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PubMed code 26962430

Compile data set for download or QSAR
Found 20 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))
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


Medchemcomm 6: 1767-1772 (2016)


BindingDB Entry DOI: 10.7270/Q27M09RK
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(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


Medchemcomm 6: 1767-1772 (2016)


BindingDB Entry DOI: 10.7270/Q27M09RK
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(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


Medchemcomm 6: 1767-1772 (2016)


BindingDB Entry DOI: 10.7270/Q27M09RK
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(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


Medchemcomm 6: 1767-1772 (2016)


BindingDB Entry DOI: 10.7270/Q27M09RK
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(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


Medchemcomm 6: 1767-1772 (2016)


BindingDB Entry DOI: 10.7270/Q27M09RK
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(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


Medchemcomm 6: 1767-1772 (2016)


BindingDB Entry DOI: 10.7270/Q27M09RK
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(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


Medchemcomm 6: 1767-1772 (2016)


BindingDB Entry DOI: 10.7270/Q27M09RK
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50135529
PNG
(CHEMBL3754678)
Show SMILES CN1CCC(CC1)Oc1ncccc1-c1nc(Cc2c(C)nn(C)c2C)no1
Show InChI InChI=1S/C20H26N6O2/c1-13-17(14(2)26(4)23-13)12-18-22-20(28-24-18)16-6-5-9-21-19(16)27-15-7-10-25(3)11-8-15/h5-6,9,15H,7-8,10-12H2,1-4H3
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510n/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


Medchemcomm 6: 1767-1772 (2016)


BindingDB Entry DOI: 10.7270/Q27M09RK
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50135701
PNG
(CHEMBL3754641)
Show SMILES COc1cccc(Cc2noc(n2)-c2ccc(F)cc2OC2CCNCC2)c1
Show InChI InChI=1S/C12H21N2O/c1-11(2)14(3,4)8-9-15-12-6-5-7-13-10-12/h5-7,10-11H,8-9H2,1-4H3/q+1
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540n/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


Medchemcomm 6: 1767-1772 (2016)


BindingDB Entry DOI: 10.7270/Q27M09RK
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50134769
PNG
(CHEMBL3754615)
Show SMILES Clc1ccc(OC2CCNCC2)c(c1)-c1nc(Cc2ccccc2)no1
Show InChI InChI=1S/C20H20ClN3O2/c21-15-6-7-18(25-16-8-10-22-11-9-16)17(13-15)20-23-19(24-26-20)12-14-4-2-1-3-5-14/h1-7,13,16,22H,8-12H2
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730n/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


Medchemcomm 6: 1767-1772 (2016)


BindingDB Entry DOI: 10.7270/Q27M09RK
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50134768
PNG
(CHEMBL3753269)
Show SMILES Fc1ccc(OC2CCNCC2)c(c1)-c1nc(Cc2ccccc2)no1
Show InChI InChI=1S/C20H20FN3O2/c21-15-6-7-18(25-16-8-10-22-11-9-16)17(13-15)20-23-19(24-26-20)12-14-4-2-1-3-5-14/h1-7,13,16,22H,8-12H2
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1.00E+3n/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


Medchemcomm 6: 1767-1772 (2016)


BindingDB Entry DOI: 10.7270/Q27M09RK
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50134764
PNG
(CHEMBL3754427)
Show SMILES COc1ccc(-c2nc(Cc3ccccc3)no2)c(OC2CCNCC2)c1
Show InChI InChI=1S/C21H23N3O3/c1-25-17-7-8-18(19(14-17)26-16-9-11-22-12-10-16)21-23-20(24-27-21)13-15-5-3-2-4-6-15/h2-8,14,16,22H,9-13H2,1H3
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1.20E+3n/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


Medchemcomm 6: 1767-1772 (2016)


BindingDB Entry DOI: 10.7270/Q27M09RK
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50135481
PNG
(CHEMBL3754110)
Show SMILES COc1cccc(Cc2noc(n2)-c2ccccc2OC2CCNCC2)c1
Show InChI InChI=1S/C21H23N3O3/c1-25-17-6-4-5-15(13-17)14-20-23-21(27-24-20)18-7-2-3-8-19(18)26-16-9-11-22-12-10-16/h2-8,13,16,22H,9-12,14H2,1H3
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1.40E+3n/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


