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PubMed code 29125744

Compile data set for download or QSAR
Found 38 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))
BDBM50364113
PNG
(CHEMBL1230468)
Show SMILES Cc1nn(C)c(C)c1NS(=O)(=O)c1c(Cl)cc(cc1Cl)-c1ccnc(c1)N1CCNCC1
Show InChI InChI=1S/C21H24Cl2N6O2S/c1-13-20(14(2)28(3)26-13)27-32(30,31)21-17(22)10-16(11-18(21)23)15-4-5-25-19(12-15)29-8-6-24-7-9-29/h4-5,10-12,24,27H,6-9H2,1-3H3
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n/an/a 4n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human NMT1 using [3H]-myristoyl-coA/biotinylated CAP5.5 as substrate after 15 mins by scintillation/luminescence counting method


J Med Chem 60: 9790-9806 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01255
BindingDB Entry DOI: 10.7270/Q25141NZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50033617
PNG
(CHEMBL3358120)
Show SMILES CN1CCC(CCCCc2cc(Cl)c(c(Cl)c2)S(=O)(=O)N(C(F)F)c2c(C)nn(C)c2C)CC1
Show InChI InChI=1S/C23H32Cl2F2N4O2S/c1-15-21(16(2)30(4)28-15)31(23(26)27)34(32,33)22-19(24)13-18(14-20(22)25)8-6-5-7-17-9-11-29(3)12-10-17/h13-14,17,23H,5-12H2,1-4H3
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n/an/a 5n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human NMT1 using [3H]-myristoyl-coA/biotinylated CAP5.5 as substrate after 15 mins by scintillation/luminescence counting method


J Med Chem 60: 9790-9806 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01255
BindingDB Entry DOI: 10.7270/Q25141NZ
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50250777
PNG
(CHEMBL4080376)
Show SMILES Cc1ncccc1COc1cc(F)c(cc1F)-c1ccnc(c1)N1CCNCC1
Show InChI InChI=1S/C22H22F2N4O/c1-15-17(3-2-5-26-15)14-29-21-13-19(23)18(12-20(21)24)16-4-6-27-22(11-16)28-9-7-25-8-10-28/h2-6,11-13,25H,7-10,14H2,1H3
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n/an/a 10n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human NMT1 using [3H]-myristoyl-coA/biotinylated CAP5.5 as substrate after 15 mins by scintillation/luminescence counting method


J Med Chem 60: 9790-9806 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01255
BindingDB Entry DOI: 10.7270/Q25141NZ
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50033588
PNG
(CHEMBL3358114)
Show SMILES CN1CCC(CCCc2cc(Cl)c(c(Cl)c2)S(=O)(=O)N(C(F)F)c2c(C)nn(C)c2C)CC1
Show InChI InChI=1S/C22H30Cl2F2N4O2S/c1-14-20(15(2)29(4)27-14)30(22(25)26)33(31,32)21-18(23)12-17(13-19(21)24)7-5-6-16-8-10-28(3)11-9-16/h12-13,16,22H,5-11H2,1-4H3
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n/an/a 12n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human NMT1 using [3H]-myristoyl-coA/biotinylated CAP5.5 as substrate after 15 mins by scintillation/luminescence counting method


J Med Chem 60: 9790-9806 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01255
BindingDB Entry DOI: 10.7270/Q25141NZ
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50250776
PNG
(CHEMBL4069661)
Show SMILES Cc1ncccc1COc1cc(F)c(c(F)c1)-c1ccnc(c1)N1CCNCC1
Show InChI InChI=1S/C22H22F2N4O/c1-15-17(3-2-5-26-15)14-29-18-12-19(23)22(20(24)13-18)16-4-6-27-21(11-16)28-9-7-25-8-10-28/h2-6,11-13,25H,7-10,14H2,1H3
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n/an/a 30n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human NMT1 using [3H]-myristoyl-coA/biotinylated CAP5.5 as substrate after 15 mins by scintillation/luminescence counting method


