Found 180 hits with Last Name = 'van aalten' and Initial = 'd' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Endochitinase B1
(Aspergillus fumigatus) | BDBM50173286
(5-[3-[amino-(methylcarbamoylamino)methylidene]amin...)Show SMILES CNC(=O)NC(N)=NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(O)=O |r,w:7.7| Show InChI InChI=1S/C29H41N9O10/c1-15-23(41)35-17(10-7-11-32-28(30)37-29(48)31-2)25(43)38(3)20(12-16-8-5-4-6-9-16)24(42)36-19(27(46)47)14-22(40)34-18(26(44)45)13-21(39)33-15/h4-6,8-9,15,17-20H,7,10-14H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)(H,44,45)(H,46,47)(H4,30,31,32,37,48)/t15-,17+,18+,19+,20+/m1/s1 | PDB
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| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Dundee
Curated by ChEMBL
| Assay Description
Inhihitory activity against Chitinase B1 (AfChiB1) using fuorometric assay with 4-methylumbelliferyl-b-D-N,N0-diacetylchitobiose as substrate |
Bioorg Med Chem Lett 15: 4717-21 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.068
BindingDB Entry DOI: 10.7270/Q2MS3S9T |
More data for this
Ligand-Target Pair | |
Chitinase B
(Serratia marcescens) | BDBM10854
(4-[(1S,4R,10S,13S,16S,18R)-10-{3-[(acetamidomethan...)Show SMILES CC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCC(O)=O)NC(=O)[C@H](Cc2cnc[nH]2)N2[C@H](O)C[C@H](NC(=O)[C@H]3CCCN3C1=O)C2=O |r| Show InChI InChI=1S/C29H42N10O9/c1-15(40)34-29(30)32-9-3-6-18-27(47)38-10-4-7-20(38)25(45)37-19-12-22(41)39(28(19)48)21(11-16-13-31-14-33-16)26(46)35-17(24(44)36-18)5-2-8-23(42)43/h13-14,17-22,41H,2-12H2,1H3,(H,31,33)(H,35,46)(H,36,44)(H,37,45)(H,42,43)(H3,30,32,34,40)/t17-,18-,19-,20+,21-,22+/m0/s1 | PDB
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| 20 | -45.7 | n/a | n/a | n/a | n/a | n/a | 5.5 | 37 |
University of Dundee
| Assay Description
The IC50s of inhibitor against the human chitinase were determined using the fluorogenic substrate 4MU-NAG3. The fluorescence of the liberated 4MU wa... |
Chem Biol 12: 65-76 (2005)
Article DOI: 10.1016/j.chembiol.2004.10.013
BindingDB Entry DOI: 10.7270/Q23F4MV6 |
More data for this
Ligand-Target Pair | |
Acidic mammalian chitinase
(Homo sapiens (Human)) | BDBM81509
(Bisdionin F)Show SMILES Cn1cnc2n(C)c(=O)n(CCCn3c(=O)n(C)c4nc[nH]c4c3=O)c(=O)c12 Show InChI InChI=1S/C16H18N8O4/c1-20-8-19-12-10(20)14(26)24(16(28)22(12)3)6-4-5-23-13(25)9-11(18-7-17-9)21(2)15(23)27/h7-8H,4-6H2,1-3H3,(H,17,18) | PDB
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| 420 | -37.9 | 920 | n/a | n/a | n/a | n/a | 5.2 | 37 |
University of Edinburgh
| Assay Description
Chitnase inhibition by bisdionin compounds. |
Chem Biol 18: 569-79 (2011)
Article DOI: 10.1016/j.chembiol.2011.02.017
BindingDB Entry DOI: 10.7270/Q28W3BSN |
More data for this
Ligand-Target Pair | |
Endochitinase
(Saccharomyces cerevisiae) | BDBM50331851
(Allosamidin | CHEMBL1230997)Show SMILES CN(C)C1=N[C@@H]2[C@@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]4NC(C)=O)[C@@H](O)[C@H]3NC(C)=O)[C@@H](CO)[C@@H]2O1 |r,t:3| Show InChI InChI=1S/C25H42N4O14/c1-8(33)26-14-17(36)16(35)11(6-31)39-23(14)42-22-12(7-32)40-24(15(19(22)38)27-9(2)34)41-21-10(5-30)20-13(18(21)37)28-25(43-20)29(3)4/h10-24,30-32,35-38H,5-7H2,1-4H3,(H,26,33)(H,27,34)/t10-,11+,12+,13+,14+,15+,16+,17-,18+,19-,20-,21+,22+,23-,24-/m0/s1 | PDB
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| 610 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Dundee
Curated by ChEMBL
