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Compile Data Set for Download or QSAR

Found 80 hits with Last Name = 'aoyama' and Initial = 't'   
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
Peptide N-myristoyltransferase


(Homo sapiens (Human))
BDBM50121716
PNG
((3-methyl-4-(3-(pyridin-3-ylmethylamino)propoxy)be...)
Show SMILES Cc1c(oc2cccc(OCCCNCc3cccnc3)c12)C(=O)c1ccc(C)cn1
Show InChI InChI=1S/C25H25N3O3/c1-17-9-10-20(28-14-17)24(29)25-18(2)23-21(7-3-8-22(23)31-25)30-13-5-12-27-16-19-6-4-11-26-15-19/h3-4,6-11,14-15,27H,5,12-13,16H2,1-2H3
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n/an/a 0.390n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against candida albicans Nmt (CaNmt) using substrate peptide GLTISKLFR-R-NH2 (0.5 uM) and myristoyl-CoA (0.5 uM)


Bioorg Med Chem Lett 13: 87-91 (2003)


Article DOI: 10.1016/s0960-894x(02)00844-2
BindingDB Entry DOI: 10.7270/Q25D8V2K
More data for this
Ligand-Target Pair
Peptide N-myristoyltransferase


(Homo sapiens (Human))
BDBM50220561
PNG
(CHEMBL173370)
Show SMILES Cc1c(oc2cccc(OCCCNCc3cccnc3)c12)C(=O)c1nc2ccccc2n1C
Show InChI InChI=1S/C27H26N4O3/c1-18-24-22(33-15-7-14-29-17-19-8-6-13-28-16-19)11-5-12-23(24)34-26(18)25(32)27-30-20-9-3-4-10-21(20)31(27)2/h3-6,8-13,16,29H,7,14-15,17H2,1-2H3
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n/an/a 0.400n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Candida albicans Nmt (CaNmt) using substrate peptide GLTISKLFR-R-NH2 (0.5 uM) and myristoyl-CoA (0.5 uM)


Bioorg Med Chem Lett 13: 87-91 (2003)


Article DOI: 10.1016/s0960-894x(02)00844-2
BindingDB Entry DOI: 10.7270/Q25D8V2K
More data for this
Ligand-Target Pair
Peptide N-myristoyltransferase


(Homo sapiens (Human))
BDBM50220562
PNG
(CHEMBL171506)
Show SMILES Cc1c(oc2cccc(OCCCNCc3cccnc3)c12)C(=O)c1nc2ccccc2n1CC=C
Show InChI InChI=1S/C29H28N4O3/c1-3-16-33-23-11-5-4-10-22(23)32-29(33)27(34)28-20(2)26-24(12-6-13-25(26)36-28)35-17-8-15-31-19-21-9-7-14-30-18-21/h3-7,9-14,18,31H,1,8,15-17,19H2,2H3
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n/an/a 0.580n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Candida albicans Nmt (CaNmt) using substrate peptide GLTISKLFR-R-NH2 (0.5 uM) and myristoyl-CoA (0.5 uM)


Bioorg Med Chem Lett 13: 87-91 (2003)


Article DOI: 10.1016/s0960-894x(02)00844-2
BindingDB Entry DOI: 10.7270/Q25D8V2K
More data for this
Ligand-Target Pair
Peptide N-myristoyltransferase


(Homo sapiens (Human))
BDBM50220565
PNG
(CHEMBL170524)
Show SMILES Cc1nc(sc1C)C(=O)c1oc2cccc(OCCCNCc3cccnc3)c2c1C
Show InChI InChI=1S/C24H25N3O3S/c1-15-21-19(29-12-6-11-26-14-18-7-5-10-25-13-18)8-4-9-20(21)30-23(15)22(28)24-27-16(2)17(3)31-24/h4-5,7-10,13,26H,6,11-12,14H2,1-3H3
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n/an/a 0.710n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Candida albicans Nmt (CaNmt) using substrate peptide GLTISKLFR-R-NH2 (0.5 uM) and myristoyl-CoA (0.5 uM)


Bioorg Med Chem Lett 13: 87-91 (2003)


Article DOI: 10.1016/s0960-894x(02)00844-2
BindingDB Entry DOI: 10.7270/Q25D8V2K
More data for this
Ligand-Target Pair
Peptide N-myristoyltransferase


(Homo sapiens (Human))
BDBM50121720
PNG
((1-METHYL-1H-IMIDAZOL-2-YL)-(3-METHYL-4-{3-[(PYRID...)
Show SMILES Cc1c(oc2cccc(OCCCNCc3cccnc3)c12)C(=O)c1nccn1C
Show InChI InChI=1S/C23H24N4O3/c1-16-20-18(29-13-5-10-25-15-17-6-4-9-24-14-17)7-3-8-19(20)30-22(16)21(28)23-26-11-12-27(23)2/h3-4,6-9,11-12,14,25H,5,10,13,15H2,1-2H3
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n/an/a 1.30n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Candida albicans Nmt (CaNmt) using substrate peptide GLTISKLFR-R-NH2 (0.5 uM) and myristoyl-CoA (0.5 uM)


Bioorg Med Chem Lett 13: 87-91 (2003)


Article DOI: 10.1016/s0960-894x(02)00844-2
BindingDB Entry DOI: 10.7270/Q25D8V2K
More data for this
Ligand-Target Pair
Peptide N-myristoyltransferase


(Homo sapiens (Human))
BDBM50220569
PNG
(CHEMBL422896)
Show SMILES CC(C)n1c(nc2ccccc12)C(=O)c1oc2cccc(OCCCNCc3cccnc3)c2c1C
Show InChI InChI=1S/C29H30N4O3/c1-19(2)33-23-11-5-4-10-22(23)32-29(33)27(34)28-20(3)26-24(12-6-13-25(26)36-28)35-16-8-15-31-18-21-9-7-14-30-17-21/h4-7,9-14,17,19,31H,8,15-16,18H2,1-3H3
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n/an/a 1.30n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Candida albicans Nmt (CaNmt) using substrate peptide GLTISKLFR-R-NH2 (0.5 uM) and myristoyl-CoA (0.5 uM)


Bioorg Med Chem Lett 13: 87-91 (2003)


Article DOI: 10.1016/s0960-894x(02)00844-2
BindingDB Entry DOI: 10.7270/Q25D8V2K
More data for this
Ligand-Target Pair
Peptide N-myristoyltransferase