J Med Chem 60: 9790-9806 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01255
BindingDB Entry DOI: 10.7270/Q25141NZ
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50250789
PNG
(CHEMBL4071314)
Show SMILES Cc1nc(C)c(COc2c(Cl)cc(cc2Cl)-c2ccnc(c2)N2CCNCC2)o1
Show InChI InChI=1S/C21H22Cl2N4O2/c1-13-19(29-14(2)26-13)12-28-21-17(22)9-16(10-18(21)23)15-3-4-25-20(11-15)27-7-5-24-6-8-27/h3-4,9-11,24H,5-8,12H2,1-2H3
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n/an/a 30n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human NMT1 using [3H]-myristoyl-coA/biotinylated CAP5.5 as substrate after 15 mins by scintillation/luminescence counting method


J Med Chem 60: 9790-9806 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01255
BindingDB Entry DOI: 10.7270/Q25141NZ
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50250794
PNG
(CHEMBL4080389)
Show SMILES Clc1cc(cc(Cl)c1OCc1cccnc1N1CCOCC1)-c1ccnc(c1)N1CCNCC1
Show InChI InChI=1S/C25H27Cl2N5O2/c26-21-14-20(18-3-5-29-23(16-18)31-8-6-28-7-9-31)15-22(27)24(21)34-17-19-2-1-4-30-25(19)32-10-12-33-13-11-32/h1-5,14-16,28H,6-13,17H2
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n/an/a 40n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human NMT1 using [3H]-myristoyl-coA/biotinylated CAP5.5 as substrate after 15 mins by scintillation/luminescence counting method


J Med Chem 60: 9790-9806 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01255
BindingDB Entry DOI: 10.7270/Q25141NZ
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50250781
PNG
(CHEMBL4104613)
Show SMILES CC(C)Cc1ncccc1COc1c(Cl)cc(cc1Cl)-c1ccnc(c1)N1CCNCC1
Show InChI InChI=1S/C25H28Cl2N4O/c1-17(2)12-23-19(4-3-6-29-23)16-32-25-21(26)13-20(14-22(25)27)18-5-7-30-24(15-18)31-10-8-28-9-11-31/h3-7,13-15,17,28H,8-12,16H2,1-2H3
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n/an/a 40n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human NMT1 using [3H]-myristoyl-coA/biotinylated CAP5.5 as substrate after 15 mins by scintillation/luminescence counting method


J Med Chem 60: 9790-9806 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01255
BindingDB Entry DOI: 10.7270/Q25141NZ
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50250793
PNG
(CHEMBL4096886)
Show SMILES CCCc1ncccc1COc1c(Cl)cc(cc1Cl)-c1ccnc(c1)N1CCNCC1
Show InChI InChI=1S/C24H26Cl2N4O/c1-2-4-22-18(5-3-7-28-22)16-31-24-20(25)13-19(14-21(24)26)17-6-8-29-23(15-17)30-11-9-27-10-12-30/h3,5-8,13-15,27H,2,4,9-12,16H2,1H3
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n/an/a 40n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human NMT1 using [3H]-myristoyl-coA/biotinylated CAP5.5 as substrate after 15 mins by scintillation/luminescence counting method


J Med Chem 60: 9790-9806 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01255
BindingDB Entry DOI: 10.7270/Q25141NZ
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50250786
PNG
(CHEMBL4096874)
Show SMILES Cc1ncccc1COc1ccc(c(F)c1)-c1ccnc(c1)N1CCNCC1
Show InChI InChI=1S/C22H23FN4O/c1-16-18(3-2-7-25-16)15-28-19-4-5-20(21(23)14-19)17-6-8-26-22(13-17)27-11-9-24-10-12-27/h2-8,13-14,24H,9-12,15H2,1H3
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n/an/a 60n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human NMT1 using [3H]-myristoyl-coA/biotinylated CAP5.5 as substrate after 15 mins by scintillation/luminescence counting method


J Med Chem 60: 9790-9806 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01255
BindingDB Entry DOI: 10.7270/Q25141NZ
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50250767
PNG
(CHEMBL4090626)
Show SMILES Cc1nc(C)c(COc2c(Cl)cc(cc2Cl)-c2ccnc(c2)N2CCNCC2)s1
Show InChI InChI=1S/C21H22Cl2N4OS/c1-13-19(29-14(2)26-13)12-28-21-17(22)9-16(10-18(21)23)15-3-4-25-20(11-15)27-7-5-24-6-8-27/h3-4,9-11,24H,5-8,12H2,1-2H3
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n/an/a 80n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human NMT1 using [3H]-myristoyl-coA/biotinylated CAP5.5 as substrate after 15 mins by scintillation/luminescence counting method


