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Compile Data Set for Download or QSAR

Found 214 hits with Last Name = 'robinson' and Initial = 'da'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Pteridine Reductase 1 (PTR1)


(Trypanosoma brucei brucei)
BDBM31801
PNG
(2-aminobenzimidazole deriv., 12)
Show SMILES Nc1nc2cccc(-c3ccccc3)c2n1Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H15Cl2N3/c21-16-10-9-13(11-17(16)22)12-25-19-15(14-5-2-1-3-6-14)7-4-8-18(19)24-20(25)23/h1-11H,12H2,(H2,23,24)
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7 -46.2n/an/an/an/an/a6.023



University of Dundee



Assay Description
TbPTR1 activity was measured in 96-well microtiter plates via reduction of cytochrome c (cytc) as a result of the enzymatic production of tetrahydrob...


J Med Chem 52: 4454-65 (2009)


Article DOI: 10.1021/jm900414x
BindingDB Entry DOI: 10.7270/Q28050X3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Pteridine Reductase 1 (PTR1)


(Trypanosoma brucei brucei)
BDBM31800
PNG
(2-aminobenzimidazole deriv., 11)
Show SMILES CCCOc1cccc2nc(N)n(Cc3ccc(Cl)c(Cl)c3)c12
Show InChI InChI=1S/C17H17Cl2N3O/c1-2-8-23-15-5-3-4-14-16(15)22(17(20)21-14)10-11-6-7-12(18)13(19)9-11/h3-7,9H,2,8,10H2,1H3,(H2,20,21)
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47 -41.5n/an/an/an/an/a6.023



University of Dundee



Assay Description
TbPTR1 activity was measured in 96-well microtiter plates via reduction of cytochrome c (cytc) as a result of the enzymatic production of tetrahydrob...


J Med Chem 52: 4454-65 (2009)


Article DOI: 10.1021/jm900414x
BindingDB Entry DOI: 10.7270/Q28050X3
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Pteridine Reductase 1 (PTR1)


(Trypanosoma brucei brucei)
BDBM31798
PNG
(2-aminobenzimidazole deriv., 9)
Show SMILES Nc1nc2ccccc2n1Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C14H11Cl2N3/c15-10-6-5-9(7-11(10)16)8-19-13-4-2-1-3-12(13)18-14(19)17/h1-7H,8H2,(H2,17,18)
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400 -36.3n/an/an/an/an/a6.023



University of Dundee



Assay Description
TbPTR1 activity was measured in 96-well microtiter plates via reduction of cytochrome c (cytc) as a result of the enzymatic production of tetrahydrob...


J Med Chem 52: 4454-65 (2009)


Article DOI: 10.1021/jm900414x
BindingDB Entry DOI: 10.7270/Q28050X3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Pteridine Reductase 1 (PTR1)


(Trypanosoma brucei brucei)
BDBM31799
PNG
(2-aminobenzimidazole deriv., 10)
Show SMILES Nc1nc2cccc(Cl)c2n1Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C14H10Cl3N3/c15-9-5-4-8(6-11(9)17)7-20-13-10(16)2-1-3-12(13)19-14(20)18/h1-6H,7H2,(H2,18,19)
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510 -35.7n/an/an/an/an/a6.023



University of Dundee



Assay Description
TbPTR1 activity was measured in 96-well microtiter plates via reduction of cytochrome c (cytc) as a result of the enzymatic production of tetrahydrob...


J Med Chem 52: 4454-65 (2009)


Article DOI: 10.1021/jm900414x
BindingDB Entry DOI: 10.7270/Q28050X3
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Pteridine Reductase 1 (PTR1)


(Trypanosoma brucei brucei)
BDBM31795
PNG
(2-aminobenzimidazole deriv., 6)
Show SMILES Cc1cccc(c1)-c1ccc2nc(N)[nH]c2c1
Show InChI InChI=1S/C14H13N3/c1-9-3-2-4-10(7-9)11-5-6-12-13(8-11)17-14(15)16-12/h2-8H,1H3,(H3,15,16,17)
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9.80E+3 -28.4n/an/an/an/an/a6.023



University of Dundee



Assay Description
TbPTR1 activity was measured in 96-well microtiter plates via reduction of cytochrome c (cytc) as a result of the enzymatic production of tetrahydrob...


