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Compile Data Set for Download or QSAR

Found 14 hits from Acadia University   
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)


(Homo sapiens (Human))
BDBM50313459
PNG
((Z)-4-oxo-4-(p-tolylamino)but-2-enoic acid | CHEMB...)
Show SMILES Cc1ccc(NC(=O)\C=C/C(O)=O)cc1
Show InChI InChI=1S/C11H11NO3/c1-8-2-4-9(5-3-8)12-10(13)6-7-11(14)15/h2-7H,1H3,(H,12,13)(H,14,15)/b7-6-
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n/an/a 5.30E+4n/an/an/an/an/an/a



Acadia University

Curated by ChEMBL


Assay Description
Inhibition of human NMT expressed in Escherichia coli DH5alpha cells


Bioorg Med Chem Lett 20: 1510-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.098
BindingDB Entry DOI: 10.7270/Q28P60NS
More data for this
Ligand-Target Pair
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(Homo sapiens (Human))
BDBM50313460
PNG
((Z)-4-oxo-4-(phenylamino)but-2-enoic acid | CHEMBL...)
Show SMILES OC(=O)\C=C/C(=O)Nc1ccccc1
Show InChI InChI=1S/C10H9NO3/c12-9(6-7-10(13)14)11-8-4-2-1-3-5-8/h1-7H,(H,11,12)(H,13,14)/b7-6-
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n/an/a 2.03E+5n/an/an/an/an/an/a



Acadia University

Curated by ChEMBL


Assay Description
Inhibition of human NMT expressed in Escherichia coli DH5alpha cells


Bioorg Med Chem Lett 20: 1510-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.098
BindingDB Entry DOI: 10.7270/Q28P60NS
More data for this
Ligand-Target Pair
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(Homo sapiens (Human))
BDBM50313458
PNG
((Z)-4-(4-nitrophenylamino)-4-oxobut-2-enoic acid |...)
Show SMILES OC(=O)\C=C/C(=O)Nc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C10H8N2O5/c13-9(5-6-10(14)15)11-7-1-3-8(4-2-7)12(16)17/h1-6H,(H,11,13)(H,14,15)/b6-5-
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n/an/a 2.46E+5n/an/an/an/an/an/a



Acadia University

Curated by ChEMBL


Assay Description
Inhibition of human NMT expressed in Escherichia coli DH5alpha cells


Bioorg Med Chem Lett 20: 1510-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.098
BindingDB Entry DOI: 10.7270/Q28P60NS
More data for this
Ligand-Target Pair
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(Homo sapiens (Human))
BDBM50313456
PNG
((Z)-methyl 4-(3,4-dichlorophenylamino)-4-oxobut-2-...)
Show SMILES COC(=O)\C=C/C(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C11H9Cl2NO3/c1-17-11(16)5-4-10(15)14-7-2-3-8(12)9(13)6-7/h2-6H,1H3,(H,14,15)/b5-4-
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n/an/a 4.32E+5n/an/an/an/an/an/a



Acadia University

Curated by ChEMBL


Assay Description
Inhibition of human NMT expressed in Escherichia coli DH5alpha cells


Bioorg Med Chem Lett 20: 1510-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.098
BindingDB Entry DOI: 10.7270/Q28P60NS
More data for this
Ligand-Target Pair
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(Homo sapiens (Human))
BDBM50313457
PNG
((Z)-4-(2,6-dimethylphenylamino)-4-oxobut-2-enoic a...)
Show SMILES Cc1cccc(C)c1NC(=O)\C=C/C(O)=O
Show InChI InChI=1S/C12H13NO3/c1-8-4-3-5-9(2)12(8)13-10(14)6-7-11(15)16/h3-7H,1-2H3,(H,13,14)(H,15,16)/b7-6-
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n/an/a 4.34E+5n/an/an/an/an/an/a



Acadia University

Curated by ChEMBL


Assay Description
Inhibition of human NMT expressed in Escherichia coli DH5alpha cells


Bioorg Med Chem Lett 20: 1510-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.098
BindingDB Entry DOI: 10.7270/Q28P60NS
More data for this
Ligand-Target Pair
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(Homo sapiens (Human))
BDBM50313454
PNG
((E)-4-(4-chlorophenylamino)-4-oxobut-2-enoic acid ...)
Show SMILES OC(=O)\C=C\C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C10H8ClNO3/c11-7-1-3-8(4-2-7)12-9(13)5-6-10(14)15/h1-6H,(H,12,13)(H,14,15)/b6-5+
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n/an/a 1.60E+6n/an/an/an/an/an/a



Acadia University

Curated by ChEMBL


Assay Description
Inhibition of human NMT expressed in Escherichia coli DH5alpha cells


Bioorg Med Chem Lett 20: 1510-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.098
BindingDB Entry DOI: 10.7270/Q28P60NS
More data for this
Ligand-Target Pair
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(Homo sapiens (Human))
BDBM50313447
PNG
(CHEMBL1086414 | Methyl N-(3,4-dimethylphenyl)fumar...)
Show SMILES COC(=O)\C=C\C(=O)Nc1ccc(C)c(C)c1
Show InChI InChI=1S/C13H15NO3/c1-9-4-5-11(8-10(9)2)14-12(15)6-7-13(16)17-3/h4-8H,1-3H3,(H,14,15)/b7-6+
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n/an/a 2.33E+6n/an/an/an/an/an/a



Acadia University

Curated by ChEMBL


Assay Description
Inhibition of human NMT expressed in Escherichia coli DH5alpha cells


