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Compile Data Set for Download or QSAR

Found 114 hits of ki data for polymerid = 4601,50006191   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
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


(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


(Candida albicans (Yeast))
BDBM43856
PNG
(4-ethoxy-N-[(6-fluoro-1,1-diketo-2,3-dihydrothioch...)
Show SMILES CCOc1ccc(cc1)S(=O)(=O)NN=C1CCS(=O)(=O)c2ccc(F)cc12 |w:13.13|
Show InChI InChI=1S/C17H17FN2O5S2/c1-2-25-13-4-6-14(7-5-13)27(23,24)20-19-16-9-10-26(21,22)17-8-3-12(18)11-15(16)17/h3-8,11,20H,2,9-10H2,1H3
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20n/an/an/an/an/an/an/an/a



Nippon Roche Research Center



Assay Description
Inhibition activity against C. albicans Nmt and human Nmt as assessed by IC50 using myristoyl-CoA (0.5 uM) and peptide substrate GLTISKLFRR-NH2 (0.5 ...


Chem Biol 9: 1119-28 (2002)


Article DOI: 10.1016/S1074-5521(02)00240-5
BindingDB Entry DOI: 10.7270/Q2BV7F0C
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


(Candida albicans (Yeast))
BDBM43856
PNG
(4-ethoxy-N-[(6-fluoro-1,1-diketo-2,3-dihydrothioch...)
Show SMILES CCOc1ccc(cc1)S(=O)(=O)NN=C1CCS(=O)(=O)c2ccc(F)cc12 |w:13.13|
Show InChI InChI=1S/C17H17FN2O5S2/c1-2-25-13-4-6-14(7-5-13)27(23,24)20-19-16-9-10-26(21,22)17-8-3-12(18)11-15(16)17/h3-8,11,20H,2,9-10H2,1H3
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30n/a 30n/an/an/an/an/an/a



Nippon Roche Research Center



Assay Description
Inhibition activity against C. albicans Nmt and human Nmt as assessed by IC50 using myristoyl-CoA (0.5 uM) and peptide substrate GLTISKLFRR-NH2 (0.5 ...


Chem Biol 9: 1119-28 (2002)


Article DOI: 10.1016/S1074-5521(02)00240-5
BindingDB Entry DOI: 10.7270/Q2BV7F0C
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase


(Candida albicans (Yeast))
BDBM43856
PNG
(4-ethoxy-N-[(6-fluoro-1,1-diketo-2,3-dihydrothioch...)
Show SMILES CCOc1ccc(cc1)S(=O)(=O)NN=C1CCS(=O)(=O)c2ccc(F)cc12 |w:13.13|
Show InChI InChI=1S/C17H17FN2O5S2/c1-2-25-13-4-6-14(7-5-13)27(23,24)20-19-16-9-10-26(21,22)17-8-3-12(18)11-15(16)17/h3-8,11,20H,2,9-10H2,1H3
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30n/an/an/an/an/an/an/an/a



Nippon Roche Research Center



Assay Description
Inhibition activity against C. albicans Nmt and human Nmt as assessed by IC50 using myristoyl-CoA (0.5 uM) and peptide substrate GLTISKLFRR-NH2 (0.5 ...


Chem Biol 9: 1119-28 (2002)


Article DOI: 10.1016/S1074-5521(02)00240-5
BindingDB Entry DOI: 10.7270/Q2BV7F0C
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase


(Candida albicans (Yeast))
BDBM43856
PNG
(4-ethoxy-N-[(6-fluoro-1,1-diketo-2,3-dihydrothioch...)
Show SMILES CCOc1ccc(cc1)S(=O)(=O)NN=C1CCS(=O)(=O)c2ccc(F)cc12 |w:13.13|
Show InChI InChI=1S/C17H17FN2O5S2/c1-2-25-13-4-6-14(7-5-13)27(23,24)20-19-16-9-10-26(21,22)17-8-3-12(18)11-15(16)17/h3-8,11,20H,2,9-10H2,1H3
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30n/an/an/an/an/an/an/an/a



Nippon Roche Research Center



Assay Description
Inhibition activity against C. albicans Nmt and human Nmt as assessed by IC50 using myristoyl-CoA (0.5 uM) and peptide substrate GLTISKLFRR-NH2 (0.5 ...