J Med Chem 60: 9790-9806 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01255
BindingDB Entry DOI: 10.7270/Q25141NZ
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50250775
PNG
(CHEMBL4062072)
Show SMILES Cc1cc(OCc2cccnc2C)ccc1-c1ccnc(c1)N1CCNCC1
Show InChI InChI=1S/C23H26N4O/c1-17-14-21(28-16-20-4-3-8-25-18(20)2)5-6-22(17)19-7-9-26-23(15-19)27-12-10-24-11-13-27/h3-9,14-15,24H,10-13,16H2,1-2H3
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n/an/a 80n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human NMT1 using [3H]-myristoyl-coA/biotinylated CAP5.5 as substrate after 15 mins by scintillation/luminescence counting method


J Med Chem 60: 9790-9806 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01255
BindingDB Entry DOI: 10.7270/Q25141NZ
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50250778
PNG
(CHEMBL4099270)
Show SMILES Cc1ncccc1COc1ccc(cc1)-c1ccnc(c1)N1CCNCC1
Show InChI InChI=1S/C22H24N4O/c1-17-20(3-2-9-24-17)16-27-21-6-4-18(5-7-21)19-8-10-25-22(15-19)26-13-11-23-12-14-26/h2-10,15,23H,11-14,16H2,1H3
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n/an/a 90n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human NMT1 using [3H]-myristoyl-coA/biotinylated CAP5.5 as substrate after 15 mins by scintillation/luminescence counting method


J Med Chem 60: 9790-9806 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01255
BindingDB Entry DOI: 10.7270/Q25141NZ
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50250773
PNG
(CHEMBL4088228)
Show SMILES Clc1cc(cc(Cl)c1OCc1cccnc1)-c1ccnc(c1)N1CCNCC1
Show InChI InChI=1S/C21H20Cl2N4O/c22-18-10-17(11-19(23)21(18)28-14-15-2-1-4-25-13-15)16-3-5-26-20(12-16)27-8-6-24-7-9-27/h1-5,10-13,24H,6-9,14H2
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n/an/a 100n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human NMT1 using [3H]-myristoyl-coA/biotinylated CAP5.5 as substrate after 15 mins by scintillation/luminescence counting method


J Med Chem 60: 9790-9806 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01255
BindingDB Entry DOI: 10.7270/Q25141NZ
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50250734
PNG
(CHEMBL4061001)
Show SMILES CC(C)CCc1ncccc1COc1c(Cl)cc(cc1Cl)-c1ccnc(c1)N1CCNCC1
Show InChI InChI=1S/C26H30Cl2N4O/c1-18(2)5-6-24-20(4-3-8-30-24)17-33-26-22(27)14-21(15-23(26)28)19-7-9-31-25(16-19)32-12-10-29-11-13-32/h3-4,7-9,14-16,18,29H,5-6,10-13,17H2,1-2H3
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n/an/a 180n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human NMT1 using [3H]-myristoyl-coA/biotinylated CAP5.5 as substrate after 15 mins by scintillation/luminescence counting method


J Med Chem 60: 9790-9806 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01255
BindingDB Entry DOI: 10.7270/Q25141NZ
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50250780
PNG
(CHEMBL4069679)
Show SMILES Clc1cc(cc(Cl)c1OCc1cccnc1-c1ccccc1)-c1ccnc(c1)N1CCNCC1
Show InChI InChI=1S/C27H24Cl2N4O/c28-23-15-22(20-8-10-31-25(17-20)33-13-11-30-12-14-33)16-24(29)27(23)34-18-21-7-4-9-32-26(21)19-5-2-1-3-6-19/h1-10,15-17,30H,11-14,18H2
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n/an/a 200n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human NMT1 using [3H]-myristoyl-coA/biotinylated CAP5.5 as substrate after 15 mins by scintillation/luminescence counting method