J Med Chem 52: 4454-65 (2009)


Article DOI: 10.1021/jm900414x
BindingDB Entry DOI: 10.7270/Q28050X3
More data for this
Ligand-Target Pair
Pteridine Reductase 1 (PTR1)


(Trypanosoma brucei brucei)
BDBM31794
PNG
(2-aminobenzimidazole deriv., 4 | 5-Chloro-1H-benzo...)
Show SMILES Nc1nc2ccc(Cl)cc2[nH]1
Show InChI InChI=1S/C7H6ClN3/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H3,9,10,11)
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1.06E+4 -28.2n/an/an/an/an/a6.023



University of Dundee



Assay Description
TbPTR1 activity was measured in 96-well microtiter plates via reduction of cytochrome c (cytc) as a result of the enzymatic production of tetrahydrob...


J Med Chem 52: 4454-65 (2009)


Article DOI: 10.1021/jm900414x
BindingDB Entry DOI: 10.7270/Q28050X3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Pteridine Reductase 1 (PTR1)


(Trypanosoma brucei brucei)
BDBM31791
PNG
(2-aminobenzothiazole deriv., 2)
Show SMILES COC(=O)c1ccc2nc(N)sc2c1
Show InChI InChI=1S/C9H8N2O2S/c1-13-8(12)5-2-3-6-7(4-5)14-9(10)11-6/h2-4H,1H3,(H2,10,11)
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2.11E+4 -26.5n/an/an/an/an/a6.023



University of Dundee



Assay Description
TbPTR1 activity was measured in 96-well microtiter plates via reduction of cytochrome c (cytc) as a result of the enzymatic production of tetrahydrob...


J Med Chem 52: 4454-65 (2009)


Article DOI: 10.1021/jm900414x
BindingDB Entry DOI: 10.7270/Q28050X3
More data for this
Ligand-Target Pair
Pteridine Reductase 1 (PTR1)


(Trypanosoma brucei brucei)
BDBM31797
PNG
(2-aminobenzimidazole deriv., 8)
Show SMILES Nc1nc2ccccc2n1CCc1ccccc1
Show InChI InChI=1S/C15H15N3/c16-15-17-13-8-4-5-9-14(13)18(15)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H2,16,17)
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2.39E+4 -26.2n/an/an/an/an/a6.023



University of Dundee



Assay Description
TbPTR1 activity was measured in 96-well microtiter plates via reduction of cytochrome c (cytc) as a result of the enzymatic production of tetrahydrob...


J Med Chem 52: 4454-65 (2009)


Article DOI: 10.1021/jm900414x
BindingDB Entry DOI: 10.7270/Q28050X3
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Pteridine Reductase 1 (PTR1)


(Trypanosoma brucei brucei)
BDBM31793
PNG
(2-aminobenzothiazole deriv., 3)
Show SMILES Nc1nc2ccc(cc2s1)C(=O)N1CCCCC1
Show InChI InChI=1S/C13H15N3OS/c14-13-15-10-5-4-9(8-11(10)18-13)12(17)16-6-2-1-3-7-16/h4-5,8H,1-3,6-7H2,(H2,14,15)
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1.41E+5 -21.8n/an/an/an/an/a6.023



University of Dundee



Assay Description
TbPTR1 activity was measured in 96-well microtiter plates via reduction of cytochrome c (cytc) as a result of the enzymatic production of tetrahydrob...


J Med Chem 52: 4454-65 (2009)


Article DOI: 10.1021/jm900414x
BindingDB Entry DOI: 10.7270/Q28050X3
More data for this
Ligand-Target Pair
Pteridine Reductase 1 (PTR1)


(Trypanosoma brucei brucei)
BDBM31796
PNG
(2-aminobenzimidazole deriv., 7)
Show SMILES CCn1c(N)nc2ccccc12
Show InChI InChI=1S/C9H11N3/c1-2-12-8-6-4-3-5-7(8)11-9(12)10/h3-6H,2H2,1H3,(H2,10,11)
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>2.00E+5>-21.0n/an/an/an/an/a6.023



University of Dundee



Assay Description
TbPTR1 activity was measured in 96-well microtiter plates via reduction of cytochrome c (cytc) as a result of the enzymatic production of tetrahydrob...


J Med Chem 52: 4454-65 (2009)


Article DOI: 10.1021/jm900414x
BindingDB Entry DOI: 10.7270/Q28050X3
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Pteridine Reductase 1 (PTR1)


(Trypanosoma brucei brucei)
BDBM7960
PNG
(1H-1,3-benzodiazol-2-amine | 2-Aminobenzimidazole ...)
Show SMILES Nc1nc2ccccc2[nH]1
Show InChI InChI=1S/C7H7N3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H3,8,9,10)
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2.88E+5 -20.1n/an/an/an/an/a6.023



University of Dundee



Assay Description
TbPTR1 activity was measured in 96-well microtiter plates via reduction of cytochrome c (cytc) as a result of the enzymatic production of tetrahydrob...


