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Compile Data Set for Download or QSAR

Found 230 hits with Last Name = 'brannigan' and Initial = 'ja'   
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
Glycylpeptide N-tetradecanoyltransferase


(Plasmodium falciparum (isolate 3D7))
BDBM50496902
PNG
(CHEMBL3237438)
Show SMILES Cc1nn(C)c(C)c1Cc1nnc(o1)-c1sc2ccccc2c1OC1CCNCC1
Show InChI InChI=1S/C22H25N5O2S/c1-13-17(14(2)27(3)26-13)12-19-24-25-22(29-19)21-20(28-15-8-10-23-11-9-15)16-6-4-5-7-18(16)30-21/h4-7,15,23H,8-12H2,1-3H3
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8n/an/an/an/an/an/an/an/a



Imperial College

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum N-myristoyltransferase by CPM fluorescence assay


J Med Chem 57: 2773-88 (2014)


Article DOI: 10.1021/jm500066b
BindingDB Entry DOI: 10.7270/Q27084DV
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase


(Plasmodium falciparum (isolate 3D7))
BDBM50496912
PNG
(CHEMBL3237422)
Show SMILES COc1cc(Cc2noc(n2)-c2sc3ccccc3c2OC2CCNCC2)cc(OC)c1
Show InChI InChI=1S/C24H25N3O4S/c1-28-17-11-15(12-18(14-17)29-2)13-21-26-24(31-27-21)23-22(30-16-7-9-25-10-8-16)19-5-3-4-6-20(19)32-23/h3-6,11-12,14,16,25H,7-10,13H2,1-2H3
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15n/an/an/an/an/an/an/an/a



Imperial College

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum N-myristoyltransferase by CPM fluorescence assay


J Med Chem 57: 2773-88 (2014)


Article DOI: 10.1021/jm500066b
BindingDB Entry DOI: 10.7270/Q27084DV
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase


(Plasmodium falciparum (isolate 3D7))
BDBM50496896
PNG
(CHEMBL3237425)
Show SMILES COc1cc(Cc2nc(no2)-c2sc3ccccc3c2OC2CCNCC2)cc(OC)c1
Show InChI InChI=1S/C24H25N3O4S/c1-28-17-11-15(12-18(14-17)29-2)13-21-26-24(27-31-21)23-22(30-16-7-9-25-10-8-16)19-5-3-4-6-20(19)32-23/h3-6,11-12,14,16,25H,7-10,13H2,1-2H3
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15n/an/an/an/an/an/an/an/a



Imperial College

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum N-myristoyltransferase by CPM fluorescence assay


J Med Chem 57: 2773-88 (2014)


Article DOI: 10.1021/jm500066b
BindingDB Entry DOI: 10.7270/Q27084DV
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50148269
PNG
(CHEMBL3770219)
Show SMILES Cc1nn(C)c(C)c1Cc1nnc(o1)-c1cc(Cl)ccc1OC1CCNCC1
Show InChI InChI=1S/C20H24ClN5O2/c1-12-16(13(2)26(3)25-12)11-19-23-24-20(28-19)17-10-14(21)4-5-18(17)27-15-6-8-22-9-7-15/h4-5,10,15,22H,6-9,11H2,1-3H3
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20n/an/an/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Binding affinity to human N-myristoyltransferase by fluorescence analysis


Medchemcomm 6: 1761-1766 (2016)


BindingDB Entry DOI: 10.7270/Q2TB18R2
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50135488
PNG
(CHEMBL3754571)
Show SMILES C(c1noc(n1)-c1cccnc1OC1CCNCC1)c1cccc2ncccc12
Show InChI InChI=1S/C22H21N5O2/c1-4-15(17-5-2-10-24-19(17)7-1)14-20-26-22(29-27-20)18-6-3-11-25-21(18)28-16-8-12-23-13-9-16/h1-7,10-11,16,23H,8-9,12-14H2
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24n/an/an/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of human NMT1 by 7-diethylamine-3-(4'maleimidylphenyl)-4-methylcoumarin based fluorescence assay


Medchemcomm 6: 1767-1772 (2016)


BindingDB Entry DOI: 10.7270/Q27M09RK
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase


(Plasmodium falciparum (isolate 3D7))
BDBM50496904
PNG
(CHEMBL3237412)
Show SMILES COc1cc(CCOC(=O)c2sc3ccccc3c2OC2CCNCC2)cc(OC)c1
Show InChI InChI=1S/C24H27NO5S/c1-27-18-13-16(14-19(15-18)28-2)9-12-29-24(26)23-22(30-17-7-10-25-11-8-17)20-5-3-4-6-21(20)31-23/h3-6,13-15,17,25H,7-12H2,1-2H3
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26n/an/an/an/an/an/an/an/a



Imperial College

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum N-myristoyltransferase by CPM fluorescence assay


