17-15/h1-8,17-18,20H
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n/an/a 3.00E+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
MO15-related protein kinase Pfmrk


(Plasmodium falciparum)
BDBM50154600
PNG
(5-[5-Fluoro-2-oxo-1,2-dihydro-indol-(3Z)-ylidene]-...)
Show SMILES Fc1ccc2NC(=O)\C(=C3/SC(=O)NC3=O)c2c1
Show InChI InChI=1S/C11H5FN2O3S/c12-4-1-2-6-5(3-4)7(9(15)13-6)8-10(16)14-11(17)18-8/h1-3H,(H,13,15)(H,14,16,17)/b8-7-
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n/an/a 3.00E+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
MO15-related protein kinase Pfmrk


(Plasmodium falciparum)
BDBM50154617
PNG
(3-[1-(2-Hydroxy-phenyl)-meth-(Z)-ylidene]-5-nitro-...)
Show SMILES Oc1ccccc1\C=C1/C(=O)Nc2ccc(cc12)[N+]([O-])=O
Show InChI InChI=1S/C15H10N2O4/c18-14-4-2-1-3-9(14)7-12-11-8-10(17(20)21)5-6-13(11)16-15(12)19/h1-8,18H,(H,16,19)/b12-7-
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n/an/a 3.50E+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
MO15-related protein kinase Pfmrk


(Plasmodium falciparum)
BDBM50154603
PNG
(2-{(2-Hydroxy-ethyl)-[5-(4-methoxy-phenyl)-[1,3,4]...)
Show SMILES COc1ccc(cc1)-c1nnc(o1)N(CCO)CCO
Show InChI InChI=1S/C13H17N3O4/c1-19-11-4-2-10(3-5-11)12-14-15-13(20-12)16(6-8-17)7-9-18/h2-5,17-18H,6-9H2,1H3
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n/an/a 3.58E+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
MO15-related protein kinase Pfmrk


(Plasmodium falciparum)
BDBM50154613
PNG
(2-Chloro-N-(4-chloro-benzothiazol-2-yl)-acetamide ...)
Show SMILES ClCC(=O)Nc1nc2c(Cl)cccc2s1
Show InChI InChI=1S/C9H6Cl2N2OS/c10-4-7(14)12-9-13-8-5(11)2-1-3-6(8)15-9/h1-3H,4H2,(H,12,13,14)
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n/an/a 3.80E+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
MO15-related protein kinase Pfmrk


(Plasmodium falciparum)
BDBM50154613
PNG
(2-Chloro-N-(4-chloro-benzothiazol-2-yl)-acetamide ...)
Show SMILES ClCC(=O)Nc1nc2c(Cl)cccc2s1
Show InChI InChI=1S/C9H6Cl2N2OS/c10-4-7(14)12-9-13-8-5(11)2-1-3-6(8)15-9/h1-3H,4H2,(H,12,13,14)
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n/an/a 3.83E+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
MO15-related protein kinase Pfmrk


(Plasmodium falciparum)
BDBM50154606
PNG
(2-Amino-2-methyl-1-(1-methyl-1H-indol-3-yl)-propan...)
Show SMILES Cn1cc(C(=O)C(C)(C)N)c2ccccc12
Show InChI InChI=1S/C13H16N2O/c1-13(2,14)12(16)10-8-15(3)11-7-5-4-6-9(10)11/h4-8H,14H2,1-3H3
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n/an/a 4.62E+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
MO15-related protein kinase Pfmrk


(Plasmodium falciparum)
BDBM7262
PNG
(14-nitro-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,...)
Show SMILES [O-][N+](=O)c1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1
Show InChI InChI=1S/C16H11N3O3/c20-15-8-12-11-7-9(19(21)22)5-6-14(11)18-16(12)10-3-1-2-4-13(10)17-15/h1-7,18H,8H2,(H,17,20)
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n/an/a 5.10E+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
MO15-related protein kinase Pfmrk