J Med Chem 52: 4454-65 (2009)


Article DOI: 10.1021/jm900414x
BindingDB Entry DOI: 10.7270/Q28050X3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
N-myristoyltransferase (NMT1)


(Leishmania major)
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 2n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of Leishmania major N-myristoyltransferase using [3H]myristoyl-CoA and GCGGSKVKPQPPQAK(biotin)-amide as substrate preincubated for 5 mins ...


J Med Chem 55: 140-52 (2012)


Article DOI: 10.1021/jm201091t
BindingDB Entry DOI: 10.7270/Q25Q4WK9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(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 3n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human N-myristoyltransferase 1 assessed as transfer of [3H]-myristic acid to a biotinylated substrate peptide (GCGGSKVKPQPPQAK(biotin)-...


J Med Chem 57: 9855-69 (2014)


Article DOI: 10.1021/jm500809c
BindingDB Entry DOI: 10.7270/Q2ZC84G2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peptide N-myristoyltransferase 2


(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 3n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human N-myristoyltransferase 2 assessed as transfer of [3H]-myristic acid to a biotinylated substrate peptide (GCGGSKVKPQPPQAK(biotin)-...


J Med Chem 57: 9855-69 (2014)


Article DOI: 10.1021/jm500809c
BindingDB Entry DOI: 10.7270/Q2ZC84G2
More data for this
Ligand-Target Pair
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(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 3n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human N-myristoyltransferase 1 using [3H]myristoyl-CoA and GCGGSKVKPQPPQAK(biotin)-amide as substrate preincubated for 5 mins prior sub...


J Med Chem 55: 140-52 (2012)


Article DOI: 10.1021/jm201091t
BindingDB Entry DOI: 10.7270/Q25Q4WK9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peptide N-myristoyltransferase


(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)
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(Homo sapiens (Human))
BDBM50033616
PNG
(CHEMBL3358119)
Show SMILES Cc1nn(C)c(C)c1N(C(F)F)S(=O)(=O)c1c(Cl)cc(CCCCC2CCNCC2)cc1Cl
Show InChI InChI=1S/C22H30Cl2F2N4O2S/c1-14-20(15(2)29(3)28-14)30(22(25)26)33(31,32)21-18(23)12-17(13-19(21)24)7-5-4-6-16-8-10-27-11-9-16/h12-13,16,22,27H,4-11H2,1-3H3
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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 N-myristoyltransferase 1 assessed as transfer of [3H]-myristic acid to a biotinylated substrate peptide (GCGGSKVKPQPPQAK(biotin)-...


J Med Chem 57: 9855-69 (2014)


Article DOI: 10.1021/jm500809c
BindingDB Entry DOI: 10.7270/Q2ZC84G2
More data for this
Ligand-Target Pair
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(Homo sapiens (Human))
BDBM50033418
PNG
(CHEMBL3357685)
Show SMILES CC(C)Cc1nn(C)c(C)c1NS(=O)(=O)c1c(Cl)cc(cc1Cl)-c1ccnc(c1)N1CCNCC1
Show InChI InChI=1S/C24H30Cl2N6O2S/c1-15(2)11-21-23(16(3)31(4)29-21)30-35(33,34)24-19(25)12-18(13-20(24)26)17-5-6-28-22(14-17)32-9-7-27-8-10-32/h5-6,12-15,27,30H,7-11H2,1-4H3
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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 N-myristoyltransferase 1 assessed as transfer of [3H]-myristic acid to a biotinylated substrate peptide (GCGGSKVKPQPPQAK(biotin)-...


J Med Chem 57: 9855-69 (2014)


Article DOI: 10.1021/jm500809c
BindingDB Entry DOI: 10.7270/Q2ZC84G2
More data for this
Ligand-Target Pair
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(Homo sapiens (Human))
BDBM50033485
PNG
(CHEMBL3357702)
Show SMILES CN(c1c(C)nn(C)c1C)S(=O)(=O)c1c(Cl)cc(cc1Cl)-c1ccnc(c1)N1CCNCC1
Show InChI InChI=1S/C22H26Cl2N6O2S/c1-14-21(15(2)28(3)27-14)29(4)33(31,32)22-18(23)11-17(12-19(22)24)16-5-6-26-20(13-16)30-9-7-25-8-10-30/h5-6,11-13,25H,7-10H2,1-4H3
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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 N-myristoyltransferase 1 assessed as transfer of [3H]-myristic acid to a biotinylated substrate peptide (GCGGSKVKPQPPQAK(biotin)-...