Medchemcomm 6: 1767-1772 (2016)


BindingDB Entry DOI: 10.7270/Q27M09RK
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50134761
PNG
(CHEMBL3754347)
Show SMILES C(c1noc(n1)-c1cccnc1OC1CCNCC1)c1ccccc1
Show InChI InChI=1S/C19H20N4O2/c1-2-5-14(6-3-1)13-17-22-19(25-23-17)16-7-4-10-21-18(16)24-15-8-11-20-12-9-15/h1-7,10,15,20H,8-9,11-13H2
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1.70E+3n/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


Medchemcomm 6: 1767-1772 (2016)


BindingDB Entry DOI: 10.7270/Q27M09RK
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50134767
PNG
(CHEMBL3754003)
Show SMILES COc1ccc(OC2CCNCC2)c(c1)-c1nc(Cc2ccccc2)no1
Show InChI InChI=1S/C21H23N3O3/c1-25-17-7-8-19(26-16-9-11-22-12-10-16)18(14-17)21-23-20(24-27-21)13-15-5-3-2-4-6-15/h2-8,14,16,22H,9-13H2,1H3
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2.30E+3n/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


Medchemcomm 6: 1767-1772 (2016)


BindingDB Entry DOI: 10.7270/Q27M09RK
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50134765
PNG
(CHEMBL3753135)
Show SMILES Fc1ccc(-c2nc(Cc3ccccc3)no2)c(OC2CCNCC2)c1
Show InChI InChI=1S/C20H20FN3O2/c21-15-6-7-17(18(13-15)25-16-8-10-22-11-9-16)20-23-19(24-26-20)12-14-4-2-1-3-5-14/h1-7,13,16,22H,8-12H2
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4.90E+3n/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


Medchemcomm 6: 1767-1772 (2016)


BindingDB Entry DOI: 10.7270/Q27M09RK
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50134762
PNG
(CHEMBL3752013)
Show SMILES Fc1cccc(-c2nc(Cc3ccccc3)no2)c1OC1CCNCC1
Show InChI InChI=1S/C20H20FN3O2/c21-17-8-4-7-16(19(17)25-15-9-11-22-12-10-15)20-23-18(24-26-20)13-14-5-2-1-3-6-14/h1-8,15,22H,9-13H2
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1.50E+4n/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


Medchemcomm 6: 1767-1772 (2016)


BindingDB Entry DOI: 10.7270/Q27M09RK
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50134766
PNG
(CHEMBL3753299)
Show SMILES Clc1ccc(-c2nc(Cc3ccccc3)no2)c(OC2CCNCC2)c1
Show InChI InChI=1S/C20H20ClN3O2/c21-15-6-7-17(18(13-15)25-16-8-10-22-11-9-16)20-23-19(24-26-20)12-14-4-2-1-3-5-14/h1-7,13,16,22H,8-12H2
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1.70E+4n/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


Medchemcomm 6: 1767-1772 (2016)


BindingDB Entry DOI: 10.7270/Q27M09RK
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50134763
PNG
(CHEMBL3754584)
Show SMILES C(c1noc(n1)-c1ccccc1OC1CCNCC1)c1ccccc1
Show InChI InChI=1S/C20H21N3O2/c1-2-6-15(7-3-1)14-19-22-20(25-23-19)17-8-4-5-9-18(17)24-16-10-12-21-13-11-16/h1-9,16,21H,10-14H2
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3.40E+4n/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


Medchemcomm 6: 1767-1772 (2016)


BindingDB Entry DOI: 10.7270/Q27M09RK
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50134760
PNG
(CHEMBL3751916)
Show SMILES Cc1ccc(-c2nc(Cc3ccccc3)no2)c(OC2CCNCC2)c1
Show InChI InChI=1S/C21H23N3O2/c1-15-7-8-18(19(13-15)25-17-9-11-22-12-10-17)21-23-20(24-26-21)14-16-5-3-2-4-6-16/h2-8,13,17,22H,9-12,14H2,1H3
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4.40E+4n/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


Medchemcomm 6: 1767-1772 (2016)


BindingDB Entry DOI: 10.7270/Q27M09RK
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%