(Plasmodium falciparum)
BDBM50154599
PNG
((Z)-2-(4-Nitro-benzoyl)-3-pyridin-2-yl-acrylic aci...)
Show SMILES CCOC(=O)C(=C/c1ccccn1)\C(=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C17H14N2O5/c1-2-24-17(21)15(11-13-5-3-4-10-18-13)16(20)12-6-8-14(9-7-12)19(22)23/h3-11H,2H2,1H3/b15-11-
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n/an/a 6.10E+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
MO15-related protein kinase Pfmrk


(Plasmodium falciparum)
BDBM50154594
PNG
(CHEMBL187676 | N-(4-Chloro-2-methyl-phenyl)-3-nitr...)
Show SMILES Cc1cc(Cl)ccc1NC(=O)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C14H11ClN2O3/c1-9-7-11(15)5-6-13(9)16-14(18)10-3-2-4-12(8-10)17(19)20/h2-8H,1H3,(H,16,18)
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n/an/a 6.90E+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
MO15-related protein kinase Pfmrk


(Plasmodium falciparum)
BDBM50154601
PNG
((3-Oxo-1-phenyl-1,3-dihydro-isobenzofuran-1-yl)-th...)
Show SMILES NC(=S)NC1(OC(=O)c2ccccc12)c1ccccc1
Show InChI InChI=1S/C15H12N2O2S/c16-14(20)17-15(10-6-2-1-3-7-10)12-9-5-4-8-11(12)13(18)19-15/h1-9H,(H3,16,17,20)
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n/an/a 7.00E+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
MO15-related protein kinase Pfmrk


(Plasmodium falciparum)
BDBM50154610
PNG
(2-Chloro-5-nitro-benzoic acid ethyl ester | CHEMBL...)
Show SMILES CCOC(=O)c1cc(ccc1Cl)[N+]([O-])=O
Show InChI InChI=1S/C9H8ClNO4/c1-2-15-9(12)7-5-6(11(13)14)3-4-8(7)10/h3-5H,2H2,1H3
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n/an/a 8.70E+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
MO15-related protein kinase Pfmrk


(Plasmodium falciparum)
BDBM19459
PNG
(5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one...)
Show SMILES Oc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H
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n/an/a 9.30E+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
MO15-related 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 1.38E+5n/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
MO15-related protein kinase Pfmrk


(Plasmodium falciparum)
BDBM22985
PNG
(Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...)
Show SMILES CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12
Show InChI InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21)
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n/an/a 1.50E+5n/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
MO15-related protein kinase Pfmrk


(Plasmodium falciparum)
BDBM15236
PNG
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H
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n/an/a 1.57E+5n/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
MO15-related protein kinase Pfmrk


(Plasmodium falciparum)
BDBM50154602
PNG
(2-Hydrazino-3-(1H-indol-3-yl)-propionic acid | CHE...)
Show SMILES NNC(Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C11H13N3O2/c12-14-10(11(15)16)5-7-6-13-9-4-2-1-3-8(7)9/h1-4,6,10,13-14H,5,12H2,(H,15,16)
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n/an/a 1.82E+5n/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
MO15-related protein kinase Pfmrk


(Plasmodium falciparum)
BDBM50154608
PNG
(5-Methyl-4-nitro-3-phenyl-4,5-dihydro-1H-pyrazole ...)
Show SMILES CC1N=NC(C1[N+]([O-])=O)c1ccccc1 |c:2|
Show InChI InChI=1S/C10H11N3O2/c1-7-10(13(14)15)9(12-11-7)8-5-3-2-4-6-8/h2-7,9-10H,1H3
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n/an/a 3.94E+5n/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
MO15-related protein kinase Pfmrk


(Plasmodium falciparum)
BDBM5718
PNG
(2,6,9-Trisubstituted purine deriv. 26 | 2-{[6-(ben...)
Show SMILES Cn1cnc2c(NCc3ccccc3)nc(NCCO)nc12
Show InChI InChI=1S/C15H18N6O/c1-21-10-18-12-13(17-9-11-5-3-2-4-6-11)19-15(16-7-8-22)20-14(12)21/h2-6,10,22H,7-9H2,1H3,(H2,16,17,19,20)
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Article
PubMed
n/an/a 1.10E+6n/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