J Med Chem 57: 9855-69 (2014)


Article DOI: 10.1021/jm500809c
BindingDB Entry DOI: 10.7270/Q2ZC84G2
More data for this
Ligand-Target Pair
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(Homo sapiens (Human))
BDBM50033480
PNG
(CHEMBL3357697)
Show SMILES CN1CCC(CCCCc2cc(Cl)c(c(Cl)c2)S(=O)(=O)Nc2c(C)nn(C)c2C)CC1
Show InChI InChI=1S/C22H32Cl2N4O2S/c1-15-21(16(2)28(4)25-15)26-31(29,30)22-19(23)13-18(14-20(22)24)8-6-5-7-17-9-11-27(3)12-10-17/h13-14,17,26H,5-12H2,1-4H3
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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 N-myristoyltransferase 1 assessed as transfer of [3H]-myristic acid to a biotinylated substrate peptide (GCGGSKVKPQPPQAK(biotin)-...


J Med Chem 57: 9855-69 (2014)


Article DOI: 10.1021/jm500809c
BindingDB Entry DOI: 10.7270/Q2ZC84G2
More data for this
Ligand-Target Pair
Peptide N-myristoyltransferase


(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
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(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 N-myristoyltransferase 1 assessed as transfer of [3H]-myristic acid to a biotinylated substrate peptide (GCGGSKVKPQPPQAK(biotin)-...


J Med Chem 57: 9855-69 (2014)


Article DOI: 10.1021/jm500809c
BindingDB Entry DOI: 10.7270/Q2ZC84G2
More data for this
Ligand-Target Pair
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(Homo sapiens (Human))
BDBM50033482
PNG
(CHEMBL3357699)
Show SMILES Cc1nn(C)c(C)c1NS(=O)(=O)c1c(Cl)cc(CCCCC2CCNCC2)cc1Cl
Show InChI InChI=1S/C21H30Cl2N4O2S/c1-14-20(15(2)27(3)25-14)26-30(28,29)21-18(22)12-17(13-19(21)23)7-5-4-6-16-8-10-24-11-9-16/h12-13,16,24,26H,4-11H2,1-3H3
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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 N-myristoyltransferase 1 assessed as transfer of [3H]-myristic acid to a biotinylated substrate peptide (GCGGSKVKPQPPQAK(biotin)-...


J Med Chem 57: 9855-69 (2014)


Article DOI: 10.1021/jm500809c
BindingDB Entry DOI: 10.7270/Q2ZC84G2
More data for this
Ligand-Target Pair
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(Homo sapiens (Human))
BDBM50033618
PNG
(CHEMBL3358121)
Show SMILES CN1CCC(CC1)OCCCc1cc(Cl)c(c(Cl)c1)S(=O)(=O)N(C(F)F)c1c(C)nn(C)c1C
Show InChI InChI=1S/C22H30Cl2F2N4O3S/c1-14-20(15(2)29(4)27-14)30(22(25)26)34(31,32)21-18(23)12-16(13-19(21)24)6-5-11-33-17-7-9-28(3)10-8-17/h12-13,17,22H,5-11H2,1-4H3
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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 N-myristoyltransferase 1 assessed as transfer of [3H]-myristic acid to a biotinylated substrate peptide (GCGGSKVKPQPPQAK(biotin)-...


J Med Chem 57: 9855-69 (2014)


Article DOI: 10.1021/jm500809c
BindingDB Entry DOI: 10.7270/Q2ZC84G2
More data for this
Ligand-Target Pair
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(Homo sapiens (Human))
BDBM50364135
PNG
(CHEMBL1951295)
Show SMILES CN1CCN(Cc2cccc(c2)-c2cc(Cl)c(c(Cl)c2)S(=O)(=O)Nc2c(C)nn(C)c2C)CC1
Show InChI InChI=1S/C24H29Cl2N5O2S/c1-16-23(17(2)30(4)27-16)28-34(32,33)24-21(25)13-20(14-22(24)26)19-7-5-6-18(12-19)15-31-10-8-29(3)9-11-31/h5-7,12-14,28H,8-11,15H2,1-4H3
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n/an/a 7n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human N-myristoyltransferase 1 using [3H]myristoyl-CoA and GCGGSKVKPQPPQAK(biotin)-amide as substrate preincubated for 5 mins prior sub...