J Med Chem 60: 9790-9806 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01255
BindingDB Entry DOI: 10.7270/Q25141NZ
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50250771
PNG
(CHEMBL4081852)
Show SMILES Cc1ccnc(C)c1COc1c(Cl)cc(cc1Cl)-c1ccnc(c1)N1CCNCC1
Show InChI InChI=1S/C23H24Cl2N4O/c1-15-3-5-27-16(2)19(15)14-30-23-20(24)11-18(12-21(23)25)17-4-6-28-22(13-17)29-9-7-26-8-10-29/h3-6,11-13,26H,7-10,14H2,1-2H3
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n/an/a 200n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human NMT1 using [3H]-myristoyl-coA/biotinylated CAP5.5 as substrate after 15 mins by scintillation/luminescence counting method


J Med Chem 60: 9790-9806 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01255
BindingDB Entry DOI: 10.7270/Q25141NZ
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50250759
PNG
(CHEMBL4076087)
Show SMILES CCc1nc(C)c(COc2c(Cl)cc(cc2Cl)-c2ccnc(c2)N2CCNCC2)s1
Show InChI InChI=1S/C22H24Cl2N4OS/c1-3-21-27-14(2)19(30-21)13-29-22-17(23)10-16(11-18(22)24)15-4-5-26-20(12-15)28-8-6-25-7-9-28/h4-5,10-12,25H,3,6-9,13H2,1-2H3
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University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human NMT1 using [3H]-myristoyl-coA/biotinylated CAP5.5 as substrate after 15 mins by scintillation/luminescence counting method


J Med Chem 60: 9790-9806 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01255
BindingDB Entry DOI: 10.7270/Q25141NZ
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50250779
PNG
(CHEMBL4083888)
Show SMILES Cc1ncccc1COc1c(Cl)cc(cc1Cl)-c1ccnc(c1)N1CCNCC1
Show InChI InChI=1S/C22H22Cl2N4O/c1-15-17(3-2-5-26-15)14-29-22-19(23)11-18(12-20(22)24)16-4-6-27-21(13-16)28-9-7-25-8-10-28/h2-6,11-13,25H,7-10,14H2,1H3
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n/an/a 300n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human NMT1 using [3H]-myristoyl-coA/biotinylated CAP5.5 as substrate after 15 mins by scintillation/luminescence counting method


J Med Chem 60: 9790-9806 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01255
BindingDB Entry DOI: 10.7270/Q25141NZ
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50250787
PNG
(CHEMBL4101887)
Show SMILES Cc1ncccc1COc1ccc(cc1)-c1cccc(c1)C1CCNCC1
Show InChI InChI=1S/C24H26N2O/c1-18-23(6-3-13-26-18)17-27-24-9-7-19(8-10-24)21-4-2-5-22(16-21)20-11-14-25-15-12-20/h2-10,13,16,20,25H,11-12,14-15,17H2,1H3
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n/an/a 300n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human NMT1 using [3H]-myristoyl-coA/biotinylated CAP5.5 as substrate after 15 mins by scintillation/luminescence counting method


J Med Chem 60: 9790-9806 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01255
BindingDB Entry DOI: 10.7270/Q25141NZ
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50250769
PNG
(CHEMBL4089716)
Show SMILES Clc1cc(cc(Cl)c1OCCc1cccnc1)-c1ccnc(c1)N1CCNCC1
Show InChI InChI=1S/C22H22Cl2N4O/c23-19-12-18(17-3-6-27-21(14-17)28-9-7-25-8-10-28)13-20(24)22(19)29-11-4-16-2-1-5-26-15-16/h1-3,5-6,12-15,25H,4,7-11H2
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n/an/a 500n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human NMT1 using [3H]-myristoyl-coA/biotinylated CAP5.5 as substrate after 15 mins by scintillation/luminescence counting method


J Med Chem 60: 9790-9806 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01255
BindingDB Entry DOI: 10.7270/Q25141NZ
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50250790
PNG
(CHEMBL4068594)
Show SMILES Clc1cc(cc(Cl)c1OCCc1ccncc1)-c1ccnc(c1)N1CCNCC1
Show InChI InChI=1S/C22H22Cl2N4O/c23-19-13-18(17-3-7-27-21(15-17)28-10-8-26-9-11-28)14-20(24)22(19)29-12-4-16-1-5-25-6-2-16/h1-3,5-7,13-15,26H,4,8-12H2
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n/an/a 700n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human NMT1 using [3H]-myristoyl-coA/biotinylated CAP5.5 as substrate after 15 mins by scintillation/luminescence counting method