Chem Biol 9: 1119-28 (2002)


Article DOI: 10.1016/S1074-5521(02)00240-5
BindingDB Entry DOI: 10.7270/Q2BV7F0C
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase


(Candida albicans (Yeast))
BDBM43856
PNG
(4-ethoxy-N-[(6-fluoro-1,1-diketo-2,3-dihydrothioch...)
Show SMILES CCOc1ccc(cc1)S(=O)(=O)NN=C1CCS(=O)(=O)c2ccc(F)cc12 |w:13.13|
Show InChI InChI=1S/C17H17FN2O5S2/c1-2-25-13-4-6-14(7-5-13)27(23,24)20-19-16-9-10-26(21,22)17-8-3-12(18)11-15(16)17/h3-8,11,20H,2,9-10H2,1H3
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30n/an/an/an/an/an/an/an/a



Nippon Roche Research Center



Assay Description
Inhibition activity against C. albicans Nmt and human Nmt as assessed by IC50 using myristoyl-CoA (0.5 uM) and peptide substrate GLTISKLFRR-NH2 (0.5 ...


Chem Biol 9: 1119-28 (2002)


Article DOI: 10.1016/S1074-5521(02)00240-5
BindingDB Entry DOI: 10.7270/Q2BV7F0C
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase


(Candida albicans (Yeast))
BDBM43856
PNG
(4-ethoxy-N-[(6-fluoro-1,1-diketo-2,3-dihydrothioch...)
Show SMILES CCOc1ccc(cc1)S(=O)(=O)NN=C1CCS(=O)(=O)c2ccc(F)cc12 |w:13.13|
Show InChI InChI=1S/C17H17FN2O5S2/c1-2-25-13-4-6-14(7-5-13)27(23,24)20-19-16-9-10-26(21,22)17-8-3-12(18)11-15(16)17/h3-8,11,20H,2,9-10H2,1H3
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30n/an/an/an/an/an/an/an/a



Nippon Roche Research Center



Assay Description
Inhibition activity against C. albicans Nmt and human Nmt as assessed by IC50 using myristoyl-CoA (0.5 uM) and peptide substrate GLTISKLFRR-NH2 (0.5 ...


Chem Biol 9: 1119-28 (2002)


Article DOI: 10.1016/S1074-5521(02)00240-5
BindingDB Entry DOI: 10.7270/Q2BV7F0C
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase


(Candida albicans (Yeast))
BDBM50034993
PNG
((S)-6-Amino-2-[(S)-3-hydroxy-2-(2-{4-[4-(2-methyl-...)
Show SMILES Cc1nccn1CCCCc1ccc(CC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)NCCC2CCCCC2)cc1
Show InChI InChI=1S/C33H52N6O4/c1-25-35-20-22-39(25)21-8-6-11-27-13-15-28(16-14-27)23-31(41)37-30(24-40)33(43)38-29(12-5-7-18-34)32(42)36-19-17-26-9-3-2-4-10-26/h13-16,20,22,26,29-30,40H,2-12,17-19,21,23-24,34H2,1H3,(H,36,42)(H,37,41)(H,38,43)/t29-,30-/m0/s1
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31n/an/an/an/an/an/an/an/a



G. D. Searle and Company

Curated by ChEMBL


Assay Description
The Compound was tested for the inhibition potency against C. albicans N-myristoyltransferase (NMT) and reported as apparent Ki


J Med Chem 41: 996-1000 (1998)


Article DOI: 10.1021/jm980001q
BindingDB Entry DOI: 10.7270/Q27080KF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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


(Candida albicans (Yeast))
BDBM43856
PNG
(4-ethoxy-N-[(6-fluoro-1,1-diketo-2,3-dihydrothioch...)
Show SMILES CCOc1ccc(cc1)S(=O)(=O)NN=C1CCS(=O)(=O)c2ccc(F)cc12 |w:13.13|
Show InChI InChI=1S/C17H17FN2O5S2/c1-2-25-13-4-6-14(7-5-13)27(23,24)20-19-16-9-10-26(21,22)17-8-3-12(18)11-15(16)17/h3-8,11,20H,2,9-10H2,1H3
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40n/an/an/an/an/an/an/an/a



Nippon Roche Research Center



Assay Description
Inhibition activity against C. albicans Nmt and human Nmt as assessed by IC50 using myristoyl-CoA (0.5 uM) and peptide substrate GLTISKLFRR-NH2 (0.5 ...