| Assay Description
Inhibition of Saccharomyces cerevisiae CTS1 |
Bioorg Med Chem 18: 8334-40 (2010)
Article DOI: 10.1016/j.bmc.2010.09.062
BindingDB Entry DOI: 10.7270/Q2NZ87WR |
More data for this
Ligand-Target Pair | |
Endochitinase
(Saccharomyces cerevisiae) | BDBM39302
(CHEMBL228792 | MLS000101228 | N-(2-furanylmethyl)-...)Show InChI InChI=1S/C10H9N5O/c1-2-7(16-3-1)4-11-9-8-10(13-5-12-8)15-6-14-9/h1-3,5-6H,4H2,(H2,11,12,13,14,15) | PDB
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| 3.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Dundee
Curated by ChEMBL
| Assay Description
Inhibition of Saccharomyces cerevisiae CTS1 |
Bioorg Med Chem 18: 8334-40 (2010)
Article DOI: 10.1016/j.bmc.2010.09.062
BindingDB Entry DOI: 10.7270/Q2NZ87WR |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Endochitinase
(Saccharomyces cerevisiae) | BDBM10880
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9) | PDB
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| 2.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Dundee
Curated by ChEMBL
| Assay Description
Inhibition of Saccharomyces cerevisiae CTS1 |
Bioorg Med Chem 18: 8334-40 (2010)
Article DOI: 10.1016/j.bmc.2010.09.062
BindingDB Entry DOI: 10.7270/Q2NZ87WR |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Chitinase B
(Serratia marcescens) | BDBM10853
((2R,5S,8S,11S,15S)-8-benzyl-2,7-dimethyl-5-[3-({[(...)Show SMILES CNC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C29H41N9O10/c1-15-23(41)35-17(10-7-11-32-28(30)37-29(48)31-2)25(43)38(3)20(12-16-8-5-4-6-9-16)24(42)36-19(27(46)47)14-22(40)34-18(26(44)45)13-21(39)33-15/h4-6,8-9,15,17-20H,7,10-14H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)(H,44,45)(H,46,47)(H4,30,31,32,37,48)/t15-,17+,18+,19+,20+/m1/s1 | PDB
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| 3.30E+4 | -26.6 | n/a | n/a | n/a | n/a | n/a | 5.5 | 37 |
University of Dundee
| Assay Description
The IC50s of inhibitor against the human chitinase were determined using the fluorogenic substrate 4MU-NAG3. The fluorescence of the liberated 4MU wa... |
Chem Biol 12: 65-76 (2005)
Article DOI: 10.1016/j.chembiol.2004.10.013
BindingDB Entry DOI: 10.7270/Q23F4MV6 |
More data for this
Ligand-Target Pair | |
Endochitinase B1
(Aspergillus fumigatus) | BDBM10850
(1-(5-Oxohexyl)theobromine (pentoxifylline) | 3,7-d...)Show InChI InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3 | PDB
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| 3.70E+4 | -26.3 | 1.26E+5 | n/a | n/a | n/a | n/a | 5.5 | 37 |
University of Dundee
| Assay Description
The IC50s of inhibitor against the human chitinase were determined using the fluorogenic substrate 4MU-NAG3. The fluorescence of the liberated 4MU wa... |
Chem Biol 12: 973-80 (2005)
Article DOI: 10.1016/j.chembiol.2005.07.009
BindingDB Entry DOI: 10.7270/Q2765CJG |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Endochitinase
(Saccharomyces cerevisiae) | BDBM50331852
(8-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DI...)Show InChI InChI=1S/C7H7ClN4O2/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h1-2H3,(H,9,10) | PDB
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| 3.40E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Dundee
Curated by ChEMBL
| Assay Description
Inhibition of Saccharomyces cerevisiae CTS1 |
Bioorg Med Chem 18: 8334-40 (2010)
Article DOI: 10.1016/j.bmc.2010.09.062