J Med Chem 57: 2773-88 (2014)


Article DOI: 10.1021/jm500066b
BindingDB Entry DOI: 10.7270/Q27084DV
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50027680
PNG
(CHEMBL3357975)
Show SMILES N[C@@H](CC(=O)N1C[C@H](CO)[C@H](C1)c1ccc(Cl)c(NC(=O)Cc2ccc(F)cc2)c1)Cc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C29H30Cl2FN3O3/c30-22-6-1-18(2-7-22)11-24(33)14-29(38)35-15-21(17-36)25(16-35)20-5-10-26(31)27(13-20)34-28(37)12-19-3-8-23(32)9-4-19/h1-10,13,21,24-25,36H,11-12,14-17,33H2,(H,34,37)/t21-,24-,25-/m1/s1
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27n/an/an/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of human NMT1 using GSNKSKPKDASQRRR-NH2 as substrate by CPM fluorescence assay


J Med Chem 57: 8664-70 (2014)


Article DOI: 10.1021/jm5011397
BindingDB Entry DOI: 10.7270/Q2X63PJN
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase


(Plasmodium falciparum (isolate 3D7))
BDBM50496914
PNG
(CHEMBL3237428)
Show SMILES COc1cccc(Cc2nnc(o2)-c2sc3ccccc3c2OC2CCNCC2)c1
Show InChI InChI=1S/C23H23N3O3S/c1-27-17-6-4-5-15(13-17)14-20-25-26-23(29-20)22-21(28-16-9-11-24-12-10-16)18-7-2-3-8-19(18)30-22/h2-8,13,16,24H,9-12,14H2,1H3
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33n/an/an/an/an/an/an/an/a



Imperial College

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum N-myristoyltransferase by CPM fluorescence assay


J Med Chem 57: 2773-88 (2014)


Article DOI: 10.1021/jm500066b
BindingDB Entry DOI: 10.7270/Q27084DV
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase


(Plasmodium falciparum (isolate 3D7))
BDBM50496921
PNG
(CHEMBL3237424)
Show SMILES COc1cccc(Cc2nc(no2)-c2sc3ccccc3c2OC2CCNCC2)c1
Show InChI InChI=1S/C23H23N3O3S/c1-27-17-6-4-5-15(13-17)14-20-25-23(26-29-20)22-21(28-16-9-11-24-12-10-16)18-7-2-3-8-19(18)30-22/h2-8,13,16,24H,9-12,14H2,1H3
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50n/an/an/an/an/an/an/an/a



Imperial College

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum N-myristoyltransferase by CPM fluorescence assay


J Med Chem 57: 2773-88 (2014)


Article DOI: 10.1021/jm500066b
BindingDB Entry DOI: 10.7270/Q27084DV
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase


(Plasmodium falciparum (isolate 3D7))
BDBM50496911
PNG
(CHEMBL3237420)
Show SMILES COc1cccc(Cc2noc(n2)-c2sc3ccccc3c2OC2CCNCC2)c1
Show InChI InChI=1S/C23H23N3O3S/c1-27-17-6-4-5-15(13-17)14-20-25-23(29-26-20)22-21(28-16-9-11-24-12-10-16)18-7-2-3-8-19(18)30-22/h2-8,13,16,24H,9-12,14H2,1H3
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51n/an/an/an/an/an/an/an/a



Imperial College

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum N-myristoyltransferase by CPM fluorescence assay


J Med Chem 57: 2773-88 (2014)


Article DOI: 10.1021/jm500066b
BindingDB Entry DOI: 10.7270/Q27084DV
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase


(Plasmodium falciparum (isolate 3D7))
BDBM50496919
PNG
(CHEMBL3237436)
Show SMILES Cc1n[nH]c(C)c1Cc1nnc(o1)-c1sc2ccccc2c1OC1CCNCC1
Show InChI InChI=1S/C21H23N5O2S/c1-12-16(13(2)24-23-12)11-18-25-26-21(28-18)20-19(27-14-7-9-22-10-8-14)15-5-3-4-6-17(15)29-20/h3-6,14,22H,7-11H2,1-2H3,(H,23,24)
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55n/an/an/an/an/an/an/an/a



Imperial College

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum N-myristoyltransferase by CPM fluorescence assay


J Med Chem 57: 2773-88 (2014)


Article DOI: 10.1021/jm500066b
BindingDB Entry DOI: 10.7270/Q27084DV
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50148267
PNG
(CHEMBL3770442)
Show SMILES COc1cccc(Cc2noc(n2)-c2cc(Cl)ccc2OC2CCNCC2)c1
Show InChI InChI=1S/C21H22ClN3O3/c1-26-17-4-2-3-14(11-17)12-20-24-21(28-25-20)18-13-15(22)5-6-19(18)27-16-7-9-23-10-8-16/h2-6,11,13,16,23H,7-10,12H2,1H3
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70n/an/an/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Binding affinity to human N-myristoyltransferase by fluorescence analysis