J Med Chem 55: 140-52 (2012)


Article DOI: 10.1021/jm201091t
BindingDB Entry DOI: 10.7270/Q25Q4WK9
More data for this
Ligand-Target Pair
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(Homo sapiens (Human))
BDBM50033619
PNG
(CHEMBL3358122)
Show SMILES CN(C)CCCCCCc1cc(Cl)c(c(Cl)c1)S(=O)(=O)N(C(F)F)c1c(C)nn(C)c1C
Show InChI InChI=1S/C21H30Cl2F2N4O2S/c1-14-19(15(2)28(5)26-14)29(21(24)25)32(30,31)20-17(22)12-16(13-18(20)23)10-8-6-7-9-11-27(3)4/h12-13,21H,6-11H2,1-5H3
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n/an/a 8n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human N-myristoyltransferase 1 assessed as transfer of [3H]-myristic acid to a biotinylated substrate peptide (GCGGSKVKPQPPQAK(biotin)-...


J Med Chem 57: 9855-69 (2014)


Article DOI: 10.1021/jm500809c
BindingDB Entry DOI: 10.7270/Q2ZC84G2
More data for this
Ligand-Target Pair
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(Homo sapiens (Human))
BDBM50033478
PNG
(CHEMBL3357695)
Show SMILES Cc1nn(C)c(C)c1NS(=O)(=O)c1c(Cl)cc(CCCC2CCNCC2)cc1Cl
Show InChI InChI=1S/C20H28Cl2N4O2S/c1-13-19(14(2)26(3)24-13)25-29(27,28)20-17(21)11-16(12-18(20)22)6-4-5-15-7-9-23-10-8-15/h11-12,15,23,25H,4-10H2,1-3H3
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n/an/a 8n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human N-myristoyltransferase 1 assessed as transfer of [3H]-myristic acid to a biotinylated substrate peptide (GCGGSKVKPQPPQAK(biotin)-...


J Med Chem 57: 9855-69 (2014)


Article DOI: 10.1021/jm500809c
BindingDB Entry DOI: 10.7270/Q2ZC84G2
More data for this
Ligand-Target Pair
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(Homo sapiens (Human))
BDBM50033487
PNG
(CHEMBL3357704)
Show SMILES CN1CCN(Cc2cccc(c2)-c2ccc(cc2)S(=O)(=O)Nc2c(C)nn(C)c2C)CC1
Show InChI InChI=1S/C24H31N5O2S/c1-18-24(19(2)28(4)25-18)26-32(30,31)23-10-8-21(9-11-23)22-7-5-6-20(16-22)17-29-14-12-27(3)13-15-29/h5-11,16,26H,12-15,17H2,1-4H3
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n/an/a 9n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human N-myristoyltransferase 1 assessed as transfer of [3H]-myristic acid to a biotinylated substrate peptide (GCGGSKVKPQPPQAK(biotin)-...


J Med Chem 57: 9855-69 (2014)


Article DOI: 10.1021/jm500809c
BindingDB Entry DOI: 10.7270/Q2ZC84G2
More data for this
Ligand-Target Pair
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(Homo sapiens (Human))
BDBM50033614
PNG
(CHEMBL3358117)
Show SMILES Cc1nn(C)c(C)c1N(C(F)F)S(=O)(=O)c1c(Cl)cc(CCCC2CCNCC2)cc1Cl
Show InChI InChI=1S/C21H28Cl2F2N4O2S/c1-13-19(14(2)28(3)27-13)29(21(24)25)32(30,31)20-17(22)11-16(12-18(20)23)6-4-5-15-7-9-26-10-8-15/h11-12,15,21,26H,4-10H2,1-3H3
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n/an/a 9n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human N-myristoyltransferase 1 assessed as transfer of [3H]-myristic acid to a biotinylated substrate peptide (GCGGSKVKPQPPQAK(biotin)-...


J Med Chem 57: 9855-69 (2014)


Article DOI: 10.1021/jm500809c
BindingDB Entry DOI: 10.7270/Q2ZC84G2
More data for this
Ligand-Target Pair
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(Homo sapiens (Human))
BDBM50033414
PNG
(CHEMBL3357681)
Show SMILES Cc1c(NS(=O)(=O)c2c(Cl)cc(cc2Cl)-c2ccnc(c2)N2CCNCC2)cnn1C
Show InChI InChI=1S/C20H22Cl2N6O2S/c1-13-18(12-25-27(13)2)26-31(29,30)20-16(21)9-15(10-17(20)22)14-3-4-24-19(11-14)28-7-5-23-6-8-28/h3-4,9-12,23,26H,5-8H2,1-2H3
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n/an/a 9n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human N-myristoyltransferase 1 assessed as transfer of [3H]-myristic acid to a biotinylated substrate peptide (GCGGSKVKPQPPQAK(biotin)-...