Chem Biol 9: 1119-28 (2002)


Article DOI: 10.1016/S1074-5521(02)00240-5
BindingDB Entry DOI: 10.7270/Q2BV7F0C
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase


(Candida albicans (Yeast))
BDBM43856
PNG
(4-ethoxy-N-[(6-fluoro-1,1-diketo-2,3-dihydrothioch...)
Show SMILES CCOc1ccc(cc1)S(=O)(=O)NN=C1CCS(=O)(=O)c2ccc(F)cc12 |w:13.13|
Show InChI InChI=1S/C17H17FN2O5S2/c1-2-25-13-4-6-14(7-5-13)27(23,24)20-19-16-9-10-26(21,22)17-8-3-12(18)11-15(16)17/h3-8,11,20H,2,9-10H2,1H3
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40n/an/an/an/an/an/an/an/a



Nippon Roche Research Center



Assay Description
Inhibition activity against C. albicans Nmt and human Nmt as assessed by IC50 using myristoyl-CoA (0.5 uM) and peptide substrate GLTISKLFRR-NH2 (0.5 ...


Chem Biol 9: 1119-28 (2002)


Article DOI: 10.1016/S1074-5521(02)00240-5
BindingDB Entry DOI: 10.7270/Q2BV7F0C
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


(Candida albicans (Yeast))
BDBM43856
PNG
(4-ethoxy-N-[(6-fluoro-1,1-diketo-2,3-dihydrothioch...)
Show SMILES CCOc1ccc(cc1)S(=O)(=O)NN=C1CCS(=O)(=O)c2ccc(F)cc12 |w:13.13|
Show InChI InChI=1S/C17H17FN2O5S2/c1-2-25-13-4-6-14(7-5-13)27(23,24)20-19-16-9-10-26(21,22)17-8-3-12(18)11-15(16)17/h3-8,11,20H,2,9-10H2,1H3
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50n/an/an/an/an/an/an/an/a



Nippon Roche Research Center



Assay Description
Inhibition activity against C. albicans Nmt and human Nmt as assessed by IC50 using myristoyl-CoA (0.5 uM) and peptide substrate GLTISKLFRR-NH2 (0.5 ...


Chem Biol 9: 1119-28 (2002)


Article DOI: 10.1016/S1074-5521(02)00240-5
BindingDB Entry DOI: 10.7270/Q2BV7F0C
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase


(Candida albicans (Yeast))
BDBM43856
PNG
(4-ethoxy-N-[(6-fluoro-1,1-diketo-2,3-dihydrothioch...)
Show SMILES CCOc1ccc(cc1)S(=O)(=O)NN=C1CCS(=O)(=O)c2ccc(F)cc12 |w:13.13|
Show InChI InChI=1S/C17H17FN2O5S2/c1-2-25-13-4-6-14(7-5-13)27(23,24)20-19-16-9-10-26(21,22)17-8-3-12(18)11-15(16)17/h3-8,11,20H,2,9-10H2,1H3
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50n/an/an/an/an/an/an/an/a



Nippon Roche Research Center



Assay Description
Inhibition activity against C. albicans Nmt and human Nmt as assessed by IC50 using myristoyl-CoA (0.5 uM) and peptide substrate GLTISKLFRR-NH2 (0.5 ...


Chem Biol 9: 1119-28 (2002)


Article DOI: 10.1016/S1074-5521(02)00240-5
BindingDB Entry DOI: 10.7270/Q2BV7F0C
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase


(Candida albicans (Yeast))
BDBM96235
PNG
(4-[2-hydroxy-3-(isopropylamino)propoxy]-3-methyl-c...)
Show SMILES CCOC(=O)c1oc2cccc(OCC(O)CNC(C)C)c2c1C
Show InChI InChI=1S/C18H25NO5/c1-5-22-18(21)17-12(4)16-14(7-6-8-15(16)24-17)23-10-13(20)9-19-11(2)3/h6-8,11,13,19-20H,5,9-10H2,1-4H3
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50n/an/an/an/an/an/an/an/a



Nippon Roche Research Center



Assay Description
Inhibition activity against C. albicans Nmt and human Nmt as assessed by IC50 using myristoyl-CoA (0.5 uM) and peptide substrate GLTISKLFRR-NH2 (0.5 ...