Medchemcomm 6: 1761-1766 (2016)


BindingDB Entry DOI: 10.7270/Q2TB18R2
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase


(Plasmodium falciparum (isolate 3D7))
BDBM50496905
PNG
(CHEMBL3237418)
Show SMILES C(c1noc(n1)-c1sc2ccccc2c1OC1CCNCC1)c1ccccc1
Show InChI InChI=1S/C22H21N3O2S/c1-2-6-15(7-3-1)14-19-24-22(27-25-19)21-20(26-16-10-12-23-13-11-16)17-8-4-5-9-18(17)28-21/h1-9,16,23H,10-14H2
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71n/an/an/an/an/an/an/an/a



Imperial College

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum N-myristoyltransferase by CPM fluorescence assay


J Med Chem 57: 2773-88 (2014)


Article DOI: 10.1021/jm500066b
BindingDB Entry DOI: 10.7270/Q27084DV
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase


(Plasmodium falciparum (isolate 3D7))
BDBM50496901
PNG
(CHEMBL3237427)
Show SMILES C(c1nnc(o1)-c1sc2ccccc2c1OC1CCNCC1)c1ccccc1
Show InChI InChI=1S/C22H21N3O2S/c1-2-6-15(7-3-1)14-19-24-25-22(27-19)21-20(26-16-10-12-23-13-11-16)17-8-4-5-9-18(17)28-21/h1-9,16,23H,10-14H2
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77n/an/an/an/an/an/an/an/a



Imperial College

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum N-myristoyltransferase by CPM fluorescence assay


J Med Chem 57: 2773-88 (2014)


Article DOI: 10.1021/jm500066b
BindingDB Entry DOI: 10.7270/Q27084DV
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase


(Plasmodium falciparum (isolate 3D7))
BDBM50496897
PNG
(CHEMBL3237431)
Show SMILES C1CC1(c1nnc(o1)-c1sc2ccccc2c1OC1CCNCC1)c1ccccc1
Show InChI InChI=1S/C24H23N3O2S/c1-2-6-16(7-3-1)24(12-13-24)23-27-26-22(29-23)21-20(28-17-10-14-25-15-11-17)18-8-4-5-9-19(18)30-21/h1-9,17,25H,10-15H2
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98n/an/an/an/an/an/an/an/a



Imperial College

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum N-myristoyltransferase by CPM fluorescence assay


J Med Chem 57: 2773-88 (2014)


Article DOI: 10.1021/jm500066b
BindingDB Entry DOI: 10.7270/Q27084DV
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase


(Plasmodium falciparum (isolate 3D7))
BDBM50496925
PNG
(CHEMBL3237437)
Show SMILES Cc1noc(C)c1Cc1nnc(o1)-c1sc2ccccc2c1OC1CCNCC1
Show InChI InChI=1S/C21H22N4O3S/c1-12-16(13(2)28-25-12)11-18-23-24-21(27-18)20-19(26-14-7-9-22-10-8-14)15-5-3-4-6-17(15)29-20/h3-6,14,22H,7-11H2,1-2H3
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113n/an/an/an/an/an/an/an/a



Imperial College

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum N-myristoyltransferase by CPM fluorescence assay


J Med Chem 57: 2773-88 (2014)


Article DOI: 10.1021/jm500066b
BindingDB Entry DOI: 10.7270/Q27084DV
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase


(Plasmodium falciparum (isolate 3D7))
BDBM50496922
PNG
(CHEMBL3237411)
Show SMILES COc1cccc(CCOC(=O)c2sc3ccccc3c2OC2CCNCC2)c1
Show InChI InChI=1S/C23H25NO4S/c1-26-18-6-4-5-16(15-18)11-14-27-23(25)22-21(28-17-9-12-24-13-10-17)19-7-2-3-8-20(19)29-22/h2-8,15,17,24H,9-14H2,1H3
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120n/an/an/an/an/an/an/an/a



Imperial College

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum N-myristoyltransferase by CPM fluorescence assay


J Med Chem 57: 2773-88 (2014)


Article DOI: 10.1021/jm500066b
BindingDB Entry DOI: 10.7270/Q27084DV
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase


(Plasmodium falciparum (isolate 3D7))
BDBM50496913
PNG
(CHEMBL3237423)
Show SMILES C(c1nc(no1)-c1sc2ccccc2c1OC1CCNCC1)c1ccccc1
Show InChI InChI=1S/C22H21N3O2S/c1-2-6-15(7-3-1)14-19-24-22(25-27-19)21-20(26-16-10-12-23-13-11-16)17-8-4-5-9-18(17)28-21/h1-9,16,23H,10-14H2
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120n/an/an/an/an/an/an/an/a