Bioorg Med Chem Lett 20: 1510-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.098
BindingDB Entry DOI: 10.7270/Q28P60NS
More data for this
Ligand-Target Pair
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(Homo sapiens (Human))
BDBM50313450
PNG
((E)-4-(4-nitrophenylamino)-4-oxobut-2-enoic acid |...)
Show SMILES OC(=O)\C=C\C(=O)Nc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C10H8N2O5/c13-9(5-6-10(14)15)11-7-1-3-8(4-2-7)12(16)17/h1-6H,(H,11,13)(H,14,15)/b6-5+
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n/an/a 2.56E+6n/an/an/an/an/an/a



Acadia University

Curated by ChEMBL


Assay Description
Inhibition of human NMT expressed in Escherichia coli DH5alpha cells


Bioorg Med Chem Lett 20: 1510-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.098
BindingDB Entry DOI: 10.7270/Q28P60NS
More data for this
Ligand-Target Pair
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(Homo sapiens (Human))
BDBM50313453
PNG
((E)-4-(3,4-dichlorophenylamino)-4-oxobut-2-enoic a...)
Show SMILES OC(=O)\C=C\C(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C10H7Cl2NO3/c11-7-2-1-6(5-8(7)12)13-9(14)3-4-10(15)16/h1-5H,(H,13,14)(H,15,16)/b4-3+
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n/an/a 4.38E+6n/an/an/an/an/an/a



Acadia University

Curated by ChEMBL


Assay Description
Inhibition of human NMT expressed in Escherichia coli DH5alpha cells


Bioorg Med Chem Lett 20: 1510-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.098
BindingDB Entry DOI: 10.7270/Q28P60NS
More data for this
Ligand-Target Pair
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(Homo sapiens (Human))
BDBM50313451
PNG
((E)-4-(3,4-dimethylphenylamino)-4-oxobut-2-enoic a...)
Show SMILES Cc1ccc(NC(=O)\C=C\C(O)=O)cc1C
Show InChI InChI=1S/C12H13NO3/c1-8-3-4-10(7-9(8)2)13-11(14)5-6-12(15)16/h3-7H,1-2H3,(H,13,14)(H,15,16)/b6-5+
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n/an/a 7.55E+6n/an/an/an/an/an/a



Acadia University

Curated by ChEMBL


Assay Description
Inhibition of human NMT expressed in Escherichia coli DH5alpha cells


Bioorg Med Chem Lett 20: 1510-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.098
BindingDB Entry DOI: 10.7270/Q28P60NS
More data for this
Ligand-Target Pair
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(Homo sapiens (Human))
BDBM50313448
PNG
((E)-methyl 4-(3,4-dichlorophenylamino)-4-oxobut-2-...)
Show SMILES COC(=O)\C=C\C(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C11H9Cl2NO3/c1-17-11(16)5-4-10(15)14-7-2-3-8(12)9(13)6-7/h2-6H,1H3,(H,14,15)/b5-4+
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n/an/a>8.00E+6n/an/an/an/an/an/a



Acadia University

Curated by ChEMBL


Assay Description
Inhibition of human NMT expressed in Escherichia coli DH5alpha cells


Bioorg Med Chem Lett 20: 1510-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.098
BindingDB Entry DOI: 10.7270/Q28P60NS
More data for this
Ligand-Target Pair
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(Homo sapiens (Human))
BDBM50313452
PNG
((E)-4-oxo-4-(p-tolylamino)but-2-enoic acid | 4-oxo...)
Show SMILES Cc1ccc(NC(=O)\C=C\C(O)=O)cc1
Show InChI InChI=1S/C11H11NO3/c1-8-2-4-9(5-3-8)12-10(13)6-7-11(14)15/h2-7H,1H3,(H,12,13)(H,14,15)/b7-6+
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n/an/a 8.35E+6n/an/an/an/an/an/a



Acadia University

Curated by ChEMBL


Assay Description
Inhibition of human NMT expressed in Escherichia coli DH5alpha cells


Bioorg Med Chem Lett 20: 1510-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.098
BindingDB Entry DOI: 10.7270/Q28P60NS
More data for this
Ligand-Target Pair
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(Homo sapiens (Human))
BDBM50313455
PNG
((Z)-methyl 4-oxo-4-(p-tolylamino)but-2-enoate | CH...)
Show SMILES COC(=O)\C=C/C(=O)Nc1ccc(C)cc1
Show InChI InChI=1S/C12H13NO3/c1-9-3-5-10(6-4-9)13-11(14)7-8-12(15)16-2/h3-8H,1-2H3,(H,13,14)/b8-7-
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n/an/a>1.00E+7n/an/an/an/an/an/a



Acadia University

Curated by ChEMBL


Assay Description
Inhibition of human NMT expressed in Escherichia coli DH5alpha cells


Bioorg Med Chem Lett 20: 1510-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.098
BindingDB Entry DOI: 10.7270/Q28P60NS
More data for this
Ligand-Target Pair
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(Homo sapiens (Human))
BDBM50313449
PNG
((E)-methyl 4-(4-chlorophenylamino)-4-oxobut-2-enoa...)
Show SMILES COC(=O)\C=C\C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C11H10ClNO3/c1-16-11(15)7-6-10(14)13-9-4-2-8(12)3-5-9/h2-7H,1H3,(H,13,14)/b7-6+
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n/an/a 4.00E+8n/an/an/an/an/an/a



Acadia University

Curated by ChEMBL


Assay Description
Inhibition of human NMT expressed in Escherichia coli DH5alpha cells


Bioorg Med Chem Lett 20: 1510-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.098
BindingDB Entry DOI: 10.7270/Q28P60NS
More data for this
Ligand-Target Pair