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SMILES: Cc1c(oc2cccc(OCCCNCc3cccnc3)c12)C(=O)c1nccn1C

InChI Key: InChIKey=VZBQJKIOAOUYJL-UHFFFAOYSA-N

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50121720   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glycylpeptide N-tetradecanoyltransferase


(Candida albicans (Yeast))
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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KEGG

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Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Nippon Roche Research Center



Assay Description
Inhibition activity against C. albicans Nmt and human Nmt as assessed by IC50 using myristoyl-CoA (0.5 uM) and peptide substrate GLTISKLFRR-NH2 (0.5 ...


Chem Biol 9: 1119-28 (2002)


Article DOI: 10.1016/S1074-5521(02)00240-5
BindingDB Entry DOI: 10.7270/Q2BV7F0C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glycylpeptide N-tetradecanoyltransferase 1


(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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Reactome pathway
KEGG

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Article
PubMed
n/an/a 69n/an/an/an/an/an/a



Nippon Roche Research Center



Assay Description
Inhibition activity against C. albicans Nmt and human Nmt as assessed by IC50 using myristoyl-CoA (0.5 uM) and peptide substrate GLTISKLFRR-NH2 (0.5 ...


Chem Biol 9: 1119-28 (2002)


Article DOI: 10.1016/S1074-5521(02)00240-5
BindingDB Entry DOI: 10.7270/Q2BV7F0C
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1/2


(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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PubMed
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)


BindingDB Entry DOI: 10.7270/Q25D8V2K
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1/2


(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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PubMed
n/an/a 6.90E+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)


BindingDB Entry DOI: 10.7270/Q25D8V2K
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1/2


(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
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Similars

PubMed
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)


BindingDB Entry DOI: 10.7270/Q25D8V2K
More data for this
Ligand-Target Pair