Imperial College

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum N-myristoyltransferase by CPM fluorescence assay


J Med Chem 57: 2773-88 (2014)


Article DOI: 10.1021/jm500066b
BindingDB Entry DOI: 10.7270/Q27084DV
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase


(Plasmodium falciparum (isolate 3D7))
BDBM50496924
PNG
(CHEMBL3237441)
Show SMILES Cc1nn(C)c(C)c1CCc1nnc(o1)-c1sc2ccccc2c1OC1CCNCC1
Show InChI InChI=1S/C23H27N5O2S/c1-14-17(15(2)28(3)27-14)8-9-20-25-26-23(30-20)22-21(29-16-10-12-24-13-11-16)18-6-4-5-7-19(18)31-22/h4-7,16,24H,8-13H2,1-3H3
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124n/an/an/an/an/an/an/an/a



Imperial College

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum N-myristoyltransferase by CPM fluorescence assay


J Med Chem 57: 2773-88 (2014)


Article DOI: 10.1021/jm500066b
BindingDB Entry DOI: 10.7270/Q27084DV
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase


(Plasmodium falciparum (isolate 3D7))
BDBM50496918
PNG
(CHEMBL3237435)
Show SMILES OC(c1nnc(o1)-c1sc2ccccc2c1OC1CCNCC1)c1ccccc1
Show InChI InChI=1S/C22H21N3O3S/c26-18(14-6-2-1-3-7-14)21-24-25-22(28-21)20-19(27-15-10-12-23-13-11-15)16-8-4-5-9-17(16)29-20/h1-9,15,18,23,26H,10-13H2
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125n/an/an/an/an/an/an/an/a



Imperial College

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum N-myristoyltransferase by CPM fluorescence assay


J Med Chem 57: 2773-88 (2014)


Article DOI: 10.1021/jm500066b
BindingDB Entry DOI: 10.7270/Q27084DV
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase


(Plasmodium falciparum (isolate 3D7))
BDBM50496903
PNG
(CHEMBL3237430)
Show SMILES CC(C)(c1nnc(o1)-c1sc2ccccc2c1OC1CCNCC1)c1ccccc1
Show InChI InChI=1S/C24H25N3O2S/c1-24(2,16-8-4-3-5-9-16)23-27-26-22(29-23)21-20(28-17-12-14-25-15-13-17)18-10-6-7-11-19(18)30-21/h3-11,17,25H,12-15H2,1-2H3
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152n/an/an/an/an/an/an/an/a



Imperial College

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum N-myristoyltransferase by CPM fluorescence assay


J Med Chem 57: 2773-88 (2014)


Article DOI: 10.1021/jm500066b
BindingDB Entry DOI: 10.7270/Q27084DV
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase


(Plasmodium falciparum (isolate 3D7))
BDBM50496895
PNG
(CHEMBL3237421)
Show SMILES Clc1cccc(Cc2noc(n2)-c2sc3ccccc3c2OC2CCNCC2)c1
Show InChI InChI=1S/C22H20ClN3O2S/c23-15-5-3-4-14(12-15)13-19-25-22(28-26-19)21-20(27-16-8-10-24-11-9-16)17-6-1-2-7-18(17)29-21/h1-7,12,16,24H,8-11,13H2
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163n/an/an/an/an/an/an/an/a



Imperial College

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum N-myristoyltransferase by CPM fluorescence assay


J Med Chem 57: 2773-88 (2014)


Article DOI: 10.1021/jm500066b
BindingDB Entry DOI: 10.7270/Q27084DV
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50135490
PNG
(CHEMBL3753789)
Show SMILES CC(C)N1CCC(CC1)Oc1ncccc1-c1nc(Cc2c(C)nn(C)c2C)no1
Show InChI InChI=1S/C22H30N6O2/c1-14(2)28-11-8-17(9-12-28)29-21-18(7-6-10-23-21)22-24-20(26-30-22)13-19-15(3)25-27(5)16(19)4/h6-7,10,14,17H,8-9,11-13H2,1-5H3
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180n/an/an/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of human NMT1 by 7-diethylamine-3-(4'maleimidylphenyl)-4-methylcoumarin based fluorescence assay


Medchemcomm 6: 1767-1772 (2016)


BindingDB Entry DOI: 10.7270/Q27M09RK
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase


(Plasmodium falciparum (isolate 3D7))
BDBM50496920
PNG
(CHEMBL3237440)
Show SMILES Cc1noc(C)c1CCc1nnc(o1)-c1sc2ccccc2c1OC1CCNCC1
Show InChI InChI=1S/C22H24N4O3S/c1-13-16(14(2)29-26-13)7-8-19-24-25-22(28-19)21-20(27-15-9-11-23-12-10-15)17-5-3-4-6-18(17)30-21/h3-6,15,23H,7-12H2,1-2H3
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186n/an/an/an/an/an/an/an/a