(Homo sapiens (Human))
BDBM50220559
PNG
(CHEMBL422746)
Show SMILES Cc1csc(n1)C(=O)c1oc2cccc(OCCCNCc3cccnc3)c2c1C
Show InChI InChI=1S/C23H23N3O3S/c1-15-14-30-23(26-15)21(27)22-16(2)20-18(7-3-8-19(20)29-22)28-11-5-10-25-13-17-6-4-9-24-12-17/h3-4,6-9,12,14,25H,5,10-11,13H2,1-2H3
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n/an/a 2n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Candida albicans Nmt (CaNmt) using substrate peptide GLTISKLFR-R-NH2 (0.5 uM) and myristoyl-CoA (0.5 uM)


Bioorg Med Chem Lett 13: 87-91 (2003)


Article DOI: 10.1016/s0960-894x(02)00844-2
BindingDB Entry DOI: 10.7270/Q25D8V2K
More data for this
Ligand-Target Pair
Peptide N-myristoyltransferase


(Homo sapiens (Human))
BDBM50220571
PNG
(CHEMBL355250)
Show SMILES Cc1c(oc2cccc(OCCCNCc3cccnc3)c12)C(=O)c1ccccn1
Show InChI InChI=1S/C24H23N3O3/c1-17-22-20(29-14-6-12-26-16-18-7-5-11-25-15-18)9-4-10-21(22)30-24(17)23(28)19-8-2-3-13-27-19/h2-5,7-11,13,15,26H,6,12,14,16H2,1H3
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n/an/a 3.5n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Candida albicans Nmt (CaNmt) using substrate peptide GLTISKLFR-R-NH2 (0.5 uM) and myristoyl-CoA (0.5 uM)


Bioorg Med Chem Lett 13: 87-91 (2003)


Article DOI: 10.1016/s0960-894x(02)00844-2
BindingDB Entry DOI: 10.7270/Q25D8V2K
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)/farnesyltransferase beta subunit


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50062250
PNG
(CHEMBL36407 | trisodium 5-[2-benzo[d][1,3]dioxol-5...)
Show SMILES C[C@@H]([C@H](C\C=C\c1nc2ccccc2o1)c1ccc2OCOc2c1)N(Cc1ccc2ccccc2c1)C(=O)[C@H]1OC(O[C@H]1C([O-])=O)(C([O-])=O)C([O-])=O
Show InChI InChI=1S/C38H32N2O12/c1-21(26(25-15-16-29-30(18-25)49-20-48-29)9-6-12-31-39-27-10-4-5-11-28(27)50-31)40(19-22-13-14-23-7-2-3-8-24(23)17-22)34(41)32-33(35(42)43)52-38(51-32,36(44)45)37(46)47/h2-8,10-18,21,26,32-33H,9,19-20H2,1H3,(H,42,43)(H,44,45)(H,46,47)/p-3/b12-6+/t21-,26-,32-,33+/m0/s1
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n/an/a 3.90n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Farnesyltransferase from rat brain


J Med Chem 41: 143-7 (1998)


Article DOI: 10.1021/jm970540f
BindingDB Entry DOI: 10.7270/Q23B5Z82
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)/farnesyltransferase beta subunit


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50062251
PNG
(CHEMBL285263 | trisodium 5-[2-benzo[d][1,3]dioxol-...)
Show SMILES C[C@@H]([C@H](C\C=C\c1nc2ccccc2o1)c1ccc2OCOc2c1)N(Cc1ccc2ccccc2c1)C(=O)[C@@H]1OC(O[C@H]1C([O-])=O)(C([O-])=O)C([O-])=O
Show InChI InChI=1S/C38H32N2O12/c1-21(26(25-15-16-29-30(18-25)49-20-48-29)9-6-12-31-39-27-10-4-5-11-28(27)50-31)40(19-22-13-14-23-7-2-3-8-24(23)17-22)34(41)32-33(35(42)43)52-38(51-32,36(44)45)37(46)47/h2-8,10-18,21,26,32-33H,9,19-20H2,1H3,(H,42,43)(H,44,45)(H,46,47)/p-3/b12-6+/t21-,26-,32+,33+/m0/s1
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n/an/a 3.90n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Farnesyltransferase from rat brain


J Med Chem 41: 143-7 (1998)


Article DOI: 10.1021/jm970540f
BindingDB Entry DOI: 10.7270/Q23B5Z82
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)/farnesyltransferase beta subunit


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50062249
PNG
(CHEMBL285434 | trisodium 5-[2-benzo[d][1,3]dioxol-...)
Show SMILES C[C@@H]([C@H](C\C=C\c1nc2ccccc2o1)c1ccc2OCOc2c1)N(Cc1ccc2ccccc2c1)C(=O)[C@@H]1OC(O[C@@H]1C([O-])=O)(C([O-])=O)C([O-])=O
Show InChI InChI=1S/C38H32N2O12/c1-21(26(25-15-16-29-30(18-25)49-20-48-29)9-6-12-31-39-27-10-4-5-11-28(27)50-31)40(19-22-13-14-23-7-2-3-8-24(23)17-22)34(41)32-33(35(42)43)52-38(51-32,36(44)45)37(46)47/h2-8,10-18,21,26,32-33H,9,19-20H2,1H3,(H,42,43)(H,44,45)(H,46,47)/p-3/b12-6+/t21-,26-,32+,33-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Farnesyltransferase from rat brain


J Med Chem 41: 143-7 (1998)


Article DOI: 10.1021/jm970540f
BindingDB Entry DOI: 10.7270/Q23B5Z82
More data for this
Ligand-Target Pair
Peptide N-myristoyltransferase


(Homo sapiens (Human))
BDBM50109882
PNG
(3-(3-methyl-2-((2,3,4-trifluorophenoxy)methyl)benz...)
Show SMILES Cc1c(COc2ccc(F)c(F)c2F)oc2cccc(OCCCNCc3cccnc3)c12
Show InChI InChI=1S/C25H23F3N2O3/c1-16-22(15-32-21-9-8-18(26)24(27)25(21)28)33-20-7-2-6-19(23(16)20)31-12-4-11-30-14-17-5-3-10-29-13-17/h2-3,5-10,13,30H,4,11-12,14-15H2,1H3
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n/an/a 5.60n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity against Candida albicans Nmt (CaNmt)


Bioorg Med Chem Lett 13: 87-91 (2003)


Article DOI: 10.1016/s0960-894x(02)00844-2
BindingDB Entry DOI: 10.7270/Q25D8V2K
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)/farnesyltransferase beta subunit


