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Articleid 50029761

Compile data set for download or QSAR
Found 11 hits of Enzyme Inhibition Constant Data   
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 1


(Homo sapiens (Human))
BDBM50059429
PNG
((S)-6-Amino-2-[(S)-3-hydroxy-2-((R)-2-{4-[4-(2-met...)
Show SMILES C[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)NCCC1CCCCC1)c1ccc(CCCCn2ccnc2C)cc1
Show InChI InChI=1S/C34H54N6O4/c1-25(29-16-14-28(15-17-29)12-7-9-22-40-23-21-36-26(40)2)32(42)39-31(24-41)34(44)38-30(13-6-8-19-35)33(43)37-20-18-27-10-4-3-5-11-27/h14-17,21,23,25,27,30-31,41H,3-13,18-20,22,24,35H2,1-2H3,(H,37,43)(H,38,44)(H,39,42)/t25-,30+,31+/m1/s1
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Article
n/an/a 20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory activity against Candida albicans N-Myristoyltransferase (NMT)


Bioorg Med Chem Lett 6: 1977-1982 (1996)


Article DOI: 10.1016/0960-894X(96)00354-X
BindingDB Entry DOI: 10.7270/Q2TH8MPP
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50059427
PNG
((S)-6-Amino-2-[(S)-3-hydroxy-2-(2-{4-[4-(2-methyl-...)
Show SMILES CC(C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)NCCC1CCCCC1)c1ccc(CCCCn2ccnc2C)cc1
Show InChI InChI=1S/C34H54N6O4/c1-25(29-16-14-28(15-17-29)12-7-9-22-40-23-21-36-26(40)2)32(42)39-31(24-41)34(44)38-30(13-6-8-19-35)33(43)37-20-18-27-10-4-3-5-11-27/h14-17,21,23,25,27,30-31,41H,3-13,18-20,22,24,35H2,1-2H3,(H,37,43)(H,38,44)(H,39,42)/t25?,30-,31-/m0/s1
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Article
n/an/a 40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory activity against Candida albicans N-Myristoyltransferase (NMT)


Bioorg Med Chem Lett 6: 1977-1982 (1996)


Article DOI: 10.1016/0960-894X(96)00354-X
BindingDB Entry DOI: 10.7270/Q2TH8MPP
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50059419
PNG
((S)-6-Amino-2-[(S)-3-hydroxy-2-(2-{4-[4-(2-methyl-...)
Show SMILES CCC(C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)NCCC1CCCCC1)c1ccc(CCCCn2ccnc2C)cc1
Show InChI InChI=1S/C35H56N6O4/c1-3-30(29-17-15-28(16-18-29)13-8-10-23-41-24-22-37-26(41)2)33(43)40-32(25-42)35(45)39-31(14-7-9-20-36)34(44)38-21-19-27-11-5-4-6-12-27/h15-18,22,24,27,30-32,42H,3-14,19-21,23,25,36H2,1-2H3,(H,38,44)(H,39,45)(H,40,43)/t30?,31-,32-/m0/s1
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Article
n/an/a 42n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory activity against Candida albicans N-Myristoyltransferase (NMT)


Bioorg Med Chem Lett 6: 1977-1982 (1996)


Article DOI: 10.1016/0960-894X(96)00354-X
BindingDB Entry DOI: 10.7270/Q2TH8MPP
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
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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Article
n/an/a 60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory activity against Candida albicans N-Myristoyltransferase (NMT)


Bioorg Med Chem Lett 6: 1977-1982 (1996)


Article DOI: 10.1016/0960-894X(96)00354-X
BindingDB Entry DOI: 10.7270/Q2TH8MPP
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50059428
PNG
((S)-6-Amino-2-[(S)-3-hydroxy-2-(2-{4-[4-(2-methyl-...)
Show SMILES CCCC(C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)NCCC1CCCCC1)c1ccc(CCCCn2ccnc2C)cc1
Show InChI InChI=1S/C36H58N6O4/c1-3-11-31(30-18-16-29(17-19-30)14-8-10-24-42-25-23-38-27(42)2)34(44)41-33(26-43)36(46)40-32(15-7-9-21-37)35(45)39-22-20-28-12-5-4-6-13-28/h16-19,23,25,28,31-33,43H,3-15,20-22,24,26,37H2,1-2H3,(H,39,45)(H,40,46)(H,41,44)/t31?,32-,33-/m0/s1
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Article
n/an/a 130n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory activity against Candida albicans N-Myristoyltransferase (NMT)


Bioorg Med Chem Lett 6: 1977-1982 (1996)


Article DOI: 10.1016/0960-894X(96)00354-X
BindingDB Entry DOI: 10.7270/Q2TH8MPP
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50059428
PNG
((S)-6-Amino-2-[(S)-3-hydroxy-2-(2-{4-[4-(2-methyl-...)
Show SMILES CCCC(C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)NCCC1CCCCC1)c1ccc(CCCCn2ccnc2C)cc1
Show InChI InChI=1S/C36H58N6O4/c1-3-11-31(30-18-16-29(17-19-30)14-8-10-24-42-25-23-38-27(42)2)34(44)41-33(26-43)36(46)40-32(15-7-9-21-37)35(45)39-22-20-28-12-5-4-6-13-28/h16-19,23,25,28,31-33,43H,3-15,20-22,24,26,37H2,1-2H3,(H,39,45)(H,40,46)(H,41,44)/t31?,32-,33-/m0/s1
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Article
n/an/a 490n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory activity against human N-Myristoyltransferase (NMT)