Imperial College

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum N-myristoyltransferase by CPM fluorescence assay


J Med Chem 57: 2773-88 (2014)


Article DOI: 10.1021/jm500066b
BindingDB Entry DOI: 10.7270/Q27084DV
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50135530
PNG
(CHEMBL3752766)
Show SMILES Cc1nn(C)c(C)c1Cc1noc(n1)-c1cccnc1OC1CCNCC1
Show InChI InChI=1S/C19H24N6O2/c1-12-16(13(2)25(3)23-12)11-17-22-19(27-24-17)15-5-4-8-21-18(15)26-14-6-9-20-10-7-14/h4-5,8,14,20H,6-7,9-11H2,1-3H3
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200n/an/an/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of human NMT1 by 7-diethylamine-3-(4'maleimidylphenyl)-4-methylcoumarin based fluorescence assay


Medchemcomm 6: 1767-1772 (2016)


BindingDB Entry DOI: 10.7270/Q27M09RK
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase


(Plasmodium falciparum (isolate 3D7))
BDBM50496898
PNG
(CHEMBL3237434)
Show SMILES COC(c1nnc(o1)-c1sc2ccccc2c1OC1CCNCC1)c1ccccc1
Show InChI InChI=1S/C23H23N3O3S/c1-27-19(15-7-3-2-4-8-15)22-25-26-23(29-22)21-20(28-16-11-13-24-14-12-16)17-9-5-6-10-18(17)30-21/h2-10,16,19,24H,11-14H2,1H3
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212n/an/an/an/an/an/an/an/a



Imperial College

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum N-myristoyltransferase by CPM fluorescence assay


J Med Chem 57: 2773-88 (2014)


Article DOI: 10.1021/jm500066b
BindingDB Entry DOI: 10.7270/Q27084DV
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase


(Plasmodium falciparum (isolate 3D7))
BDBM50496899
PNG
(CHEMBL3237439)
Show SMILES Cc1n[nH]c(C)c1CCc1nnc(o1)-c1sc2ccccc2c1OC1CCNCC1
Show InChI InChI=1S/C22H25N5O2S/c1-13-16(14(2)25-24-13)7-8-19-26-27-22(29-19)21-20(28-15-9-11-23-12-10-15)17-5-3-4-6-18(17)30-21/h3-6,15,23H,7-12H2,1-2H3,(H,24,25)
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226n/an/an/an/an/an/an/an/a



Imperial College

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum N-myristoyltransferase by CPM fluorescence assay


J Med Chem 57: 2773-88 (2014)


Article DOI: 10.1021/jm500066b
BindingDB Entry DOI: 10.7270/Q27084DV
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase


(Plasmodium falciparum (isolate 3D7))
BDBM50496910
PNG
(CHEMBL3237419)
Show SMILES C(Cc1ccccc1)c1noc(n1)-c1sc2ccccc2c1OC1CCNCC1
Show InChI InChI=1S/C23H23N3O2S/c1-2-6-16(7-3-1)10-11-20-25-23(28-26-20)22-21(27-17-12-14-24-15-13-17)18-8-4-5-9-19(18)29-22/h1-9,17,24H,10-15H2
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247n/an/an/an/an/an/an/an/a



Imperial College

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum N-myristoyltransferase by CPM fluorescence assay


J Med Chem 57: 2773-88 (2014)


Article DOI: 10.1021/jm500066b
BindingDB Entry DOI: 10.7270/Q27084DV
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50148265
PNG
(CHEMBL3770815)
Show SMILES COc1cccc(Cc2noc(n2)-c2ccc(Br)cc2OC2CCNCC2)c1
Show InChI InChI=1S/C21H22BrN3O3/c1-26-17-4-2-3-14(11-17)12-20-24-21(28-25-20)18-6-5-15(22)13-19(18)27-16-7-9-23-10-8-16/h2-6,11,13,16,23H,7-10,12H2,1H3
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260n/an/an/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Binding affinity to human N-myristoyltransferase by fluorescence analysis


Medchemcomm 6: 1761-1766 (2016)


BindingDB Entry DOI: 10.7270/Q2TB18R2
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50135492
PNG
(CHEMBL3754763)
Show SMILES CCN1CCC(CC1)Oc1ncccc1-c1nc(Cc2c(C)nn(C)c2C)no1
Show InChI InChI=1S/C21H28N6O2/c1-5-27-11-8-16(9-12-27)28-20-17(7-6-10-22-20)21-23-19(25-29-21)13-18-14(2)24-26(4)15(18)3/h6-7,10,16H,5,8-9,11-13H2,1-4H3
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270n/an/an/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of human NMT1 by 7-diethylamine-3-(4'maleimidylphenyl)-4-methylcoumarin based fluorescence assay


Medchemcomm 6: 1767-1772 (2016)