Chem Biol 9: 1119-28 (2002)


Article DOI: 10.1016/S1074-5521(02)00240-5
BindingDB Entry DOI: 10.7270/Q2BV7F0C
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


(Candida albicans (Yeast))
BDBM43856
PNG
(4-ethoxy-N-[(6-fluoro-1,1-diketo-2,3-dihydrothioch...)
Show SMILES CCOc1ccc(cc1)S(=O)(=O)NN=C1CCS(=O)(=O)c2ccc(F)cc12 |w:13.13|
Show InChI InChI=1S/C17H17FN2O5S2/c1-2-25-13-4-6-14(7-5-13)27(23,24)20-19-16-9-10-26(21,22)17-8-3-12(18)11-15(16)17/h3-8,11,20H,2,9-10H2,1H3
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70n/an/an/an/an/an/an/an/a



Nippon Roche Research Center



Assay Description
Inhibition activity against C. albicans Nmt and human Nmt as assessed by IC50 using myristoyl-CoA (0.5 uM) and peptide substrate GLTISKLFRR-NH2 (0.5 ...


Chem Biol 9: 1119-28 (2002)


Article DOI: 10.1016/S1074-5521(02)00240-5
BindingDB Entry DOI: 10.7270/Q2BV7F0C
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase


(Candida albicans (Yeast))
BDBM43856
PNG
(4-ethoxy-N-[(6-fluoro-1,1-diketo-2,3-dihydrothioch...)
Show SMILES CCOc1ccc(cc1)S(=O)(=O)NN=C1CCS(=O)(=O)c2ccc(F)cc12 |w:13.13|
Show InChI InChI=1S/C17H17FN2O5S2/c1-2-25-13-4-6-14(7-5-13)27(23,24)20-19-16-9-10-26(21,22)17-8-3-12(18)11-15(16)17/h3-8,11,20H,2,9-10H2,1H3
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70n/an/an/an/an/an/an/an/a



Nippon Roche Research Center



Assay Description
Inhibition activity against C. albicans Nmt and human Nmt as assessed by IC50 using myristoyl-CoA (0.5 uM) and peptide substrate GLTISKLFRR-NH2 (0.5 ...


Chem Biol 9: 1119-28 (2002)


Article DOI: 10.1016/S1074-5521(02)00240-5
BindingDB Entry DOI: 10.7270/Q2BV7F0C
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase


(Candida albicans (Yeast))
BDBM43856
PNG
(4-ethoxy-N-[(6-fluoro-1,1-diketo-2,3-dihydrothioch...)
Show SMILES CCOc1ccc(cc1)S(=O)(=O)NN=C1CCS(=O)(=O)c2ccc(F)cc12 |w:13.13|
Show InChI InChI=1S/C17H17FN2O5S2/c1-2-25-13-4-6-14(7-5-13)27(23,24)20-19-16-9-10-26(21,22)17-8-3-12(18)11-15(16)17/h3-8,11,20H,2,9-10H2,1H3
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70n/an/an/an/an/an/an/an/a



Nippon Roche Research Center



Assay Description
Inhibition activity against C. albicans Nmt and human Nmt as assessed by IC50 using myristoyl-CoA (0.5 uM) and peptide substrate GLTISKLFRR-NH2 (0.5 ...


Chem Biol 9: 1119-28 (2002)


Article DOI: 10.1016/S1074-5521(02)00240-5
BindingDB Entry DOI: 10.7270/Q2BV7F0C
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


(Candida albicans (Yeast))
BDBM43854
PNG
(2-[(veratroylhydrazono)methyl]benzoic acid | 2-[[(...)
Show SMILES COc1ccc(cc1OC)C(=O)NN=Cc1ccccc1C(O)=O |w:13.13|
Show InChI InChI=1S/C17H16N2O5/c1-23-14-8-7-11(9-15(14)24-2)16(20)19-18-10-12-5-3-4-6-13(12)17(21)22/h3-10H,1-2H3,(H,19,20)(H,21,22)
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80n/an/an/an/an/an/an/an/a



Nippon Roche Research Center



Assay Description
Inhibition activity against C. albicans Nmt and human Nmt as assessed by IC50 using myristoyl-CoA (0.5 uM) and peptide substrate GLTISKLFRR-NH2 (0.5 ...