J Med Chem 60: 9790-9806 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01255
BindingDB Entry DOI: 10.7270/Q25141NZ
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50250760
PNG
(CHEMBL4078895)
Show SMILES Clc1cc(cc(Cl)c1OCc1cncs1)-c1ccnc(c1)N1CCNCC1
Show InChI InChI=1S/C19H18Cl2N4OS/c20-16-7-14(8-17(21)19(16)26-11-15-10-23-12-27-15)13-1-2-24-18(9-13)25-5-3-22-4-6-25/h1-2,7-10,12,22H,3-6,11H2
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n/an/a 900n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human NMT1 using [3H]-myristoyl-coA/biotinylated CAP5.5 as substrate after 15 mins by scintillation/luminescence counting method


J Med Chem 60: 9790-9806 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01255
BindingDB Entry DOI: 10.7270/Q25141NZ
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50250758
PNG
(CHEMBL4077369)
Show SMILES Cc1ncsc1COc1c(Cl)cc(cc1Cl)-c1ccnc(c1)N1CCNCC1
Show InChI InChI=1S/C20H20Cl2N4OS/c1-13-18(28-12-25-13)11-27-20-16(21)8-15(9-17(20)22)14-2-3-24-19(10-14)26-6-4-23-5-7-26/h2-3,8-10,12,23H,4-7,11H2,1H3
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n/an/a 900n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human NMT1 using [3H]-myristoyl-coA/biotinylated CAP5.5 as substrate after 15 mins by scintillation/luminescence counting method


J Med Chem 60: 9790-9806 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01255
BindingDB Entry DOI: 10.7270/Q25141NZ
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50250783
PNG
(CHEMBL4062043)
Show SMILES CN1CCC(CCCCc2cc(Cl)c(OCc3cccnc3C)c(Cl)c2)CC1
Show InChI InChI=1S/C23H30Cl2N2O/c1-17-20(8-5-11-26-17)16-28-23-21(24)14-19(15-22(23)25)7-4-3-6-18-9-12-27(2)13-10-18/h5,8,11,14-15,18H,3-4,6-7,9-10,12-13,16H2,1-2H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human NMT1 using [3H]-myristoyl-coA/biotinylated CAP5.5 as substrate after 15 mins by scintillation/luminescence counting method


J Med Chem 60: 9790-9806 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01255
BindingDB Entry DOI: 10.7270/Q25141NZ
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50250770
PNG
(CHEMBL4059932)
Show SMILES Clc1cc(cc(Cl)c1OCCc1ccccn1)-c1ccnc(c1)N1CCNCC1
Show InChI InChI=1S/C22H22Cl2N4O/c23-19-13-17(16-4-7-27-21(15-16)28-10-8-25-9-11-28)14-20(24)22(19)29-12-5-18-3-1-2-6-26-18/h1-4,6-7,13-15,25H,5,8-12H2
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human NMT1 using [3H]-myristoyl-coA/biotinylated CAP5.5 as substrate after 15 mins by scintillation/luminescence counting method


J Med Chem 60: 9790-9806 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01255
BindingDB Entry DOI: 10.7270/Q25141NZ
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50250792
PNG
(CHEMBL4076386)
Show SMILES Clc1cc(cc(Cl)c1OCc1ccncc1)-c1ccnc(c1)N1CCNCC1
Show InChI InChI=1S/C21H20Cl2N4O/c22-18-11-17(12-19(23)21(18)28-14-15-1-4-24-5-2-15)16-3-6-26-20(13-16)27-9-7-25-8-10-27/h1-6,11-13,25H,7-10,14H2
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human NMT1 using [3H]-myristoyl-coA/biotinylated CAP5.5 as substrate after 15 mins by scintillation/luminescence counting method