BindingDB Entry DOI: 10.7270/Q27M09RK
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50135487
PNG
(CHEMBL3753421)
Show SMILES COc1cccc(Cc2noc(n2)-c2cccnc2OC2CCNCC2)c1
Show InChI InChI=1S/C20H22N4O3/c1-25-16-5-2-4-14(12-16)13-18-23-20(27-24-18)17-6-3-9-22-19(17)26-15-7-10-21-11-8-15/h2-6,9,12,15,21H,7-8,10-11,13H2,1H3
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270n/an/an/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of human NMT1 by 7-diethylamine-3-(4'maleimidylphenyl)-4-methylcoumarin based fluorescence assay


Medchemcomm 6: 1767-1772 (2016)


BindingDB Entry DOI: 10.7270/Q27M09RK
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase


(Plasmodium falciparum (isolate 3D7))
BDBM50496923
PNG
(CHEMBL3237426)
Show SMILES C(c1n[nH]c(n1)-c1sc2ccccc2c1OC1CCNCC1)c1ccccc1
Show InChI InChI=1S/C22H22N4OS/c1-2-6-15(7-3-1)14-19-24-22(26-25-19)21-20(27-16-10-12-23-13-11-16)17-8-4-5-9-18(17)28-21/h1-9,16,23H,10-14H2,(H,24,25,26)
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270n/an/an/an/an/an/an/an/a



Imperial College

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum N-myristoyltransferase by CPM fluorescence assay


J Med Chem 57: 2773-88 (2014)


Article DOI: 10.1021/jm500066b
BindingDB Entry DOI: 10.7270/Q27084DV
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase


(Plasmodium falciparum (isolate 3D7))
BDBM50496915
PNG
(CHEMBL3237429)
Show SMILES CC(c1nnc(o1)-c1sc2ccccc2c1OC1CCNCC1)c1ccccc1
Show InChI InChI=1S/C23H23N3O2S/c1-15(16-7-3-2-4-8-16)22-25-26-23(28-22)21-20(27-17-11-13-24-14-12-17)18-9-5-6-10-19(18)29-21/h2-10,15,17,24H,11-14H2,1H3
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334n/an/an/an/an/an/an/an/a



Imperial College

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum N-myristoyltransferase by CPM fluorescence assay


J Med Chem 57: 2773-88 (2014)


Article DOI: 10.1021/jm500066b
BindingDB Entry DOI: 10.7270/Q27084DV
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50135531
PNG
(CHEMBL3753053)
Show SMILES COc1cccc(Cc2noc(n2)-c2ccc(Cl)cc2OC2CCNCC2)c1
Show InChI InChI=1S/C21H22ClN3O3/c1-26-17-4-2-3-14(11-17)12-20-24-21(28-25-20)18-6-5-15(22)13-19(18)27-16-7-9-23-10-8-16/h2-6,11,13,16,23H,7-10,12H2,1H3
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360n/an/an/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of human NMT1 by 7-diethylamine-3-(4'maleimidylphenyl)-4-methylcoumarin based fluorescence assay


Medchemcomm 6: 1767-1772 (2016)


BindingDB Entry DOI: 10.7270/Q27M09RK
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase


(Plasmodium falciparum (isolate 3D7))
BDBM50496916
PNG
(CHEMBL3237432)
Show SMILES FC(F)(c1nnc(o1)-c1sc2ccccc2c1OC1CCNCC1)c1ccccc1
Show InChI InChI=1S/C22H19F2N3O2S/c23-22(24,14-6-2-1-3-7-14)21-27-26-20(29-21)19-18(28-15-10-12-25-13-11-15)16-8-4-5-9-17(16)30-19/h1-9,15,25H,10-13H2
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391n/an/an/an/an/an/an/an/a



Imperial College

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum N-myristoyltransferase by CPM fluorescence assay


J Med Chem 57: 2773-88 (2014)


Article DOI: 10.1021/jm500066b
BindingDB Entry DOI: 10.7270/Q27084DV
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50135702
PNG
(CHEMBL3753483)
Show SMILES COc1cccc(Cc2noc(n2)-c2ccc(OC)cc2OC2CCNCC2)c1
Show InChI InChI=1S/C12H21N2O/c1-4-8-14(2,3)9-10-15-12-6-5-7-13-11-12/h5-7,11H,4,8-10H2,1-3H3/q+1
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430n/an/an/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of human NMT1 by 7-diethylamine-3-(4'maleimidylphenyl)-4-methylcoumarin based fluorescence assay


Medchemcomm 6: 1767-1772 (2016)