Chem Biol 9: 1119-28 (2002)


Article DOI: 10.1016/S1074-5521(02)00240-5
BindingDB Entry DOI: 10.7270/Q2BV7F0C
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase


(Candida albicans (Yeast))
BDBM43856
PNG
(4-ethoxy-N-[(6-fluoro-1,1-diketo-2,3-dihydrothioch...)
Show SMILES CCOc1ccc(cc1)S(=O)(=O)NN=C1CCS(=O)(=O)c2ccc(F)cc12 |w:13.13|
Show InChI InChI=1S/C17H17FN2O5S2/c1-2-25-13-4-6-14(7-5-13)27(23,24)20-19-16-9-10-26(21,22)17-8-3-12(18)11-15(16)17/h3-8,11,20H,2,9-10H2,1H3
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90n/an/an/an/an/an/an/an/a



Nippon Roche Research Center



Assay Description
Inhibition activity against C. albicans Nmt and human Nmt as assessed by IC50 using myristoyl-CoA (0.5 uM) and peptide substrate GLTISKLFRR-NH2 (0.5 ...


Chem Biol 9: 1119-28 (2002)


Article DOI: 10.1016/S1074-5521(02)00240-5
BindingDB Entry DOI: 10.7270/Q2BV7F0C
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase


(Candida albicans (Yeast))
BDBM43856
PNG
(4-ethoxy-N-[(6-fluoro-1,1-diketo-2,3-dihydrothioch...)
Show SMILES CCOc1ccc(cc1)S(=O)(=O)NN=C1CCS(=O)(=O)c2ccc(F)cc12 |w:13.13|
Show InChI InChI=1S/C17H17FN2O5S2/c1-2-25-13-4-6-14(7-5-13)27(23,24)20-19-16-9-10-26(21,22)17-8-3-12(18)11-15(16)17/h3-8,11,20H,2,9-10H2,1H3
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90n/an/an/an/an/an/an/an/a



Nippon Roche Research Center



Assay Description
Inhibition activity against C. albicans Nmt and human Nmt as assessed by IC50 using myristoyl-CoA (0.5 uM) and peptide substrate GLTISKLFRR-NH2 (0.5 ...


Chem Biol 9: 1119-28 (2002)


Article DOI: 10.1016/S1074-5521(02)00240-5
BindingDB Entry DOI: 10.7270/Q2BV7F0C
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


(Candida albicans (Yeast))
BDBM43856
PNG
(4-ethoxy-N-[(6-fluoro-1,1-diketo-2,3-dihydrothioch...)
Show SMILES CCOc1ccc(cc1)S(=O)(=O)NN=C1CCS(=O)(=O)c2ccc(F)cc12 |w:13.13|
Show InChI InChI=1S/C17H17FN2O5S2/c1-2-25-13-4-6-14(7-5-13)27(23,24)20-19-16-9-10-26(21,22)17-8-3-12(18)11-15(16)17/h3-8,11,20H,2,9-10H2,1H3
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100n/an/an/an/an/an/an/an/a



Nippon Roche Research Center



Assay Description
Inhibition activity against C. albicans Nmt and human Nmt as assessed by IC50 using myristoyl-CoA (0.5 uM) and peptide substrate GLTISKLFRR-NH2 (0.5 ...


Chem Biol 9: 1119-28 (2002)


Article DOI: 10.1016/S1074-5521(02)00240-5
BindingDB Entry DOI: 10.7270/Q2BV7F0C
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase


(Candida albicans (Yeast))
BDBM43856
PNG
(4-ethoxy-N-[(6-fluoro-1,1-diketo-2,3-dihydrothioch...)
Show SMILES CCOc1ccc(cc1)S(=O)(=O)NN=C1CCS(=O)(=O)c2ccc(F)cc12 |w:13.13|
Show InChI InChI=1S/C17H17FN2O5S2/c1-2-25-13-4-6-14(7-5-13)27(23,24)20-19-16-9-10-26(21,22)17-8-3-12(18)11-15(16)17/h3-8,11,20H,2,9-10H2,1H3
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110n/an/an/an/an/an/an/an/a



Nippon Roche Research Center



Assay Description
Inhibition activity against C. albicans Nmt and human Nmt as assessed by IC50 using myristoyl-CoA (0.5 uM) and peptide substrate GLTISKLFRR-NH2 (0.5 ...