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50062249
PNG
(CHEMBL285434 | trisodium 5-[2-benzo[d][1,3]dioxol-...)
Show SMILES C[C@@H]([C@H](C\C=C\c1nc2ccccc2o1)c1ccc2OCOc2c1)N(Cc1ccc2ccccc2c1)C(=O)[C@@H]1OC(O[C@@H]1C([O-])=O)(C([O-])=O)C([O-])=O
Show InChI InChI=1S/C38H32N2O12/c1-21(26(25-15-16-29-30(18-25)49-20-48-29)9-6-12-31-39-27-10-4-5-11-28(27)50-31)40(19-22-13-14-23-7-2-3-8-24(23)17-22)34(41)32-33(35(42)43)52-38(51-32,36(44)45)37(46)47/h2-8,10-18,21,26,32-33H,9,19-20H2,1H3,(H,42,43)(H,44,45)(H,46,47)/p-3/b12-6+/t21-,26-,32+,33-/m0/s1
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n/an/a 5.60n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Farnesyltransferase in competitive manner with respect to FPP (farnesyl diphosphate) at 0.6 microM FPP and 0.36 microM Ras peptide


J Med Chem 41: 143-7 (1998)


Article DOI: 10.1021/jm970540f
BindingDB Entry DOI: 10.7270/Q23B5Z82
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)/farnesyltransferase beta subunit


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50062252
PNG
(CHEMBL36339 | trisodium 5-[2-benzo[d][1,3]dioxol-5...)
Show SMILES C[C@H]([C@@H](C\C=C\c1nc2ccccc2o1)c1ccc2OCOc2c1)N(Cc1ccc2ccccc2c1)C(=O)[C@@H]1OC(O[C@@H]1C([O-])=O)(C([O-])=O)C([O-])=O
Show InChI InChI=1S/C38H32N2O12/c1-21(26(25-15-16-29-30(18-25)49-20-48-29)9-6-12-31-39-27-10-4-5-11-28(27)50-31)40(19-22-13-14-23-7-2-3-8-24(23)17-22)34(41)32-33(35(42)43)52-38(51-32,36(44)45)37(46)47/h2-8,10-18,21,26,32-33H,9,19-20H2,1H3,(H,42,43)(H,44,45)(H,46,47)/p-3/b12-6+/t21-,26-,32-,33+/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Farnesyltransferase from rat brain


J Med Chem 41: 143-7 (1998)


Article DOI: 10.1021/jm970540f
BindingDB Entry DOI: 10.7270/Q23B5Z82
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)/farnesyltransferase beta subunit


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50062248
PNG
(CHEMBL36515 | trisodium 5-[2-benzo[d][1,3]dioxol-5...)
Show SMILES C[C@@H]([C@H](C\C=C\c1nc2ccccc2o1)c1ccc2OCOc2c1)N(Cc1ccc2ccccc2c1)C(=O)[C@H]1OC(O[C@@H]1C([O-])=O)(C([O-])=O)C([O-])=O
Show InChI InChI=1S/C38H32N2O12/c1-21(26(25-15-16-29-30(18-25)49-20-48-29)9-6-12-31-39-27-10-4-5-11-28(27)50-31)40(19-22-13-14-23-7-2-3-8-24(23)17-22)34(41)32-33(35(42)43)52-38(51-32,36(44)45)37(46)47/h2-8,10-18,21,26,32-33H,9,19-20H2,1H3,(H,42,43)(H,44,45)(H,46,47)/p-3/b12-6+/t21-,26-,32-,33-/m0/s1
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n/an/a 7.20n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Farnesyltransferase from rat brain


J Med Chem 41: 143-7 (1998)


Article DOI: 10.1021/jm970540f
BindingDB Entry DOI: 10.7270/Q23B5Z82
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)/farnesyltransferase beta subunit


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50062249
PNG
(CHEMBL285434 | trisodium 5-[2-benzo[d][1,3]dioxol-...)
Show SMILES C[C@@H]([C@H](C\C=C\c1nc2ccccc2o1)c1ccc2OCOc2c1)N(Cc1ccc2ccccc2c1)C(=O)[C@@H]1OC(O[C@@H]1C([O-])=O)(C([O-])=O)C([O-])=O
Show InChI InChI=1S/C38H32N2O12/c1-21(26(25-15-16-29-30(18-25)49-20-48-29)9-6-12-31-39-27-10-4-5-11-28(27)50-31)40(19-22-13-14-23-7-2-3-8-24(23)17-22)34(41)32-33(35(42)43)52-38(51-32,36(44)45)37(46)47/h2-8,10-18,21,26,32-33H,9,19-20H2,1H3,(H,42,43)(H,44,45)(H,46,47)/p-3/b12-6+/t21-,26-,32+,33-/m0/s1
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n/an/a 7.20n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Farnesyltransferase in competitive manner with respect to FPP (farnesyl diphosphate) at 0.6 microM FPP and 3.6 microM Ras peptide.


J Med Chem 41: 143-7 (1998)


Article DOI: 10.1021/jm970540f
BindingDB Entry DOI: 10.7270/Q23B5Z82
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)/farnesyltransferase beta subunit


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50062256
PNG
(CHEMBL284073 | trisodium 5-[2-benzo[d][1,3]dioxol-...)
Show SMILES C[C@H]([C@@H](C\C=C\c1nc2ccccc2o1)c1ccc2OCOc2c1)N(Cc1ccc2ccccc2c1)C(=O)[C@H]1OC(O[C@H]1C([O-])=O)(C([O-])=O)C([O-])=O
Show InChI InChI=1S/C38H32N2O12/c1-21(26(25-15-16-29-30(18-25)49-20-48-29)9-6-12-31-39-27-10-4-5-11-28(27)50-31)40(19-22-13-14-23-7-2-3-8-24(23)17-22)34(41)32-33(35(42)43)52-38(51-32,36(44)45)37(46)47/h2-8,10-18,21,26,32-33H,9,19-20H2,1H3,(H,42,43)(H,44,45)(H,46,47)/p-3/b12-6+/t21-,26-,32+,33-/m1/s1
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n/an/a 8n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Farnesyltransferase from rat brain


J Med Chem 41: 143-7 (1998)


Article DOI: 10.1021/jm970540f
BindingDB Entry DOI: 10.7270/Q23B5Z82
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)/farnesyltransferase beta subunit