BindingDB Entry DOI: 10.7270/Q27M09RK
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50135531
PNG
(CHEMBL3753053)
Show SMILES COc1cccc(Cc2noc(n2)-c2ccc(Cl)cc2OC2CCNCC2)c1
Show InChI InChI=1S/C21H22ClN3O3/c1-26-17-4-2-3-14(11-17)12-20-24-21(28-25-20)18-6-5-15(22)13-19(18)27-16-7-9-23-10-8-16/h2-6,11,13,16,23H,7-10,12H2,1H3
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450n/an/an/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Binding affinity to human N-myristoyltransferase by fluorescence analysis


Medchemcomm 6: 1761-1766 (2016)


BindingDB Entry DOI: 10.7270/Q2TB18R2
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase


(Plasmodium falciparum (isolate 3D7))
BDBM50496917
PNG
(CHEMBL3237433)
Show SMILES C1CC(CCN1)Oc1c(sc2ccccc12)-c1nnc(o1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H25N3O2S/c1-3-9-19(10-4-1)24(20-11-5-2-6-12-20)27-30-31-28(33-27)26-25(32-21-15-17-29-18-16-21)22-13-7-8-14-23(22)34-26/h1-14,21,24,29H,15-18H2
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465n/an/an/an/an/an/an/an/a



Imperial College

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum N-myristoyltransferase by CPM fluorescence assay


J Med Chem 57: 2773-88 (2014)


Article DOI: 10.1021/jm500066b
BindingDB Entry DOI: 10.7270/Q27084DV
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50135529
PNG
(CHEMBL3754678)
Show SMILES CN1CCC(CC1)Oc1ncccc1-c1nc(Cc2c(C)nn(C)c2C)no1
Show InChI InChI=1S/C20H26N6O2/c1-13-17(14(2)26(4)23-13)12-18-22-20(28-24-18)16-6-5-9-21-19(16)27-15-7-10-25(3)11-8-15/h5-6,9,15H,7-8,10-12H2,1-4H3
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510n/an/an/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of human NMT1 by 7-diethylamine-3-(4'maleimidylphenyl)-4-methylcoumarin based fluorescence assay


Medchemcomm 6: 1767-1772 (2016)


BindingDB Entry DOI: 10.7270/Q27M09RK
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50135701
PNG
(CHEMBL3754641)
Show SMILES COc1cccc(Cc2noc(n2)-c2ccc(F)cc2OC2CCNCC2)c1
Show InChI InChI=1S/C12H21N2O/c1-11(2)14(3,4)8-9-15-12-6-5-7-13-10-12/h5-7,10-11H,8-9H2,1-4H3/q+1
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540n/an/an/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of human NMT1 by 7-diethylamine-3-(4'maleimidylphenyl)-4-methylcoumarin based fluorescence assay


Medchemcomm 6: 1767-1772 (2016)


BindingDB Entry DOI: 10.7270/Q27M09RK
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50135701
PNG
(CHEMBL3754641)
Show SMILES COc1cccc(Cc2noc(n2)-c2ccc(F)cc2OC2CCNCC2)c1
Show InChI InChI=1S/C12H21N2O/c1-11(2)14(3,4)8-9-15-12-6-5-7-13-10-12/h5-7,10-11H,8-9H2,1-4H3/q+1
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590n/an/an/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Binding affinity to human N-myristoyltransferase by fluorescence analysis


Medchemcomm 6: 1761-1766 (2016)


BindingDB Entry DOI: 10.7270/Q2TB18R2
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50027677
PNG
(CHEMBL3344387)
Show SMILES N[C@@H](CC(=O)N1C[C@H](CO)[C@H](C1)c1ccc(Cl)cc1)Cc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C21H24Cl2N2O2/c22-17-5-1-14(2-6-17)9-19(24)10-21(27)25-11-16(13-26)20(12-25)15-3-7-18(23)8-4-15/h1-8,16,19-20,26H,9-13,24H2/t16-,19-,20-/m1/s1
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631n/an/an/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of human NMT1 using GSNKSKPKDASQRRR-NH2 as substrate by CPM fluorescence assay


J Med Chem 57: 8664-70 (2014)


Article DOI: 10.1021/jm5011397
BindingDB Entry DOI: 10.7270/Q2X63PJN
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase


(Plasmodium falciparum (isolate 3D7))
BDBM50496906
PNG
(CHEMBL3237410)
Show SMILES O=C(OCCc1ccccc1)c1sc2ccccc2c1OC1CCNCC1
Show InChI InChI=1S/C22H23NO3S/c24-22(25-15-12-16-6-2-1-3-7-16)21-20(26-17-10-13-23-14-11-17)18-8-4-5-9-19(18)27-21/h1-9,17,23H,10-15H2
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677n/an/an/an/an/an/an/an/a



Imperial College

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum N-myristoyltransferase by CPM fluorescence assay


J Med Chem 57: 2773-88 (2014)