Chem Biol 9: 1119-28 (2002)


Article DOI: 10.1016/S1074-5521(02)00240-5
BindingDB Entry DOI: 10.7270/Q2BV7F0C
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


(Candida albicans (Yeast))
BDBM96235
PNG
(4-[2-hydroxy-3-(isopropylamino)propoxy]-3-methyl-c...)
Show SMILES CCOC(=O)c1oc2cccc(OCC(O)CNC(C)C)c2c1C
Show InChI InChI=1S/C18H25NO5/c1-5-22-18(21)17-12(4)16-14(7-6-8-15(16)24-17)23-10-13(20)9-19-11(2)3/h6-8,11,13,19-20H,5,9-10H2,1-4H3
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140n/an/an/an/an/an/an/an/a



Nippon Roche Research Center



Assay Description
Inhibition activity against C. albicans Nmt and human Nmt as assessed by IC50 using myristoyl-CoA (0.5 uM) and peptide substrate GLTISKLFRR-NH2 (0.5 ...


Chem Biol 9: 1119-28 (2002)


Article DOI: 10.1016/S1074-5521(02)00240-5
BindingDB Entry DOI: 10.7270/Q2BV7F0C
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase


(Candida albicans (Yeast))
BDBM43856
PNG
(4-ethoxy-N-[(6-fluoro-1,1-diketo-2,3-dihydrothioch...)
Show SMILES CCOc1ccc(cc1)S(=O)(=O)NN=C1CCS(=O)(=O)c2ccc(F)cc12 |w:13.13|
Show InChI InChI=1S/C17H17FN2O5S2/c1-2-25-13-4-6-14(7-5-13)27(23,24)20-19-16-9-10-26(21,22)17-8-3-12(18)11-15(16)17/h3-8,11,20H,2,9-10H2,1H3
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150n/an/an/an/an/an/an/an/a



Nippon Roche Research Center



Assay Description
Inhibition activity against C. albicans Nmt and human Nmt as assessed by IC50 using myristoyl-CoA (0.5 uM) and peptide substrate GLTISKLFRR-NH2 (0.5 ...


Chem Biol 9: 1119-28 (2002)


Article DOI: 10.1016/S1074-5521(02)00240-5
BindingDB Entry DOI: 10.7270/Q2BV7F0C
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase


(Candida albicans (Yeast))
BDBM43854
PNG
(2-[(veratroylhydrazono)methyl]benzoic acid | 2-[[(...)
Show SMILES COc1ccc(cc1OC)C(=O)NN=Cc1ccccc1C(O)=O |w:13.13|
Show InChI InChI=1S/C17H16N2O5/c1-23-14-8-7-11(9-15(14)24-2)16(20)19-18-10-12-5-3-4-6-13(12)17(21)22/h3-10H,1-2H3,(H,19,20)(H,21,22)
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150n/an/an/an/an/an/an/an/a



Nippon Roche Research Center



Assay Description
Inhibition activity against C. albicans Nmt and human Nmt as assessed by IC50 using myristoyl-CoA (0.5 uM) and peptide substrate GLTISKLFRR-NH2 (0.5 ...


Chem Biol 9: 1119-28 (2002)


Article DOI: 10.1016/S1074-5521(02)00240-5
BindingDB Entry DOI: 10.7270/Q2BV7F0C
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


(Candida albicans (Yeast))
BDBM43854
PNG
(2-[(veratroylhydrazono)methyl]benzoic acid | 2-[[(...)
Show SMILES COc1ccc(cc1OC)C(=O)NN=Cc1ccccc1C(O)=O |w:13.13|
Show InChI InChI=1S/C17H16N2O5/c1-23-14-8-7-11(9-15(14)24-2)16(20)19-18-10-12-5-3-4-6-13(12)17(21)22/h3-10H,1-2H3,(H,19,20)(H,21,22)
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180n/an/an/an/an/an/an/an/a



Nippon Roche Research Center



Assay Description
Inhibition activity against C. albicans Nmt and human Nmt as assessed by IC50 using myristoyl-CoA (0.5 uM) and peptide substrate GLTISKLFRR-NH2 (0.5 ...