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50062258
PNG
(2-{[((E)-2-Benzo[1,3]dioxol-5-yl-5-benzooxazol-2-y...)
Show SMILES CC(C(C\C=C\c1nc2ccccc2o1)c1ccc2OCOc2c1)N(Cc1ccc2ccccc2c1)C(=O)CC(CC(O)=O)C(O)=O
Show InChI InChI=1S/C37H34N2O8/c1-23(39(35(40)19-28(37(43)44)20-36(41)42)21-24-13-14-25-7-2-3-8-26(25)17-24)29(27-15-16-32-33(18-27)46-22-45-32)9-6-12-34-38-30-10-4-5-11-31(30)47-34/h2-8,10-18,23,28-29H,9,19-22H2,1H3,(H,41,42)(H,43,44)/b12-6+
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n/an/a 23n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Farnesyltransferase from rat brain


J Med Chem 41: 143-7 (1998)


Article DOI: 10.1021/jm970540f
BindingDB Entry DOI: 10.7270/Q23B5Z82
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)/farnesyltransferase beta subunit


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50062257
PNG
(2-({[(E)-5-Benzooxazol-2-yl-2-(4-chloro-phenyl)-1-...)
Show SMILES CC(C(C\C=C\c1nc2ccccc2o1)c1ccc(Cl)cc1)N(Cc1ccc2ccccc2c1)C(=O)CC(CC(O)=O)C(O)=O
Show InChI InChI=1S/C36H33ClN2O6/c1-23(30(26-15-17-29(37)18-16-26)9-6-12-33-38-31-10-4-5-11-32(31)45-33)39(34(40)20-28(36(43)44)21-35(41)42)22-24-13-14-25-7-2-3-8-27(25)19-24/h2-8,10-19,23,28,30H,9,20-22H2,1H3,(H,41,42)(H,43,44)/b12-6+
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n/an/a 28n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Farnesyltransferase from rat brain


J Med Chem 41: 143-7 (1998)


Article DOI: 10.1021/jm970540f
BindingDB Entry DOI: 10.7270/Q23B5Z82
More data for this
Ligand-Target Pair
Peptide N-myristoyltransferase


(Homo sapiens (Human))
BDBM50220564
PNG
(CHEMBL353541)
Show SMILES Cc1c(oc2cccc(OCCCNCc3cccnc3)c12)C(=O)c1ncccc1C(F)(F)F
Show InChI InChI=1S/C25H22F3N3O3/c1-16-21-19(33-13-5-11-30-15-17-6-3-10-29-14-17)8-2-9-20(21)34-24(16)23(32)22-18(25(26,27)28)7-4-12-31-22/h2-4,6-10,12,14,30H,5,11,13,15H2,1H3
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n/an/a 43n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Candida albicans Nmt (CaNmt) using substrate peptide GLTISKLFR-R-NH2 (0.5 uM) and myristoyl-CoA (0.5 uM)


Bioorg Med Chem Lett 13: 87-91 (2003)


Article DOI: 10.1016/s0960-894x(02)00844-2
BindingDB Entry DOI: 10.7270/Q25D8V2K
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)/farnesyltransferase beta subunit


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50062249
PNG
(CHEMBL285434 | trisodium 5-[2-benzo[d][1,3]dioxol-...)
Show SMILES C[C@@H]([C@H](C\C=C\c1nc2ccccc2o1)c1ccc2OCOc2c1)N(Cc1ccc2ccccc2c1)C(=O)[C@@H]1OC(O[C@@H]1C([O-])=O)(C([O-])=O)C([O-])=O
Show InChI InChI=1S/C38H32N2O12/c1-21(26(25-15-16-29-30(18-25)49-20-48-29)9-6-12-31-39-27-10-4-5-11-28(27)50-31)40(19-22-13-14-23-7-2-3-8-24(23)17-22)34(41)32-33(35(42)43)52-38(51-32,36(44)45)37(46)47/h2-8,10-18,21,26,32-33H,9,19-20H2,1H3,(H,42,43)(H,44,45)(H,46,47)/p-3/b12-6+/t21-,26-,32+,33-/m0/s1
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n/an/a 45n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of FTase in competitive manner with respect to FPP (farnesyl diphosphate) at 6.0 microM FPP and 0.36 microM Ras peptide.


J Med Chem 41: 143-7 (1998)


Article DOI: 10.1021/jm970540f
BindingDB Entry DOI: 10.7270/Q23B5Z82
More data for this
Ligand-Target Pair
Peptide N-myristoyltransferase


(Homo sapiens (Human))
BDBM50220566
PNG
(CHEMBL172471)
Show SMILES Cc1c(oc2cccc(OCCCNCc3cccnc3)c12)C(O)c1ccccn1
Show InChI InChI=1S/C24H25N3O3/c1-17-22-20(29-14-6-12-26-16-18-7-5-11-25-15-18)9-4-10-21(22)30-24(17)23(28)19-8-2-3-13-27-19/h2-5,7-11,13,15,23,26,28H,6,12,14,16H2,1H3
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n/an/a 47n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity against Candida albicans Nmt (CaNmt) using substrate peptide GLTISKLFR-R-NH2 (0.5 uM) and myristoyl-CoA (0.5 uM)


Bioorg Med Chem Lett 13: 87-91 (2003)


Article DOI: 10.1016/s0960-894x(02)00844-2
BindingDB Entry DOI: 10.7270/Q25D8V2K
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)/farnesyltransferase beta subunit


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50062253
PNG
(2-({[(E)-2-(4-Chloro-phenyl)-1-methyl-5-naphthalen...)
Show SMILES CC(C(C\C=C\c1ccc2ccccc2c1)c1ccc(Cl)cc1)N(Cc1ccc2ccccc2c1)C(=O)CC(CC(O)=O)C(O)=O
Show InChI InChI=1S/C39H36ClNO5/c1-26(36(31-17-19-35(40)20-18-31)12-6-7-27-13-15-29-8-2-4-10-32(29)21-27)41(37(42)23-34(39(45)46)24-38(43)44)25-28-14-16-30-9-3-5-11-33(30)22-28/h2-11,13-22,26,34,36H,12,23-25H2,1H3,(H,43,44)(H,45,46)/b7-6+
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n/an/a 51n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Farnesyltransferase from rat brain


J Med Chem 41: 143-7 (1998)


Article DOI: 10.1021/jm970540f
BindingDB Entry DOI: 10.7270/Q23B5Z82
More data for this
Ligand-Target Pair
Peptide N-myristoyltransferase