J Med Chem 60: 9790-9806 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01255
BindingDB Entry DOI: 10.7270/Q25141NZ
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50250791
PNG
(CHEMBL4065925)
Show SMILES Cc1ccc(COc2c(Cl)cc(cc2Cl)-c2ccnc(c2)N2CCNCC2)c(C)n1
Show InChI InChI=1S/C23H24Cl2N4O/c1-15-3-4-18(16(2)28-15)14-30-23-20(24)11-19(12-21(23)25)17-5-6-27-22(13-17)29-9-7-26-8-10-29/h3-6,11-13,26H,7-10,14H2,1-2H3
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n/an/a 1.30E+3n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human NMT1 using [3H]-myristoyl-coA/biotinylated CAP5.5 as substrate after 15 mins by scintillation/luminescence counting method


J Med Chem 60: 9790-9806 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01255
BindingDB Entry DOI: 10.7270/Q25141NZ
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50250774
PNG
(CHEMBL4095958)
Show SMILES Cc1cc(OCc2cccnc2C)cc(C)c1-c1ccnc(c1)N1CCNCC1
Show InChI InChI=1S/C24H28N4O/c1-17-13-22(29-16-21-5-4-7-26-19(21)3)14-18(2)24(17)20-6-8-27-23(15-20)28-11-9-25-10-12-28/h4-8,13-15,25H,9-12,16H2,1-3H3
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n/an/a 1.80E+3n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human NMT1 using [3H]-myristoyl-coA/biotinylated CAP5.5 as substrate after 15 mins by scintillation/luminescence counting method


J Med Chem 60: 9790-9806 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01255
BindingDB Entry DOI: 10.7270/Q25141NZ
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50250785
PNG
(CHEMBL4087726)
Show SMILES CC(C)c1nc(C)c(COc2c(Cl)cc(cc2Cl)-c2ccnc(c2)N2CCNCC2)s1
Show InChI InChI=1S/C23H26Cl2N4OS/c1-14(2)23-28-15(3)20(31-23)13-30-22-18(24)10-17(11-19(22)25)16-4-5-27-21(12-16)29-8-6-26-7-9-29/h4-5,10-12,14,26H,6-9,13H2,1-3H3
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n/an/a 3.80E+3n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human NMT1 using [3H]-myristoyl-coA/biotinylated CAP5.5 as substrate after 15 mins by scintillation/luminescence counting method


J Med Chem 60: 9790-9806 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01255
BindingDB Entry DOI: 10.7270/Q25141NZ
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50250768
PNG
(CHEMBL4062669)
Show SMILES Cc1cc(COc2c(Cl)cc(cc2Cl)-c2ccnc(c2)N2CCNCC2)no1
Show InChI InChI=1S/C20H20Cl2N4O2/c1-13-8-16(25-28-13)12-27-20-17(21)9-15(10-18(20)22)14-2-3-24-19(11-14)26-6-4-23-5-7-26/h2-3,8-11,23H,4-7,12H2,1H3
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n/an/a 4.40E+3n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human NMT1 using [3H]-myristoyl-coA/biotinylated CAP5.5 as substrate after 15 mins by scintillation/luminescence counting method


J Med Chem 60: 9790-9806 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01255
BindingDB Entry DOI: 10.7270/Q25141NZ
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50250772
PNG
(CHEMBL4093525)
Show SMILES Clc1cc(cc(Cl)c1OCc1ccccn1)-c1ccnc(c1)N1CCNCC1
Show InChI InChI=1S/C21H20Cl2N4O/c22-18-11-16(12-19(23)21(18)28-14-17-3-1-2-5-25-17)15-4-6-26-20(13-15)27-9-7-24-8-10-27/h1-6,11-13,24H,7-10,14H2
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n/an/a 6.50E+3n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human NMT1 using [3H]-myristoyl-coA/biotinylated CAP5.5 as substrate after 15 mins by scintillation/luminescence counting method


J Med Chem 60: 9790-9806 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01255
BindingDB Entry DOI: 10.7270/Q25141NZ
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50250788
PNG
(CHEMBL4103178)
Show SMILES Clc1cc(cc(Cl)c1OCc1cscn1)-c1ccnc(c1)N1CCNCC1
Show InChI InChI=1S/C19H18Cl2N4OS/c20-16-7-14(8-17(21)19(16)26-10-15-11-27-12-24-15)13-1-2-23-18(9-13)25-5-3-22-4-6-25/h1-2,7-9,11-12,22H,3-6,10H2
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n/an/a 9.90E+3n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human NMT1 using [3H]-myristoyl-coA/biotinylated CAP5.5 as substrate after 15 mins by scintillation/luminescence counting method