J Med Chem 57: 9855-69 (2014)


Article DOI: 10.1021/jm500809c
BindingDB Entry DOI: 10.7270/Q2ZC84G2
More data for this
Ligand-Target Pair
Peptide N-myristoyltransferase


(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
Peptide N-myristoyltransferase


(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
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(Homo sapiens (Human))
BDBM50033415
PNG
(CHEMBL3357682)
Show SMILES Cc1nn(C)cc1NS(=O)(=O)c1c(Cl)cc(cc1Cl)-c1ccnc(c1)N1CCNCC1
Show InChI InChI=1S/C20H22Cl2N6O2S/c1-13-18(12-27(2)25-13)26-31(29,30)20-16(21)9-15(10-17(20)22)14-3-4-24-19(11-14)28-7-5-23-6-8-28/h3-4,9-12,23,26H,5-8H2,1-2H3
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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 N-myristoyltransferase 1 assessed as transfer of [3H]-myristic acid to a biotinylated substrate peptide (GCGGSKVKPQPPQAK(biotin)-...


J Med Chem 57: 9855-69 (2014)


Article DOI: 10.1021/jm500809c
BindingDB Entry DOI: 10.7270/Q2ZC84G2
More data for this
Ligand-Target Pair
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(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 N-myristoyltransferase 1 assessed as transfer of [3H]-myristic acid to a biotinylated substrate peptide (GCGGSKVKPQPPQAK(biotin)-...


J Med Chem 57: 9855-69 (2014)


Article DOI: 10.1021/jm500809c
BindingDB Entry DOI: 10.7270/Q2ZC84G2
More data for this
Ligand-Target Pair
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(Homo sapiens (Human))
BDBM50033420
PNG
(CHEMBL3357686)
Show SMILES Cc1nn(C)c(C)c1NS(=O)(=O)c1c(Cl)cc(cc1Cl)-c1cccc(c1)N1CCNCC1
Show InChI InChI=1S/C22H25Cl2N5O2S/c1-14-21(15(2)28(3)26-14)27-32(30,31)22-19(23)12-17(13-20(22)24)16-5-4-6-18(11-16)29-9-7-25-8-10-29/h4-6,11-13,25,27H,7-10H2,1-3H3
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n/an/a 17n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human N-myristoyltransferase 1 assessed as transfer of [3H]-myristic acid to a biotinylated substrate peptide (GCGGSKVKPQPPQAK(biotin)-...


J Med Chem 57: 9855-69 (2014)


Article DOI: 10.1021/jm500809c
BindingDB Entry DOI: 10.7270/Q2ZC84G2
More data for this
Ligand-Target Pair
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(Homo sapiens (Human))
BDBM50033488
PNG
(CHEMBL3357705)
Show SMILES CN(c1c(C)nn(C)c1C)S(=O)(=O)c1ccc(cc1)-c1cccc(CN2CCN(C)CC2)c1
Show InChI InChI=1S/C25H33N5O2S/c1-19-25(20(2)28(4)26-19)29(5)33(31,32)24-11-9-22(10-12-24)23-8-6-7-21(17-23)18-30-15-13-27(3)14-16-30/h6-12,17H,13-16,18H2,1-5H3
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n/an/a 17n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human N-myristoyltransferase 1 assessed as transfer of [3H]-myristic acid to a biotinylated substrate peptide (GCGGSKVKPQPPQAK(biotin)-...


J Med Chem 57: 9855-69 (2014)


Article DOI: 10.1021/jm500809c
BindingDB Entry DOI: 10.7270/Q2ZC84G2
More data for this
Ligand-Target Pair
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(Homo sapiens (Human))
BDBM50033582
PNG
(CHEMBL3358111)
Show SMILES CN(c1c(C)nn(C)c1C)S(=O)(=O)c1c(Cl)cc(CCCC2CCN(C)CC2)cc1Cl
Show InChI InChI=1S/C22H32Cl2N4O2S/c1-15-21(16(2)27(4)25-15)28(5)31(29,30)22-19(23)13-18(14-20(22)24)8-6-7-17-9-11-26(3)12-10-17/h13-14,17H,6-12H2,1-5H3
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n/an/a 18n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human N-myristoyltransferase 1 assessed as transfer of [3H]-myristic acid to a biotinylated substrate peptide (GCGGSKVKPQPPQAK(biotin)-...