BindingDB Entry DOI: 10.7270/Q2NZ87WR |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Glycylpeptide N-tetradecanoyltransferase 1
(Homo sapiens (Human)) | BDBM50364113
(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 | PDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Glycylpeptide N-tetradecanoyltransferase 2
(Homo sapiens (Human)) | BDBM50364113
(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 | PDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Glycylpeptide N-tetradecanoyltransferase 1
(Homo sapiens (Human)) | BDBM50033418
(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 | PDB
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Glycylpeptide N-tetradecanoyltransferase 1
(Homo sapiens (Human)) | BDBM50033485
(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 | PDB
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Glycylpeptide N-tetradecanoyltransferase 1
(Homo sapiens (Human)) | BDBM50033480
(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 | PDB
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Glycylpeptide N-tetradecanoyltransferase 1
(Homo sapiens (Human)) | BDBM50033616
(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 | PDB
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Glycylpeptide N-tetradecanoyltransferase 1
(Homo sapiens (Human)) | BDBM50033618
(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 | PDB
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/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 | |
3-phosphoinositide-dependent protein kinase 1 [51-359]
(Homo sapiens (Human)) | BDBM17054
((2S,3R,4R,6R,18R)-18-hydroxy-3-methoxy-2-methyl-4-...)Show SMILES [H][C@]12C[C@@H](NC)[C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4[C@@H](O)NC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O4/c1-28-25(35-3)15(29-2)12-18(36-28)31-16-10-6-4-8-13(16)19-21-22(27(34)30-26(21)33)20-14-9-5-7-11-17(14)32(28)24(20)23(19)31/h4-11,15,18,25,27,29,34H,12H2,1-3H3,(H,30,33)/t15-,18-,25-,27-,28+/m1/s1 | PDB
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| PDB
Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | 7.5 | 30 |
University of Dundee
| Assay Description
In vitro PDK1 assay using purified enzyme, was incubated with substrate PDKtide, and test compounds in the presence of ATP/ [gamma-32P] ATP. 32P inco... |
Biochem J 375: 255-62 (2003)
Article DOI: 10.1042/BJ20031119
BindingDB Entry DOI: 10.7270/Q2X928JB |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Glycylpeptide N-tetradecanoyltransferase 1
(Homo sapiens (Human)) | BDBM50033482
(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 | PDB
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UniChem
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Glycylpeptide N-tetradecanoyltransferase 1
(Homo sapiens (Human)) | BDBM50033617
(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 | PDB
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/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 | |
3-phosphoinositide-dependent protein kinase 1 [51-359]
(Homo sapiens (Human)) | BDBM17054
((2S,3R,4R,6R,18R)-18-hydroxy-3-methoxy-2-methyl-4-...)Show SMILES [H][C@]12C[C@@H](NC)[C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4[C@@H](O)NC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O4/c1-28-25(35-3)15(29-2)12-18(36-28)31-16-10-6-4-8-13(16)19-21-22(27(34)30-26(21)33)20-14-9-5-7-11-17(14)32(28)24(20)23(19)31/h4-11,15,18,25,27,29,34H,12H2,1-3H3,(H,30,33)/t15-,18-,25-,27-,28+/m1/s1 | PDB
