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PDB code 3IWE

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 3 hits Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glycylpeptide N-tetradecanoyltransferase 1

  (382/382 = 100%)
(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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Article
PubMed
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)
Glycylpeptide N-tetradecanoyltransferase 1

  (382/382 = 100%)
(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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Article
PubMed
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)
Glycylpeptide N-tetradecanoyltransferase 1

  (382/382 = 100%)
(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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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antibodypedia
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CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
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)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output