Article DOI: 10.1021/jm500066b
BindingDB Entry DOI: 10.7270/Q27084DV
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50134769
PNG
(CHEMBL3754615)
Show SMILES Clc1ccc(OC2CCNCC2)c(c1)-c1nc(Cc2ccccc2)no1
Show InChI InChI=1S/C20H20ClN3O2/c21-15-6-7-18(25-16-8-10-22-11-9-16)17(13-15)20-23-19(24-26-20)12-14-4-2-1-3-5-14/h1-7,13,16,22H,8-12H2
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730n/an/an/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of human NMT1 by 7-diethylamine-3-(4'maleimidylphenyl)-4-methylcoumarin based fluorescence assay


Medchemcomm 6: 1767-1772 (2016)


BindingDB Entry DOI: 10.7270/Q27M09RK
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50148268
PNG
(CHEMBL3771033)
Show SMILES COc1cccc(Cc2noc(n2)-c2cc(OC)ccc2OC2CCNCC2)c1
Show InChI InChI=1S/C22H25N3O4/c1-26-17-5-3-4-15(12-17)13-21-24-22(29-25-21)19-14-18(27-2)6-7-20(19)28-16-8-10-23-11-9-16/h3-7,12,14,16,23H,8-11,13H2,1-2H3
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760n/an/an/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Binding affinity to human N-myristoyltransferase by fluorescence analysis


Medchemcomm 6: 1761-1766 (2016)


BindingDB Entry DOI: 10.7270/Q2TB18R2
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50148266
PNG
(CHEMBL3770262)
Show SMILES COc1cccc(Cc2noc(n2)-c2cc(C)ccc2OC2CCNCC2)c1
Show InChI InChI=1S/C22H25N3O3/c1-15-6-7-20(27-17-8-10-23-11-9-17)19(12-15)22-24-21(25-28-22)14-16-4-3-5-18(13-16)26-2/h3-7,12-13,17,23H,8-11,14H2,1-2H3
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760n/an/an/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Binding affinity to human N-myristoyltransferase by fluorescence analysis


Medchemcomm 6: 1761-1766 (2016)


BindingDB Entry DOI: 10.7270/Q2TB18R2
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50135702
PNG
(CHEMBL3753483)
Show SMILES COc1cccc(Cc2noc(n2)-c2ccc(OC)cc2OC2CCNCC2)c1
Show InChI InChI=1S/C12H21N2O/c1-4-8-14(2,3)9-10-15-12-6-5-7-13-11-12/h5-7,11H,4,8-10H2,1-3H3/q+1
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860n/an/an/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Binding affinity to human N-myristoyltransferase by fluorescence analysis


Medchemcomm 6: 1761-1766 (2016)


BindingDB Entry DOI: 10.7270/Q2TB18R2
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50134768
PNG
(CHEMBL3753269)
Show SMILES Fc1ccc(OC2CCNCC2)c(c1)-c1nc(Cc2ccccc2)no1
Show InChI InChI=1S/C20H20FN3O2/c21-15-6-7-18(25-16-8-10-22-11-9-16)17(13-15)20-23-19(24-26-20)12-14-4-2-1-3-5-14/h1-7,13,16,22H,8-12H2
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PubMed
1.00E+3n/an/an/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of human NMT1 by 7-diethylamine-3-(4'maleimidylphenyl)-4-methylcoumarin based fluorescence assay


Medchemcomm 6: 1767-1772 (2016)


BindingDB Entry DOI: 10.7270/Q27M09RK
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase


(Plasmodium falciparum (isolate 3D7))
BDBM50496908
PNG
(CHEMBL3237414)
Show SMILES O=C(OCCOc1ccccc1)c1sc2ccccc2c1OC1CCNCC1
Show InChI InChI=1S/C22H23NO4S/c24-22(26-15-14-25-16-6-2-1-3-7-16)21-20(27-17-10-12-23-13-11-17)18-8-4-5-9-19(18)28-21/h1-9,17,23H,10-15H2
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Article
PubMed
1.13E+3n/an/an/an/an/an/an/an/a



Imperial College

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum N-myristoyltransferase by CPM fluorescence assay


J Med Chem 57: 2773-88 (2014)


Article DOI: 10.1021/jm500066b
BindingDB Entry DOI: 10.7270/Q27084DV
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50134764
PNG
(CHEMBL3754427)
Show SMILES COc1ccc(-c2nc(Cc3ccccc3)no2)c(OC2CCNCC2)c1
Show InChI InChI=1S/C21H23N3O3/c1-25-17-7-8-18(19(14-17)26-16-9-11-22-12-10-16)21-23-20(24-27-21)13-15-5-3-2-4-6-15/h2-8,14,16,22H,9-13H2,1H3
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PubMed
1.20E+3n/an/an/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of human NMT1 by 7-diethylamine-3-(4'maleimidylphenyl)-4-methylcoumarin based fluorescence assay


Medchemcomm 6: 1767-1772 (2016)


BindingDB Entry DOI: 10.7270/Q27M09RK
More data for this
Ligand-Target Pair
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