(Homo sapiens (Human))
BDBM50220563
PNG
(CHEMBL353249)
Show SMILES Cc1c(oc2cccc(OCCCNCc3cccnc3)c12)C(=O)c1cccnc1
Show InChI InChI=1S/C24H23N3O3/c1-17-22-20(29-13-5-12-26-15-18-6-3-10-25-14-18)8-2-9-21(22)30-24(17)23(28)19-7-4-11-27-16-19/h2-4,6-11,14,16,26H,5,12-13,15H2,1H3
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n/an/a 62n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity against Candida albicans Nmt (CaNmt) using substrate peptide GLTISKLFR-R-NH2 (0.5 uM) and myristoyl-CoA (0.5 uM)


Bioorg Med Chem Lett 13: 87-91 (2003)


Article DOI: 10.1016/s0960-894x(02)00844-2
BindingDB Entry DOI: 10.7270/Q25D8V2K
More data for this
Ligand-Target Pair
Peptide N-myristoyltransferase


(Homo sapiens (Human))
BDBM50220560
PNG
(CHEMBL173962)
Show SMILES Cc1c(oc2cccc(OCCCNCc3cccnc3)c12)C(=O)c1nccs1
Show InChI InChI=1S/C22H21N3O3S/c1-15-19-17(27-11-4-9-24-14-16-5-3-8-23-13-16)6-2-7-18(19)28-21(15)20(26)22-25-10-12-29-22/h2-3,5-8,10,12-13,24H,4,9,11,14H2,1H3
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n/an/a 91n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Candida albicans Nmt (CaNmt) using substrate peptide GLTISKLFR-R-NH2 (0.5 uM) and myristoyl-CoA (0.5 uM)


Bioorg Med Chem Lett 13: 87-91 (2003)


Article DOI: 10.1016/s0960-894x(02)00844-2
BindingDB Entry DOI: 10.7270/Q25D8V2K
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM6655
PNG
(3-(9-oxo-9H-fluoren-4-yl)-1-pyridin-2-ylurea | Dia...)
Show SMILES O=C(Nc1ccccn1)Nc1cccc2C(=O)c3ccccc3-c12
Show InChI InChI=1S/C19H13N3O2/c23-18-13-7-2-1-6-12(13)17-14(18)8-5-9-15(17)21-19(24)22-16-10-3-4-11-20-16/h1-11H,(H2,20,21,22,24)
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n/an/a 100n/an/an/an/an/a30



Banyu Tsukuba Research Institute



Assay Description
In vitro kinase assays using synthetic peptides and purified enzymes were incubated at 30°C for 45 min in buffer that contained 50 uM ATP, and d...


J Med Chem 44: 4615-27 (2001)


Article DOI: 10.1021/jm0103256
BindingDB Entry DOI: 10.7270/Q2736P3Q
More data for this
Ligand-Target Pair
Peptide N-myristoyltransferase


(Homo sapiens (Human))
BDBM50220569
PNG
(CHEMBL422896)
Show SMILES CC(C)n1c(nc2ccccc12)C(=O)c1oc2cccc(OCCCNCc3cccnc3)c2c1C
Show InChI InChI=1S/C29H30N4O3/c1-19(2)33-23-11-5-4-10-22(23)32-29(33)27(34)28-20(3)26-24(12-6-13-25(26)36-28)35-16-8-15-31-18-21-9-7-14-30-17-21/h4-7,9-14,17,19,31H,8,15-16,18H2,1-3H3
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n/an/a 480n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Aspergillus fumigatus Nmt (AfNmt) using substrate peptide GLTISKLFR-R-NH2 (0.5 uM) and myristoyl-CoA (0.5 uM)


Bioorg Med Chem Lett 13: 87-91 (2003)


Article DOI: 10.1016/s0960-894x(02)00844-2
BindingDB Entry DOI: 10.7270/Q25D8V2K
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM6656
PNG
(3-1H-indazol-6-yl-1-pyridin-2-ylurea | Diarylurea ...)
Show SMILES O=C(Nc1ccc2cn[nH]c2c1)Nc1ccccn1
Show InChI InChI=1S/C13H11N5O/c19-13(17-12-3-1-2-6-14-12)16-10-5-4-9-8-15-18-11(9)7-10/h1-8H,(H,15,18)(H2,14,16,17,19)
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n/an/a 670n/an/an/an/an/a30



Banyu Tsukuba Research Institute



Assay Description
In vitro kinase assays using synthetic peptides and purified enzymes were incubated at 30°C for 45 min in buffer that contained 50 uM ATP, and d...


J Med Chem 44: 4615-27 (2001)


Article DOI: 10.1021/jm0103256
BindingDB Entry DOI: 10.7270/Q2736P3Q
More data for this
Ligand-Target Pair
Peptide N-myristoyltransferase


(Homo sapiens (Human))
BDBM50220570
PNG
(CHEMBL172455)
Show SMILES Cc1c(oc2cccc(OCCCNCc3cccnc3)c12)C(=O)c1ccccc1
Show InChI InChI=1S/C25H24N2O3/c1-18-23-21(29-15-7-14-27-17-19-8-6-13-26-16-19)11-5-12-22(23)30-25(18)24(28)20-9-3-2-4-10-20/h2-6,8-13,16,27H,7,14-15,17H2,1H3
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n/an/a 1.20E+3n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity against Candida albicans Nmt (CaNmt) using substrate peptide GLTISKLFR-R-NH2 (0.5 uM) and myristoyl-CoA (0.5 uM)


Bioorg Med Chem Lett 13: 87-91 (2003)


Article DOI: 10.1016/s0960-894x(02)00844-2
BindingDB Entry DOI: 10.7270/Q25D8V2K
More data for this
Ligand-Target Pair
Peptide N-myristoyltransferase


(Homo sapiens (Human))
BDBM50220568
PNG
(CHEMBL368134)
Show SMILES Cc1c(oc2cccc(OCCCNCc3cccnc3)c12)C(=O)c1ccco1
Show InChI InChI=1S/C23H22N2O4/c1-16-21-18(27-13-5-11-25-15-17-6-3-10-24-14-17)7-2-8-19(21)29-23(16)22(26)20-9-4-12-28-20/h2-4,6-10,12,14,25H,5,11,13,15H2,1H3
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n/an/a 1.40E+3n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Candida albicans Nmt (CaNmt) using substrate peptide GLTISKLFR-R-NH2 (0.5 uM) and myristoyl-CoA (0.5 uM)