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| PDB
Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | 7.5 | 30 |
University of Dundee
| Assay Description
In vitro PDK1 assay using purified enzyme, was incubated with substrate PDKtide, and test compounds in the presence of ATP/ [gamma-32P] ATP. 32P inco... |
Structure 12: 215-26 (2004)
Article DOI: 10.1016/j.str.2004.01.005
BindingDB Entry DOI: 10.7270/Q2SJ1HV2 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
3-phosphoinositide-dependent protein kinase 1 [51-359]
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB
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Patents
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| PDB
Article
PubMed
| n/a | n/a | 6.5 | n/a | n/a | n/a | n/a | 7.5 | 30 |
University of Dundee
| Assay Description
In vitro PDK1 assay using purified enzyme, was incubated with substrate PDKtide, and test compounds in the presence of ATP/ [gamma-32P] ATP. 32P inco... |
Biochem J 375: 255-62 (2003)
Article DOI: 10.1042/BJ20031119
BindingDB Entry DOI: 10.7270/Q2X928JB |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Glycylpeptide N-tetradecanoyltransferase 1
(Homo sapiens (Human)) | BDBM50033478
(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 | PDB
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UniChem
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| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Glycylpeptide N-tetradecanoyltransferase 1
(Homo sapiens (Human)) | BDBM50033619
(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 | PDB
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UniChem
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| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Glycylpeptide N-tetradecanoyltransferase 1
(Homo sapiens (Human)) | BDBM50033614
(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 | PDB
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| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Glycylpeptide N-tetradecanoyltransferase 1
(Homo sapiens (Human)) | BDBM50033414
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Glycylpeptide N-tetradecanoyltransferase 1
(Homo sapiens (Human)) | BDBM50033487
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Glycylpeptide N-tetradecanoyltransferase 1
(Homo sapiens (Human)) | BDBM50033588
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Glycylpeptide N-tetradecanoyltransferase 1
(Homo sapiens (Human)) | BDBM50033415
(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 | PDB
MMDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Chitotriosidase-1
(Homo sapiens (Human)) | BDBM10854
(4-[(1S,4R,10S,13S,16S,18R)-10-{3-[(acetamidomethan...)Show SMILES CC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCC(O)=O)NC(=O)[C@H](Cc2cnc[nH]2)N2[C@H](O)C[C@H](NC(=O)[C@H]3CCCN3C1=O)C2=O |r| Show InChI InChI=1S/C29H42N10O9/c1-15(40)34-29(30)32-9-3-6-18-27(47)38-10-4-7-20(38)25(45)37-19-12-22(41)39(28(19)48)21(11-16-13-31-14-33-16)26(46)35-17(24(44)36-18)5-2-8-23(42)43/h13-14,17-22,41H,2-12H2,1H3,(H,31,33)(H,35,46)(H,36,44)(H,37,45)(H,42,43)(H3,30,32,34,40)/t17-,18-,19-,20+,21-,22+/m0/s1 | PDB
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MMDB
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| MMDB
PDB
Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | 5.2 | 37 |
University of Dundee
| Assay Description