Chem Biol 9: 1119-28 (2002)


Article DOI: 10.1016/S1074-5521(02)00240-5
BindingDB Entry DOI: 10.7270/Q2BV7F0C
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


(Candida albicans (Yeast))
BDBM43854
PNG
(2-[(veratroylhydrazono)methyl]benzoic acid | 2-[[(...)
Show SMILES COc1ccc(cc1OC)C(=O)NN=Cc1ccccc1C(O)=O |w:13.13|
Show InChI InChI=1S/C17H16N2O5/c1-23-14-8-7-11(9-15(14)24-2)16(20)19-18-10-12-5-3-4-6-13(12)17(21)22/h3-10H,1-2H3,(H,19,20)(H,21,22)
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200n/an/an/an/an/an/an/an/a



Nippon Roche Research Center



Assay Description
Inhibition activity against C. albicans Nmt and human Nmt as assessed by IC50 using myristoyl-CoA (0.5 uM) and peptide substrate GLTISKLFRR-NH2 (0.5 ...


Chem Biol 9: 1119-28 (2002)


Article DOI: 10.1016/S1074-5521(02)00240-5
BindingDB Entry DOI: 10.7270/Q2BV7F0C
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


(Candida albicans (Yeast))
BDBM43856
PNG
(4-ethoxy-N-[(6-fluoro-1,1-diketo-2,3-dihydrothioch...)
Show SMILES CCOc1ccc(cc1)S(=O)(=O)NN=C1CCS(=O)(=O)c2ccc(F)cc12 |w:13.13|
Show InChI InChI=1S/C17H17FN2O5S2/c1-2-25-13-4-6-14(7-5-13)27(23,24)20-19-16-9-10-26(21,22)17-8-3-12(18)11-15(16)17/h3-8,11,20H,2,9-10H2,1H3
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220n/an/an/an/an/an/an/an/a



Nippon Roche Research Center



Assay Description
Inhibition activity against C. albicans Nmt and human Nmt as assessed by IC50 using myristoyl-CoA (0.5 uM) and peptide substrate GLTISKLFRR-NH2 (0.5 ...


Chem Biol 9: 1119-28 (2002)


Article DOI: 10.1016/S1074-5521(02)00240-5
BindingDB Entry DOI: 10.7270/Q2BV7F0C
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


(Candida albicans (Yeast))
BDBM43856
PNG
(4-ethoxy-N-[(6-fluoro-1,1-diketo-2,3-dihydrothioch...)
Show SMILES CCOc1ccc(cc1)S(=O)(=O)NN=C1CCS(=O)(=O)c2ccc(F)cc12 |w:13.13|
Show InChI InChI=1S/C17H17FN2O5S2/c1-2-25-13-4-6-14(7-5-13)27(23,24)20-19-16-9-10-26(21,22)17-8-3-12(18)11-15(16)17/h3-8,11,20H,2,9-10H2,1H3
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240n/an/an/an/an/an/an/an/a



Nippon Roche Research Center



Assay Description
Inhibition activity against C. albicans Nmt and human Nmt as assessed by IC50 using myristoyl-CoA (0.5 uM) and peptide substrate GLTISKLFRR-NH2 (0.5 ...


Chem Biol 9: 1119-28 (2002)


Article DOI: 10.1016/S1074-5521(02)00240-5
BindingDB Entry DOI: 10.7270/Q2BV7F0C
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase


(Candida albicans (Yeast))
BDBM96235
PNG
(4-[2-hydroxy-3-(isopropylamino)propoxy]-3-methyl-c...)
Show SMILES CCOC(=O)c1oc2cccc(OCC(O)CNC(C)C)c2c1C
Show InChI InChI=1S/C18H25NO5/c1-5-22-18(21)17-12(4)16-14(7-6-8-15(16)24-17)23-10-13(20)9-19-11(2)3/h6-8,11,13,19-20H,5,9-10H2,1-4H3
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240n/an/an/an/an/an/an/an/a



Nippon Roche Research Center



Assay Description
Inhibition activity against C. albicans Nmt and human Nmt as assessed by IC50 using myristoyl-CoA (0.5 uM) and peptide substrate GLTISKLFRR-NH2 (0.5 ...


Chem Biol 9: 1119-28 (2002)


Article DOI: 10.1016/S1074-5521(02)00240-5
BindingDB Entry DOI: 10.7270/Q2BV7F0C
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
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