Bioorg Med Chem Lett 13: 87-91 (2003)


Article DOI: 10.1016/s0960-894x(02)00844-2
BindingDB Entry DOI: 10.7270/Q25D8V2K
More data for this
Ligand-Target Pair
Peptide N-myristoyltransferase


(Homo sapiens (Human))
BDBM50220567
PNG
(CHEMBL355170)
Show SMILES Cc1c(Cc2ccccn2)oc2cccc(OCCCNCc3cccnc3)c12
Show InChI InChI=1S/C24H25N3O2/c1-18-23(15-20-8-2-3-13-27-20)29-22-10-4-9-21(24(18)22)28-14-6-12-26-17-19-7-5-11-25-16-19/h2-5,7-11,13,16,26H,6,12,14-15,17H2,1H3
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n/an/a 1.90E+3n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity against Candida albicans Nmt (CaNmt) using substrate peptide GLTISKLFR-R-NH2 (0.5 uM) and myristoyl-CoA (0.5 uM)


Bioorg Med Chem Lett 13: 87-91 (2003)


Article DOI: 10.1016/s0960-894x(02)00844-2
BindingDB Entry DOI: 10.7270/Q25D8V2K
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM6657
PNG
(3-pyridin-2-yl-1-quinolin-5-ylurea | Diarylurea de...)
Show SMILES O=C(Nc1ccccn1)Nc1cccc2ncccc12
Show InChI InChI=1S/C15H12N4O/c20-15(19-14-8-1-2-9-17-14)18-13-7-3-6-12-11(13)5-4-10-16-12/h1-10H,(H2,17,18,19,20)
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n/an/a 2.40E+3n/an/an/an/an/a30



Banyu Tsukuba Research Institute



Assay Description
In vitro kinase assays using synthetic peptides and purified enzymes were incubated at 30°C for 45 min in buffer that contained 50 uM ATP, and d...


J Med Chem 44: 4615-27 (2001)


Article DOI: 10.1021/jm0103256
BindingDB Entry DOI: 10.7270/Q2736P3Q
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)/farnesyltransferase beta subunit


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50062255
PNG
(2-({[2,3-Bis-(4-chloro-phenyl)-1-methyl-propyl]-na...)
Show SMILES CC(C(Cc1ccc(Cl)cc1)c1ccc(Cl)cc1)N(Cc1ccc2ccccc2c1)C(=O)CC(CC(O)=O)C(O)=O
Show InChI InChI=1S/C33H31Cl2NO5/c1-21(30(25-10-14-29(35)15-11-25)17-22-7-12-28(34)13-8-22)36(31(37)18-27(33(40)41)19-32(38)39)20-23-6-9-24-4-2-3-5-26(24)16-23/h2-16,21,27,30H,17-20H2,1H3,(H,38,39)(H,40,41)
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n/an/a 3.40E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Farnesyltransferase from rat brain


J Med Chem 41: 143-7 (1998)


Article DOI: 10.1021/jm970540f
BindingDB Entry DOI: 10.7270/Q23B5Z82
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM6658
PNG
(3-(1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl)-1-pyrid...)
Show SMILES O=C(Nc1ccccn1)Nc1cccc2C(=O)NC(=O)c12
Show InChI InChI=1S/C14H10N4O3/c19-12-8-4-3-5-9(11(8)13(20)18-12)16-14(21)17-10-6-1-2-7-15-10/h1-7H,(H,18,19,20)(H2,15,16,17,21)
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n/an/a 3.60E+3n/an/an/an/an/a30



Banyu Tsukuba Research Institute



Assay Description
In vitro kinase assays using synthetic peptides and purified enzymes were incubated at 30°C for 45 min in buffer that contained 50 uM ATP, and d...


J Med Chem 44: 4615-27 (2001)


Article DOI: 10.1021/jm0103256
BindingDB Entry DOI: 10.7270/Q2736P3Q
More data for this
Ligand-Target Pair
Peptide N-myristoyltransferase


(Homo sapiens (Human))
BDBM50121716
PNG
((3-methyl-4-(3-(pyridin-3-ylmethylamino)propoxy)be...)
Show SMILES Cc1c(oc2cccc(OCCCNCc3cccnc3)c12)C(=O)c1ccc(C)cn1
Show InChI InChI=1S/C25H25N3O3/c1-17-9-10-20(28-14-17)24(29)25-18(2)23-21(7-3-8-22(23)31-25)30-13-5-12-27-16-19-6-4-11-26-15-19/h3-4,6-11,14-15,27H,5,12-13,16H2,1-2H3
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n/an/a 4.10E+3n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aspergillus fumigatus Nmt (AfNmt) using substrate peptide GLTISKLFR-R-NH2 (0.5 uM) and myristoyl-CoA (0.5 uM)


Bioorg Med Chem Lett 13: 87-91 (2003)


Article DOI: 10.1016/s0960-894x(02)00844-2
BindingDB Entry DOI: 10.7270/Q25D8V2K
More data for this
Ligand-Target Pair
Peptide N-myristoyltransferase


(Homo sapiens (Human))
BDBM50220565
PNG
(CHEMBL170524)
Show SMILES Cc1nc(sc1C)C(=O)c1oc2cccc(OCCCNCc3cccnc3)c2c1C
Show InChI InChI=1S/C24H25N3O3S/c1-15-21-19(29-12-6-11-26-14-18-7-5-10-25-13-18)8-4-9-20(21)30-23(15)22(28)24-27-16(2)17(3)31-24/h4-5,7-10,13,26H,6,11-12,14H2,1-3H3
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n/an/a 4.30E+3n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Aspergillus fumigatus Nmt (AfNmt) using substrate peptide GLTISKLFR-R-NH2 (0.5 uM) and myristoyl-CoA (0.5 uM)


Bioorg Med Chem Lett 13: 87-91 (2003)


Article DOI: 10.1016/s0960-894x(02)00844-2
BindingDB Entry DOI: 10.7270/Q25D8V2K
More data for this
Ligand-Target Pair
Peptide N-myristoyltransferase


(Homo sapiens (Human))
BDBM50220562
PNG
(CHEMBL171506)
Show SMILES Cc1c(oc2cccc(OCCCNCc3cccnc3)c12)C(=O)c1nc2ccccc2n1CC=C
Show InChI InChI=1S/C29H28N4O3/c1-3-16-33-23-11-5-4-10-22(23)32-29(33)27(34)28-20(2)26-24(12-6-13-25(26)36-28)35-17-8-15-31-19-21-9-7-14-30-18-21/h3-7,9-14,18,31H,1,8,15-17,19H2,2H3
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n/an/a 5.10E+3n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Aspergillus fumigatus Nmt (AfNmt) using substrate peptide GLTISKLFR-R-NH2 (0.5 uM) and myristoyl-CoA (0.5 uM)