The IC50s of inhibitor against the human chitinase were determined using the fluorogenic substrate 4MU-NAG3. The fluorescence of the liberated 4MU wa... |
Chem Biol 12: 65-76 (2005)
Article DOI: 10.1016/j.chembiol.2004.10.013
BindingDB Entry DOI: 10.7270/Q23F4MV6 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Glycylpeptide N-tetradecanoyltransferase 1
(Homo sapiens (Human)) | BDBM50033420
(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 | PDB
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Reactome pathway
KEGG
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Glycylpeptide N-tetradecanoyltransferase 1
(Homo sapiens (Human)) | BDBM50033488
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Glycylpeptide N-tetradecanoyltransferase 1
(Homo sapiens (Human)) | BDBM50033582
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Glycylpeptide N-tetradecanoyltransferase 1
(Homo sapiens (Human)) | BDBM50033486
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Glycylpeptide N-tetradecanoyltransferase 1
(Homo sapiens (Human)) | BDBM50033421
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Glycylpeptide N-tetradecanoyltransferase 1
(Homo sapiens (Human)) | BDBM50033584
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Glycylpeptide N-tetradecanoyltransferase 1
(Homo sapiens (Human)) | BDBM50033422
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Glycylpeptide N-tetradecanoyltransferase 1
(Homo sapiens (Human)) | BDBM50033417
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Endochitinase B1
(Aspergillus fumigatus) | BDBM10853
((2R,5S,8S,11S,15S)-8-benzyl-2,7-dimethyl-5-[3-({[(...)Show SMILES CNC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C29H41N9O10/c1-15-23(41)35-17(10-7-11-32-28(30)37-29(48)31-2)25(43)38(3)20(12-16-8-5-4-6-9-16)24(42)36-19(27(46)47)14-22(40)34-18(26(44)45)13-21(39)33-15/h4-6,8-9,15,17-20H,7,10-14H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)(H,44,45)(H,46,47)(H4,30,31,32,37,48)/t15-,17+,18+,19+,20+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | 5.5 | n/a |
University of Dundee
| Assay Description
Inhibition of argifin and other peptide derivatives against AfchiB1 and hCHT. |
Chem Biol 15: 295-301 (2008)
Article DOI: 10.1016/j.chembiol.2008.02.015
BindingDB Entry DOI: 10.7270/Q2JH3JN1 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Glycylpeptide N-tetradecanoyltransferase 1
(Homo sapiens (Human)) | BDBM50033483
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Glycylpeptide N-tetradecanoyltransferase 1
(Homo sapiens (Human)) | BDBM50033428
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Glycylpeptide N-tetradecanoyltransferase 1
(Homo sapiens (Human)) | BDBM50033481
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Acidic mammalian chitinase
(Homo sapiens (Human)) | BDBM50331851
(Allosamidin | CHEMBL1230997)Show SMILES CN(C)C1=N[C@@H]2[C@@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]4NC(C)=O)[C@@H](O)[C@H]3NC(C)=O)[C@@H](CO)[C@@H]2O1 |r,t:3| Show InChI InChI=1S/C25H42N4O14/c1-8(33)26-14-17(36)16(35)11(6-31)39-23(14)42-22-12(7-32)40-24(15(19(22)38)27-9(2)34)41-21-10(5-30)20-13(18(21)37)28-25(43-20)29(3)4/h10-24,30-32,35-38H,5-7H2,1-4H3,(H,26,33)(H,27,34)/t10-,11+,12+,13+,14+,15+,16+,17-,18+,19-,20-,21+,22+,23-,24-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Dundee
Curated by ChEMBL
| Assay Description
Inhibition of human chitinase |
Bioorg Med Chem 18: 8334-40 (2010)
Article DOI: 10.1016/j.bmc.2010.09.062