J Med Chem 57: 9855-69 (2014)


Article DOI: 10.1021/jm500809c
BindingDB Entry DOI: 10.7270/Q2ZC84G2
More data for this
Ligand-Target Pair
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(Homo sapiens (Human))
BDBM50033486
PNG
(CHEMBL3357703)
Show SMILES CN(c1c(C)nn(C)c1C)S(=O)(=O)c1ccc(cc1)-c1ccnc(c1)N1CCNCC1
Show InChI InChI=1S/C22H28N6O2S/c1-16-22(17(2)26(3)25-16)27(4)31(29,30)20-7-5-18(6-8-20)19-9-10-24-21(15-19)28-13-11-23-12-14-28/h5-10,15,23H,11-14H2,1-4H3
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n/an/a 22n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human N-myristoyltransferase 1 assessed as transfer of [3H]-myristic acid to a biotinylated substrate peptide (GCGGSKVKPQPPQAK(biotin)-...


J Med Chem 57: 9855-69 (2014)


Article DOI: 10.1021/jm500809c
BindingDB Entry DOI: 10.7270/Q2ZC84G2
More data for this
Ligand-Target Pair
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(Homo sapiens (Human))
BDBM50033421
PNG
(CHEMBL3357687)
Show SMILES Cc1nn(C)c(C)c1NS(=O)(=O)c1c(Cl)cc(cc1Cl)-c1cccc(c1)C1CCNCC1
Show InChI InChI=1S/C23H26Cl2N4O2S/c1-14-22(15(2)29(3)27-14)28-32(30,31)23-20(24)12-19(13-21(23)25)18-6-4-5-17(11-18)16-7-9-26-10-8-16/h4-6,11-13,16,26,28H,7-10H2,1-3H3
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n/an/a 23n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human N-myristoyltransferase 1 assessed as transfer of [3H]-myristic acid to a biotinylated substrate peptide (GCGGSKVKPQPPQAK(biotin)-...


J Med Chem 57: 9855-69 (2014)


Article DOI: 10.1021/jm500809c
BindingDB Entry DOI: 10.7270/Q2ZC84G2
More data for this
Ligand-Target Pair
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(Homo sapiens (Human))
BDBM50033584
PNG
(CHEMBL3358113)
Show SMILES CCN(c1c(C)nn(C)c1C)S(=O)(=O)c1c(Cl)cc(CCCC2CCN(C)CC2)cc1Cl
Show InChI InChI=1S/C23H34Cl2N4O2S/c1-6-29(22-16(2)26-28(5)17(22)3)32(30,31)23-20(24)14-19(15-21(23)25)9-7-8-18-10-12-27(4)13-11-18/h14-15,18H,6-13H2,1-5H3
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n/an/a 24n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human N-myristoyltransferase 1 assessed as transfer of [3H]-myristic acid to a biotinylated substrate peptide (GCGGSKVKPQPPQAK(biotin)-...


J Med Chem 57: 9855-69 (2014)


Article DOI: 10.1021/jm500809c
BindingDB Entry DOI: 10.7270/Q2ZC84G2
More data for this
Ligand-Target Pair
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(Homo sapiens (Human))
BDBM50033417
PNG
(CHEMBL3357684)
Show SMILES CC(C)Cc1c(NS(=O)(=O)c2c(Cl)cc(cc2Cl)-c2ccnc(c2)N2CCNCC2)c(C)nn1C
Show InChI InChI=1S/C24H30Cl2N6O2S/c1-15(2)11-21-23(16(3)29-31(21)4)30-35(33,34)24-19(25)12-18(13-20(24)26)17-5-6-28-22(14-17)32-9-7-27-8-10-32/h5-6,12-15,27,30H,7-11H2,1-4H3
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n/an/a 25n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human N-myristoyltransferase 1 assessed as transfer of [3H]-myristic acid to a biotinylated substrate peptide (GCGGSKVKPQPPQAK(biotin)-...


