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BDBM50033617 CHEMBL3358120

SMILES: CN1CCC(CCCCc2cc(Cl)c(c(Cl)c2)S(=O)(=O)N(C(F)F)c2c(C)nn(C)c2C)CC1

InChI Key: InChIKey=UGQSROIUKTXJQO-UHFFFAOYSA-N

Data: 2 IC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50033617   
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
Peptide N-myristoyltransferase


(Homo sapiens (Human))
BDBM50033617
PNG
(CHEMBL3358120)
Show SMILES CN1CCC(CCCCc2cc(Cl)c(c(Cl)c2)S(=O)(=O)N(C(F)F)c2c(C)nn(C)c2C)CC1
Show InChI InChI=1S/C23H32Cl2F2N4O2S/c1-15-21(16(2)30(4)28-15)31(23(26)27)34(32,33)22-19(24)13-18(14-20(22)25)8-6-5-7-17-9-11-29(3)12-10-17/h13-14,17,23H,5-12H2,1-4H3
PDB
MMDB

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Article
PubMed
n/an/a 5n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human NMT1 using [3H]-myristoyl-coA/biotinylated CAP5.5 as substrate after 15 mins by scintillation/luminescence counting method


J Med Chem 60: 9790-9806 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01255
BindingDB Entry DOI: 10.7270/Q25141NZ
More data for this
Ligand-Target Pair
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(Homo sapiens (Human))
BDBM50033617
PNG
(CHEMBL3358120)
Show SMILES CN1CCC(CCCCc2cc(Cl)c(c(Cl)c2)S(=O)(=O)N(C(F)F)c2c(C)nn(C)c2C)CC1
Show InChI InChI=1S/C23H32Cl2F2N4O2S/c1-15-21(16(2)30(4)28-15)31(23(26)27)34(32,33)22-19(24)13-18(14-20(22)25)8-6-5-7-17-9-11-29(3)12-10-17/h13-14,17,23H,5-12H2,1-4H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 5n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


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


J Med Chem 57: 9855-69 (2014)


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