Bioorg Med Chem Lett 13: 87-91 (2003)


Article DOI: 10.1016/s0960-894x(02)00844-2
BindingDB Entry DOI: 10.7270/Q25D8V2K
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM6654
PNG
(3-(7-hydroxynaphthalen-1-yl)-1-pyridin-2-ylurea | ...)
Show SMILES Oc1ccc2cccc(NC(=O)Nc3ccccn3)c2c1
Show InChI InChI=1S/C16H13N3O2/c20-12-8-7-11-4-3-5-14(13(11)10-12)18-16(21)19-15-6-1-2-9-17-15/h1-10,20H,(H2,17,18,19,21)
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n/an/a 7.60E+3n/an/an/an/an/a30



Banyu Tsukuba Research Institute



Assay Description
In vitro kinase assays using synthetic peptides and purified enzymes were incubated at 30°C for 45 min in buffer that contained 50 uM ATP, and d...


J Med Chem 44: 4615-27 (2001)


Article DOI: 10.1021/jm0103256
BindingDB Entry DOI: 10.7270/Q2736P3Q
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)/farnesyltransferase beta subunit


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50062254
PNG
(2-({[2,3-Bis-(4-chloro-phenyl)-1-methyl-propyl]-me...)
Show SMILES CC(C(Cc1ccc(Cl)cc1)c1ccc(Cl)cc1)N(C)C(=O)CC(CC(O)=O)C(O)=O
Show InChI InChI=1S/C23H25Cl2NO5/c1-14(26(2)21(27)12-17(23(30)31)13-22(28)29)20(16-5-9-19(25)10-6-16)11-15-3-7-18(24)8-4-15/h3-10,14,17,20H,11-13H2,1-2H3,(H,28,29)(H,30,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Farnesyltransferase from rat brain


J Med Chem 41: 143-7 (1998)


Article DOI: 10.1021/jm970540f
BindingDB Entry DOI: 10.7270/Q23B5Z82
More data for this
Ligand-Target Pair
Peptide N-myristoyltransferase


(Homo sapiens (Human))
BDBM50220564
PNG
(CHEMBL353541)
Show SMILES Cc1c(oc2cccc(OCCCNCc3cccnc3)c12)C(=O)c1ncccc1C(F)(F)F
Show InChI InChI=1S/C25H22F3N3O3/c1-16-21-19(33-13-5-11-30-15-17-6-3-10-29-14-17)8-2-9-20(21)34-24(16)23(32)22-18(25(26,27)28)7-4-12-31-22/h2-4,6-10,12,14,30H,5,11,13,15H2,1H3
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n/an/a 1.10E+4n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Aspergillus fumigatus Nmt (AfNmt) using substrate peptide GLTISKLFR-R-NH2 (0.5 uM) and myristoyl-CoA (0.5 uM)


Bioorg Med Chem Lett 13: 87-91 (2003)


Article DOI: 10.1016/s0960-894x(02)00844-2
BindingDB Entry DOI: 10.7270/Q25D8V2K
More data for this
Ligand-Target Pair
Peptide N-myristoyltransferase


(Homo sapiens (Human))
BDBM50220561
PNG
(CHEMBL173370)
Show SMILES Cc1c(oc2cccc(OCCCNCc3cccnc3)c12)C(=O)c1nc2ccccc2n1C
Show InChI InChI=1S/C27H26N4O3/c1-18-24-22(33-15-7-14-29-17-19-8-6-13-28-16-19)11-5-12-23(24)34-26(18)25(32)27-30-20-9-3-4-10-21(20)31(27)2/h3-6,8-13,16,29H,7,14-15,17H2,1-2H3
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n/an/a 1.30E+4n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Aspergillus fumigatus Nmt (AfNmt) using substrate peptide GLTISKLFR-R-NH2 (0.5 uM) and myristoyl-CoA (0.5 uM)


Bioorg Med Chem Lett 13: 87-91 (2003)


Article DOI: 10.1016/s0960-894x(02)00844-2
BindingDB Entry DOI: 10.7270/Q25D8V2K
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM6641
PNG
((5E)-5-[(2-methyl-1H-indol-3-yl)methylidene]-2-sul...)
Show SMILES Cc1[nH]c2ccccc2c1\C=C1\NC(=S)NC1=O
Show InChI InChI=1S/C13H11N3OS/c1-7-9(6-11-12(17)16-13(18)15-11)8-4-2-3-5-10(8)14-7/h2-6,14H,1H3,(H2,15,16,17,18)/b11-6+
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n/an/a 1.40E+4n/an/an/an/a7.430



Banyu Tsukuba Research Institute



Assay Description
In vitro kinase assays using synthetic peptides and purified enzymes were incubated at 30°C for 45 min in buffer that contained 50 uM ATP, and d...


J Med Chem 44: 4615-27 (2001)


Article DOI: 10.1021/jm0103256
BindingDB Entry DOI: 10.7270/Q2736P3Q
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM6645
PNG
(4-{[(2-amino-4-hydroxypteridin-6-yl)methyl]amino}b...)
Show SMILES Nc1nc2ncc(CNc3ccc(cc3)C(O)=O)nc2c(=O)[nH]1
Show InChI InChI=1S/C14H12N6O3/c15-14-19-11-10(12(21)20-14)18-9(6-17-11)5-16-8-3-1-7(2-4-8)13(22)23/h1-4,6,16H,5H2,(H,22,23)(H3,15,17,19,20,21)
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n/an/a 1.60E+4n/an/an/an/a7.430



Banyu Tsukuba Research Institute



Assay Description
In vitro kinase assays using synthetic peptides and purified enzymes were incubated at 30°C for 45 min in buffer that contained 50 uM ATP, and d...