J Med Chem 57: 9855-69 (2014)


Article DOI: 10.1021/jm500809c
BindingDB Entry DOI: 10.7270/Q2ZC84G2
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))
BDBM50305679
PNG
((R)-methyl 2-(5-(4-(aminomethyl)phenyl)-2-methylfu...)
Show SMILES COC(=O)[C@@H](Cc1nc2ccccc2[nH]1)NC(=O)c1cc(oc1C)-c1ccc(CN)cc1
Show InChI InChI=1S/C24H24N4O4/c1-14-17(11-21(32-14)16-9-7-15(13-25)8-10-16)23(29)28-20(24(30)31-2)12-22-26-18-5-3-4-6-19(18)27-22/h3-11,20H,12-13,25H2,1-2H3,(H,26,27)(H,28,29)/t20-/m1/s1
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n/an/a 25n/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Inhibition of 8His-tagged Pin1 PPIase domain (45-163)


Bioorg Med Chem Lett 20: 586-90 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.090
BindingDB Entry DOI: 10.7270/Q2QJ7HDW
More data for this
Ligand-Target Pair
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(Homo sapiens (Human))
BDBM50033422
PNG
(CHEMBL3357688)
Show SMILES CN1CCN(CC1)c1cc(ccn1)-c1cc(Cl)c(c(Cl)c1)S(=O)(=O)Nc1c(C)nn(C)c1C
Show InChI InChI=1S/C22H26Cl2N6O2S/c1-14-21(15(2)29(4)26-14)27-33(31,32)22-18(23)11-17(12-19(22)24)16-5-6-25-20(13-16)30-9-7-28(3)8-10-30/h5-6,11-13,27H,7-10H2,1-4H3
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n/an/a 25n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human N-myristoyltransferase 1 assessed as transfer of [3H]-myristic acid to a biotinylated substrate peptide (GCGGSKVKPQPPQAK(biotin)-...


J Med Chem 57: 9855-69 (2014)


Article DOI: 10.1021/jm500809c
BindingDB Entry DOI: 10.7270/Q2ZC84G2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(Homo sapiens (Human))
BDBM50033483
PNG
(CHEMBL3357700)
Show SMILES Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(CCCCC2CCNCC2)cc1
Show InChI InChI=1S/C21H32N4O2S/c1-16-21(17(2)25(3)23-16)24-28(26,27)20-10-8-18(9-11-20)6-4-5-7-19-12-14-22-15-13-19/h8-11,19,22,24H,4-7,12-15H2,1-3H3
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n/an/a 29n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human N-myristoyltransferase 1 assessed as transfer of [3H]-myristic acid to a biotinylated substrate peptide (GCGGSKVKPQPPQAK(biotin)-...


J Med Chem 57: 9855-69 (2014)


Article DOI: 10.1021/jm500809c
BindingDB Entry DOI: 10.7270/Q2ZC84G2
More data for this
Ligand-Target Pair
Peptide N-myristoyltransferase


(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
Peptide N-myristoyltransferase


(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
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(Homo sapiens (Human))
BDBM50033428
PNG
(CHEMBL3357693)
Show SMILES CN1CCC(CCCc2cc(Cl)c(c(Cl)c2)S(=O)(=O)Nc2c(C)nn(C)c2C)CC1
Show InChI InChI=1S/C21H30Cl2N4O2S/c1-14-20(15(2)27(4)24-14)25-30(28,29)21-18(22)12-17(13-19(21)23)7-5-6-16-8-10-26(3)11-9-16/h12-13,16,25H,5-11H2,1-4H3
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n/an/a 33n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human N-myristoyltransferase 1 assessed as transfer of [3H]-myristic acid to a biotinylated substrate peptide (GCGGSKVKPQPPQAK(biotin)-...


J Med Chem 57: 9855-69 (2014)


Article DOI: 10.1021/jm500809c
BindingDB Entry DOI: 10.7270/Q2ZC84G2
More data for this
Ligand-Target Pair
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(Homo sapiens (Human))
BDBM50033481
PNG
(CHEMBL3357698)
Show SMILES CN1CCC(CCCCc2ccc(cc2)S(=O)(=O)Nc2c(C)nn(C)c2C)CC1
Show InChI InChI=1S/C22H34N4O2S/c1-17-22(18(2)26(4)23-17)24-29(27,28)21-11-9-19(10-12-21)7-5-6-8-20-13-15-25(3)16-14-20/h9-12,20,24H,5-8,13-16H2,1-4H3
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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 N-myristoyltransferase 1 assessed as transfer of [3H]-myristic acid to a biotinylated substrate peptide (GCGGSKVKPQPPQAK(biotin)-...


J Med Chem 57: 9855-69 (2014)


Article DOI: 10.1021/jm500809c
BindingDB Entry DOI: 10.7270/Q2ZC84G2
More data for this
Ligand-Target Pair
Peptide N-myristoyltransferase


(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
Peptide N-myristoyltransferase


(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
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