BindingDB Entry DOI: 10.7270/Q2NZ87WR |
More data for this
Ligand-Target Pair | |
Glycylpeptide N-tetradecanoyltransferase 1
(Homo sapiens (Human)) | BDBM50033622
(CHEMBL3358125)Show SMILES CN1CCC[C@@H]1COCCCc1cc(Cl)c(c(Cl)c1)S(=O)(=O)N(C(F)F)c1c(C)nn(C)c1C |r| Show InChI InChI=1S/C22H30Cl2F2N4O3S/c1-14-20(15(2)29(4)27-14)30(22(25)26)34(31,32)21-18(23)11-16(12-19(21)24)7-6-10-33-13-17-8-5-9-28(17)3/h11-12,17,22H,5-10,13H2,1-4H3/t17-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Glycylpeptide N-tetradecanoyltransferase 1
(Homo sapiens (Human)) | BDBM50033624
(CHEMBL3358127)Show SMILES [H][C@]12CCCN1CCN(CCCc1cc(Cl)c(c(Cl)c1)S(=O)(=O)N(C(F)F)c1c(C)nn(C)c1C)C2 |r| Show InChI InChI=1S/C23H31Cl2F2N5O2S/c1-15-21(16(2)29(3)28-15)32(23(26)27)35(33,34)22-19(24)12-17(13-20(22)25)6-4-8-30-10-11-31-9-5-7-18(31)14-30/h12-13,18,23H,4-11,14H2,1-3H3/t18-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Glycylpeptide N-tetradecanoyltransferase 1
(Homo sapiens (Human)) | BDBM50033416
(CHEMBL3357683)Show SMILES Cn1cc(NS(=O)(=O)c2c(Cl)cc(cc2Cl)-c2ccnc(c2)N2CCNCC2)cn1 Show InChI InChI=1S/C19H20Cl2N6O2S/c1-26-12-15(11-24-26)25-30(28,29)19-16(20)8-14(9-17(19)21)13-2-3-23-18(10-13)27-6-4-22-5-7-27/h2-3,8-12,22,25H,4-7H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 59 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Glycylpeptide N-tetradecanoyltransferase 1
(Homo sapiens (Human)) | BDBM50033620
(CHEMBL3358123)Show SMILES CN1CCC[C@H]1COCCCc1cc(Cl)c(c(Cl)c1)S(=O)(=O)N(C(F)F)c1c(C)nn(C)c1C |r| Show InChI InChI=1S/C22H30Cl2F2N4O3S/c1-14-20(15(2)29(4)27-14)30(22(25)26)34(31,32)21-18(23)11-16(12-19(21)24)7-6-10-33-13-17-8-5-9-28(17)3/h11-12,17,22H,5-10,13H2,1-4H3/t17-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 74 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Glycylpeptide N-tetradecanoyltransferase 1
(Homo sapiens (Human)) | BDBM50033479
(CHEMBL3357696)Show SMILES Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(CCCC2CCNCC2)cc1 Show InChI InChI=1S/C20H30N4O2S/c1-15-20(16(2)24(3)22-15)23-27(25,26)19-9-7-17(8-10-19)5-4-6-18-11-13-21-14-12-18/h7-10,18,21,23H,4-6,11-14H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Glycylpeptide N-tetradecanoyltransferase 1
(Homo sapiens (Human)) | BDBM50033623
(CHEMBL3358126)Show SMILES CN1CCCC[C@@H]1COCCCc1cc(Cl)c(c(Cl)c1)S(=O)(=O)N(C(F)F)c1c(C)nn(C)c1C |r| Show InChI InChI=1S/C23H32Cl2F2N4O3S/c1-15-21(16(2)30(4)28-15)31(23(26)27)35(32,33)22-19(24)12-17(13-20(22)25)8-7-11-34-14-18-9-5-6-10-29(18)3/h12-13,18,23H,5-11,14H2,1-4H3/t18-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Glycylpeptide N-tetradecanoyltransferase 1
(Homo sapiens (Human)) | BDBM50033615
(CHEMBL3358118)Show SMILES CN1CCN(CCCc2cc(Cl)c(c(Cl)c2)S(=O)(=O)N(C(F)F)c2c(C)nn(C)c2C)CC1 Show InChI InChI=1S/C21H29Cl2F2N5O2S/c1-14-19(15(2)28(4)26-14)30(21(24)25)33(31,32)20-17(22)12-16(13-18(20)23)6-5-7-29-10-8-27(3)9-11-29/h12-13,21H,5-11H2,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Glycylpeptide N-tetradecanoyltransferase 1
(Homo sapiens (Human)) | BDBM50033595
(CHEMBL3358115)Show SMILES CN1CCC(CCCc2cc(Cl)c(c(Cl)c2)S(=O)(=O)N(CC(F)F)c2c(C)nn(C)c2C)CC1 Show InChI InChI=1S/C23H32Cl2F2N4O2S/c1-15-22(16(2)30(4)28-15)31(14-21(26)27)34(32,33)23-19(24)12-18(13-20(23)25)7-5-6-17-8-10-29(3)11-9-17/h12-13,17,21H,5-11,14H2,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/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 | |
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