J Med Chem 60: 9790-9806 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01255
BindingDB Entry DOI: 10.7270/Q25141NZ
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50250784
PNG
(CHEMBL4105605)
Show SMILES CC(C)c1nc(COc2c(Cl)cc(cc2Cl)-c2ccnc(c2)N2CCNCC2)cs1
Show InChI InChI=1S/C22H24Cl2N4OS/c1-14(2)22-27-17(13-30-22)12-29-21-18(23)9-16(10-19(21)24)15-3-4-26-20(11-15)28-7-5-25-6-8-28/h3-4,9-11,13-14,25H,5-8,12H2,1-2H3
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n/an/a 1.20E+4n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human NMT1 using [3H]-myristoyl-coA/biotinylated CAP5.5 as substrate after 15 mins by scintillation/luminescence counting method


J Med Chem 60: 9790-9806 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01255
BindingDB Entry DOI: 10.7270/Q25141NZ
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50250761
PNG
(CHEMBL4094965)
Show SMILES Clc1cc(cc(Cl)c1OCc1nccs1)-c1ccnc(c1)N1CCNCC1
Show InChI InChI=1S/C19H18Cl2N4OS/c20-15-9-14(10-16(21)19(15)26-12-18-24-5-8-27-18)13-1-2-23-17(11-13)25-6-3-22-4-7-25/h1-2,5,8-11,22H,3-4,6-7,12H2
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n/an/a 1.40E+4n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human NMT1 using [3H]-myristoyl-coA/biotinylated CAP5.5 as substrate after 15 mins by scintillation/luminescence counting method


J Med Chem 60: 9790-9806 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01255
BindingDB Entry DOI: 10.7270/Q25141NZ
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50250764
PNG
(CHEMBL4067547)
Show SMILES Cc1nc(COc2c(Cl)cc(cc2Cl)-c2ccnc(c2)N2CCNCC2)cs1
Show InChI InChI=1S/C20H20Cl2N4OS/c1-13-25-16(12-28-13)11-27-20-17(21)8-15(9-18(20)22)14-2-3-24-19(10-14)26-6-4-23-5-7-26/h2-3,8-10,12,23H,4-7,11H2,1H3
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n/an/a 1.50E+4n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human NMT1 using [3H]-myristoyl-coA/biotinylated CAP5.5 as substrate after 15 mins by scintillation/luminescence counting method


J Med Chem 60: 9790-9806 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01255
BindingDB Entry DOI: 10.7270/Q25141NZ
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50250782
PNG
(CHEMBL4075895)
Show SMILES CCOc1ncccc1COc1c(Cl)cc(cc1Cl)-c1ccnc(c1)N1CCNCC1
Show InChI InChI=1S/C23H24Cl2N4O2/c1-2-30-23-17(4-3-6-28-23)15-31-22-19(24)12-18(13-20(22)25)16-5-7-27-21(14-16)29-10-8-26-9-11-29/h3-7,12-14,26H,2,8-11,15H2,1H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human NMT1 using [3H]-myristoyl-coA/biotinylated CAP5.5 as substrate after 15 mins by scintillation/luminescence counting method


J Med Chem 60: 9790-9806 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01255
BindingDB Entry DOI: 10.7270/Q25141NZ
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50250765
PNG
(CHEMBL4098349)
Show SMILES Cc1nc(COc2c(Cl)cc(cc2Cl)-c2ccnc(c2)N2CCNCC2)c(C)o1
Show InChI InChI=1S/C21H22Cl2N4O2/c1-13-19(26-14(2)29-13)12-28-21-17(22)9-16(10-18(21)23)15-3-4-25-20(11-15)27-7-5-24-6-8-27/h3-4,9-11,24H,5-8,12H2,1-2H3
PDB
MMDB

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PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human NMT1 using [3H]-myristoyl-coA/biotinylated CAP5.5 as substrate after 15 mins by scintillation/luminescence counting method


J Med Chem 60: 9790-9806 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01255
BindingDB Entry DOI: 10.7270/Q25141NZ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%