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Compile Data Set for Download or QSAR

Found 146 hits of ki data for polymerid = 4601,4602,50006191   
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
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(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
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 ...


Citation and Details
More data for this
Ligand-Target Pair
Peptide N-myristoyltransferase


(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


Citation and Details
More data for this
Ligand-Target Pair
Peptide N-myristoyltransferase


(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


Citation and Details
More data for this
Ligand-Target Pair
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(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
Show InChI InChI=1/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-/s2
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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)

More data for this
Ligand-Target Pair
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(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
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 ...


Citation and Details
More data for this
Ligand-Target Pair
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(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
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 ...


Citation and Details
More data for this
Ligand-Target Pair
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(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
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 ...


Citation and Details
More data for this
Ligand-Target Pair
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(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
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 ...


Citation and Details
More data for this
Ligand-Target Pair
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(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
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 ...


Citation and Details
More data for this
Ligand-Target Pair
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(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
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 ...


Citation and Details
More data for this
Ligand-Target Pair
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(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
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 ...


Citation and Details
More data for this
Ligand-Target Pair
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(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
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 ...


Citation and Details
More data for this
Ligand-Target Pair
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(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 ...


Citation and Details
More data for this
Ligand-Target Pair
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(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
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 ...


Citation and Details
More data for this
Ligand-Target Pair
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(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
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 ...


Citation and Details
More data for this
Ligand-Target Pair
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(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
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 ...


Citation and Details
More data for this
Ligand-Target Pair
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(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
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 ...


Citation and Details
More data for this
Ligand-Target Pair
Peptide N-myristoyltransferase


(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


Citation and Details
More data for this
Ligand-Target Pair
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(Candida albicans (Yeast))
BDBM43854
PNG
(2-[(veratroylhydrazono)methyl]benzoic acid | 2-[[(...)
Show SMILES COc1ccc(cc1OC)C(=O)NN=Cc1ccccc1C(O)=O
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 ...


Citation and Details
More data for this
Ligand-Target Pair
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(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
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 ...


Citation and Details
More data for this
Ligand-Target Pair
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(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
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 ...


Citation and Details
More data for this
Ligand-Target Pair
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(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
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 ...


Citation and Details
More data for this
Ligand-Target Pair
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(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
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 ...


Citation and Details
More data for this
Ligand-Target Pair
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(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 ...


Citation and Details
More data for this
Ligand-Target Pair
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(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
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 ...


Citation and Details
More data for this
Ligand-Target Pair
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(Candida albicans (Yeast))
BDBM43854
PNG
(2-[(veratroylhydrazono)methyl]benzoic acid | 2-[[(...)
Show SMILES COc1ccc(cc1OC)C(=O)NN=Cc1ccccc1C(O)=O
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 ...


Citation and Details
More data for this
Ligand-Target Pair
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(Candida albicans (Yeast))
BDBM43854
PNG
(2-[(veratroylhydrazono)methyl]benzoic acid | 2-[[(...)
Show SMILES COc1ccc(cc1OC)C(=O)NN=Cc1ccccc1C(O)=O
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 ...


Citation and Details
More data for this
Ligand-Target Pair
Peptide N-myristoyltransferase


(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


Citation and Details
More data for this
Ligand-Target Pair
Peptide N-myristoyltransferase


(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


Citation and Details
More data for this
Ligand-Target Pair
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(Candida albicans (Yeast))
BDBM43854
PNG
(2-[(veratroylhydrazono)methyl]benzoic acid | 2-[[(...)
Show SMILES COc1ccc(cc1OC)C(=O)NN=Cc1ccccc1C(O)=O
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 ...


Citation and Details
More data for this
Ligand-Target Pair
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(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
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 ...


Citation and Details
More data for this
Ligand-Target Pair
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(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 ...


Citation and Details
More data for this
Ligand-Target Pair
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(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
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 ...


Citation and Details
More data for this
Ligand-Target Pair
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(Candida albicans (Yeast))
BDBM43854
PNG
(2-[(veratroylhydrazono)methyl]benzoic acid | 2-[[(...)
Show SMILES COc1ccc(cc1OC)C(=O)NN=Cc1ccccc1C(O)=O
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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250n/a 830n/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 ...


Citation and Details
More data for this
Ligand-Target Pair
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(Candida albicans (Yeast))
BDBM43854
PNG
(2-[(veratroylhydrazono)methyl]benzoic acid | 2-[[(...)
Show SMILES COc1ccc(cc1OC)C(=O)NN=Cc1ccccc1C(O)=O
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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250n/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 ...


Citation and Details
More data for this
Ligand-Target Pair
Peptide N-myristoyltransferase


(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


Citation and Details
More data for this
Ligand-Target Pair
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(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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260n/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 ...


Citation and Details
More data for this
Ligand-Target Pair
Peptide N-myristoyltransferase


(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


Citation and Details
More data for this
Ligand-Target Pair
Peptide N-myristoyltransferase


(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


Citation and Details
More data for this
Ligand-Target Pair
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(Candida albicans (Yeast))
BDBM43854
PNG
(2-[(veratroylhydrazono)methyl]benzoic acid | 2-[[(...)
Show SMILES COc1ccc(cc1OC)C(=O)NN=Cc1ccccc1C(O)=O
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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270n/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 ...


Citation and Details
More data for this
Ligand-Target Pair
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(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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280n/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 ...


Citation and Details
More data for this
Ligand-Target Pair
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(Candida albicans (Yeast))
BDBM43854
PNG
(2-[(veratroylhydrazono)methyl]benzoic acid | 2-[[(...)
Show SMILES COc1ccc(cc1OC)C(=O)NN=Cc1ccccc1C(O)=O
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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300n/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 ...


Citation and Details
More data for this
Ligand-Target Pair
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(Candida albicans (Yeast))
BDBM43854
PNG
(2-[(veratroylhydrazono)methyl]benzoic acid | 2-[[(...)
Show SMILES COc1ccc(cc1OC)C(=O)NN=Cc1ccccc1C(O)=O
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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350n/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 ...


Citation and Details
More data for this
Ligand-Target Pair
Peptide N-myristoyltransferase


(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


Citation and Details
More data for this
Ligand-Target Pair
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(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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360n/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 ...


Citation and Details
More data for this
Ligand-Target Pair
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(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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390n/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 ...


Citation and Details
More data for this
Ligand-Target Pair
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(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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420n/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 ...


Citation and Details
More data for this
Ligand-Target Pair
Peptide N-myristoyltransferase


(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


Citation and Details
More data for this
Ligand-Target Pair
Peptide N-myristoyltransferase


(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


Citation and Details
More data for this
Ligand-Target Pair
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