Bioorg Med Chem Lett 6: 1977-1982 (1996)


Article DOI: 10.1016/0960-894X(96)00354-X
BindingDB Entry DOI: 10.7270/Q2TH8MPP
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50059419
PNG
((S)-6-Amino-2-[(S)-3-hydroxy-2-(2-{4-[4-(2-methyl-...)
Show SMILES CCC(C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)NCCC1CCCCC1)c1ccc(CCCCn2ccnc2C)cc1
Show InChI InChI=1S/C35H56N6O4/c1-3-30(29-17-15-28(16-18-29)13-8-10-23-41-24-22-37-26(41)2)33(43)40-32(25-42)35(45)39-31(14-7-9-20-36)34(44)38-21-19-27-11-5-4-6-12-27/h15-18,22,24,27,30-32,42H,3-14,19-21,23,25,36H2,1-2H3,(H,38,44)(H,39,45)(H,40,43)/t30?,31-,32-/m0/s1
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Article
n/an/a 1.54E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory activity against human N-Myristoyltransferase (NMT)


Bioorg Med Chem Lett 6: 1977-1982 (1996)


Article DOI: 10.1016/0960-894X(96)00354-X
BindingDB Entry DOI: 10.7270/Q2TH8MPP
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50059427
PNG
((S)-6-Amino-2-[(S)-3-hydroxy-2-(2-{4-[4-(2-methyl-...)
Show SMILES CC(C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)NCCC1CCCCC1)c1ccc(CCCCn2ccnc2C)cc1
Show InChI InChI=1S/C34H54N6O4/c1-25(29-16-14-28(15-17-29)12-7-9-22-40-23-21-36-26(40)2)32(42)39-31(24-41)34(44)38-30(13-6-8-19-35)33(43)37-20-18-27-10-4-3-5-11-27/h14-17,21,23,25,27,30-31,41H,3-13,18-20,22,24,35H2,1-2H3,(H,37,43)(H,38,44)(H,39,42)/t25?,30-,31-/m0/s1
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Article
n/an/a 8.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory activity against human N-Myristoyltransferase (NMT)


Bioorg Med Chem Lett 6: 1977-1982 (1996)


Article DOI: 10.1016/0960-894X(96)00354-X
BindingDB Entry DOI: 10.7270/Q2TH8MPP
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50059429
PNG
((S)-6-Amino-2-[(S)-3-hydroxy-2-((R)-2-{4-[4-(2-met...)
Show SMILES C[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)NCCC1CCCCC1)c1ccc(CCCCn2ccnc2C)cc1
Show InChI InChI=1S/C34H54N6O4/c1-25(29-16-14-28(15-17-29)12-7-9-22-40-23-21-36-26(40)2)32(42)39-31(24-41)34(44)38-30(13-6-8-19-35)33(43)37-20-18-27-10-4-3-5-11-27/h14-17,21,23,25,27,30-31,41H,3-13,18-20,22,24,35H2,1-2H3,(H,37,43)(H,38,44)(H,39,42)/t25-,30+,31+/m1/s1
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Article
n/an/a 8.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory activity against human N-Myristoyltransferase (NMT)


Bioorg Med Chem Lett 6: 1977-1982 (1996)


Article DOI: 10.1016/0960-894X(96)00354-X
BindingDB Entry DOI: 10.7270/Q2TH8MPP
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50059434
PNG
((S)-6-Amino-2-[(S)-3-hydroxy-2-((S)-2-{4-[4-(2-met...)
Show SMILES C[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)NCCC1CCCCC1)c1ccc(CCCCn2ccnc2C)cc1
Show InChI InChI=1S/C34H54N6O4/c1-25(29-16-14-28(15-17-29)12-7-9-22-40-23-21-36-26(40)2)32(42)39-31(24-41)34(44)38-30(13-6-8-19-35)33(43)37-20-18-27-10-4-3-5-11-27/h14-17,21,23,25,27,30-31,41H,3-13,18-20,22,24,35H2,1-2H3,(H,37,43)(H,38,44)(H,39,42)/t25-,30-,31-/m0/s1
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Article
n/an/a 4.90E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory activity against human N-Myristoyltransferase (NMT)


Bioorg Med Chem Lett 6: 1977-1982 (1996)


Article DOI: 10.1016/0960-894X(96)00354-X
BindingDB Entry DOI: 10.7270/Q2TH8MPP
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50059434
PNG
((S)-6-Amino-2-[(S)-3-hydroxy-2-((S)-2-{4-[4-(2-met...)
Show SMILES C[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)NCCC1CCCCC1)c1ccc(CCCCn2ccnc2C)cc1
Show InChI InChI=1S/C34H54N6O4/c1-25(29-16-14-28(15-17-29)12-7-9-22-40-23-21-36-26(40)2)32(42)39-31(24-41)34(44)38-30(13-6-8-19-35)33(43)37-20-18-27-10-4-3-5-11-27/h14-17,21,23,25,27,30-31,41H,3-13,18-20,22,24,35H2,1-2H3,(H,37,43)(H,38,44)(H,39,42)/t25-,30-,31-/m0/s1
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Article
n/an/a 4.90E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory activity against Candida albicans N-Myristoyltransferase (NMT)


Bioorg Med Chem Lett 6: 1977-1982 (1996)


Article DOI: 10.1016/0960-894X(96)00354-X
BindingDB Entry DOI: 10.7270/Q2TH8MPP
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%