J Med Chem 44: 4615-27 (2001)


Article DOI: 10.1021/jm0103256
BindingDB Entry DOI: 10.7270/Q2736P3Q
More data for this
Ligand-Target Pair
Peptide N-myristoyltransferase


(Homo sapiens (Human))
BDBM50220559
PNG
(CHEMBL422746)
Show SMILES Cc1csc(n1)C(=O)c1oc2cccc(OCCCNCc3cccnc3)c2c1C
Show InChI InChI=1S/C23H23N3O3S/c1-15-14-30-23(26-15)21(27)22-16(2)20-18(7-3-8-19(20)29-22)28-11-5-10-25-13-17-6-4-9-24-12-17/h3-4,6-9,12,14,25H,5,10-11,13H2,1-2H3
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n/an/a 1.80E+4n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Aspergillus fumigatus Nmt (AfNmt) using substrate peptide GLTISKLFR-R-NH2 (0.5 uM) and myristoyl-CoA (0.5 uM)


Bioorg Med Chem Lett 13: 87-91 (2003)


Article DOI: 10.1016/s0960-894x(02)00844-2
BindingDB Entry DOI: 10.7270/Q25D8V2K
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM6649
PNG
(1-(7-hydroxynaphthalen-1-yl)-3-1,3-thiazol-2-ylure...)
Show SMILES Oc1ccc2cccc(NC(=O)Nc3nccs3)c2c1
Show InChI InChI=1S/C14H11N3O2S/c18-10-5-4-9-2-1-3-12(11(9)8-10)16-13(19)17-14-15-6-7-20-14/h1-8,18H,(H2,15,16,17,19)
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n/an/a 2.30E+4n/an/an/an/an/a30



Banyu Tsukuba Research Institute



Assay Description
In vitro kinase assays using synthetic peptides and purified enzymes were incubated at 30°C for 45 min in buffer that contained 50 uM ATP, and d...


J Med Chem 44: 4615-27 (2001)


Article DOI: 10.1021/jm0103256
BindingDB Entry DOI: 10.7270/Q2736P3Q
More data for this
Ligand-Target Pair
Peptide N-myristoyltransferase


(Homo sapiens (Human))
BDBM50220560
PNG
(CHEMBL173962)
Show SMILES Cc1c(oc2cccc(OCCCNCc3cccnc3)c12)C(=O)c1nccs1
Show InChI InChI=1S/C22H21N3O3S/c1-15-19-17(27-11-4-9-24-14-16-5-3-8-23-13-16)6-2-7-18(19)28-21(15)20(26)22-25-10-12-29-22/h2-3,5-8,10,12-13,24H,4,9,11,14H2,1H3
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n/an/a 2.50E+4n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Nmt (HsNmt) using 0.5 uM peptide GNAASAR-R-NH2 and 0.5 uM myristoyl-CoA


Bioorg Med Chem Lett 13: 87-91 (2003)


Article DOI: 10.1016/s0960-894x(02)00844-2
BindingDB Entry DOI: 10.7270/Q25D8V2K
More data for this
Ligand-Target Pair
Peptide N-myristoyltransferase


(Homo sapiens (Human))
BDBM50121720
PNG
((1-METHYL-1H-IMIDAZOL-2-YL)-(3-METHYL-4-{3-[(PYRID...)
Show SMILES Cc1c(oc2cccc(OCCCNCc3cccnc3)c12)C(=O)c1nccn1C
Show InChI InChI=1S/C23H24N4O3/c1-16-20-18(29-13-5-10-25-15-17-6-4-9-24-14-17)7-3-8-19(20)30-22(16)21(28)23-26-11-12-27(23)2/h3-4,6-9,11-12,14,25H,5,10,13,15H2,1-2H3
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n/an/a 3.00E+4n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Aspergillus fumigatus Nmt (AfNmt) using substrate peptide GLTISKLFR-R-NH2 (0.5 uM) and myristoyl-CoA (0.5 uM)


Bioorg Med Chem Lett 13: 87-91 (2003)


Article DOI: 10.1016/s0960-894x(02)00844-2
BindingDB Entry DOI: 10.7270/Q25D8V2K
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM6643
PNG
(2-amino-4-(2H-1,3-benzodioxol-5-yl)-6-methoxypyrid...)
Show SMILES COc1nc(N)c(C#N)c(-c2ccc3OCOc3c2)c1C#N
Show InChI InChI=1S/C15H10N4O3/c1-20-15-10(6-17)13(9(5-16)14(18)19-15)8-2-3-11-12(4-8)22-7-21-11/h2-4H,7H2,1H3,(H2,18,19)
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n/an/a 3.60E+4n/an/an/an/a7.430



Banyu Tsukuba Research Institute



Assay Description
In vitro kinase assays using synthetic peptides and purified enzymes were incubated at 30°C for 45 min in buffer that contained 50 uM ATP, and d...


J Med Chem 44: 4615-27 (2001)


Article DOI: 10.1021/jm0103256
BindingDB Entry DOI: 10.7270/Q2736P3Q
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM6636
PNG
(3-(3-chlorophenyl)-1-[2-(dimethylamino)quinolin-4-...)
Show SMILES CN(C)c1cc(NC(=O)Nc2cccc(Cl)c2)c2ccccc2n1
Show InChI InChI=1S/C18H17ClN4O/c1-23(2)17-11-16(14-8-3-4-9-15(14)21-17)22-18(24)20-13-7-5-6-12(19)10-13/h3-11H,1-2H3,(H2,20,21,22,24)
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n/an/a 3.60E+4n/an/an/an/a7.430



Banyu Tsukuba Research Institute



Assay Description
In vitro kinase assays using synthetic peptides and purified enzymes were incubated at 30°C for 45 min in buffer that contained 50 uM ATP, and d...


J Med Chem 44: 4615-27 (2001)


Article DOI: 10.1021/jm0103256
BindingDB Entry DOI: 10.7270/Q2736P3Q
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM6638
PNG
(1-(5-hydroxynaphthalen-1-yl)-3-[4-(methylsulfanyl)...)
Show SMILES CSc1ccc(NC(=O)Nc2cccc3c(O)cccc23)cc1
Show InChI InChI=1S/C18H16N2O2S/c1-23-13-10-8-12(9-11-13)19-18(22)20-16-6-2-5-15-14(16)4-3-7-17(15)21/h2-11,21H,1H3,(H2,19,20,22)
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n/an/a 4.00E+4n/an/an/an/a7.430



Banyu Tsukuba Research Institute



Assay Description
In vitro kinase assays using synthetic peptides and purified enzymes were incubated at 30°C for 45 min in buffer that contained 50 uM ATP, and d...


J Med Chem 44: 4615-27 (2001)


Article DOI: 10.1021/jm0103256
BindingDB Entry DOI: 10.7270/Q2736P3Q
More data for this
Ligand-Target Pair
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