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BDBM185078 US9156811, DDD100164

SMILES: CN1CCCN(CCCc2cc(Cl)c(c(Cl)c2)[S+]([O-])(=O)N(C(F)F)c2c(C)nn(C)c2C)CC1

InChI Key: InChIKey=JHFMAYRHBZNEBV-UHFFFAOYSA-N

Data: 3 IC50

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 3 hits for monomerid = 185078   
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
N-myristoyltransferase (NMT1)


(Trypanosoma brucei)
BDBM185078
PNG
(US9156811, DDD100164)
Show SMILES CN1CCCN(CCCc2cc(Cl)c(c(Cl)c2)[S+]([O-])(=O)N(C(F)F)c2c(C)nn(C)c2C)CC1
Show InChI InChI=1S/C22H31Cl2F2N5O2S/c1-15-20(16(2)29(4)27-15)31(22(25)26)34(32,33)21-18(23)13-17(14-19(21)24)7-5-9-30-10-6-8-28(3)11-12-30/h13-14,22H,5-12H2,1-4H3
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2n/an/an/an/a7.425



Univeristy of Dundee

US Patent


Assay Description
Measurement of the ability of compounds to inhibit the NMT-1 and/or NMT-2 enzyme isoforms of human, trypanosome (T. brucei), leishmanial (L. major) a...


US Patent US9156811 (2015)


BindingDB Entry DOI: 10.7270/Q2K35SGM
More data for this
Ligand-Target Pair
N-myristoyltransferase (NMT1)


(Leishmania major)
BDBM185078
PNG
(US9156811, DDD100164)
Show SMILES CN1CCCN(CCCc2cc(Cl)c(c(Cl)c2)[S+]([O-])(=O)N(C(F)F)c2c(C)nn(C)c2C)CC1
Show InChI InChI=1S/C22H31Cl2F2N5O2S/c1-15-20(16(2)29(4)27-15)31(22(25)26)34(32,33)21-18(23)13-17(14-19(21)24)7-5-9-30-10-6-8-28(3)11-12-30/h13-14,22H,5-12H2,1-4H3
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 5n/an/an/an/a7.425



Univeristy of Dundee

US Patent


Assay Description
Measurement of the ability of compounds to inhibit the NMT-1 and/or NMT-2 enzyme isoforms of human, trypanosome (T. brucei), leishmanial (L. major) a...


US Patent US9156811 (2015)


BindingDB Entry DOI: 10.7270/Q2K35SGM
More data for this
Ligand-Target Pair
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(Homo sapiens (Human))
BDBM185078
PNG
(US9156811, DDD100164)
Show SMILES CN1CCCN(CCCc2cc(Cl)c(c(Cl)c2)[S+]([O-])(=O)N(C(F)F)c2c(C)nn(C)c2C)CC1
Show InChI InChI=1S/C22H31Cl2F2N5O2S/c1-15-20(16(2)29(4)27-15)31(22(25)26)34(32,33)21-18(23)13-17(14-19(21)24)7-5-9-30-10-6-8-28(3)11-12-30/h13-14,22H,5-12H2,1-4H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 7n/an/an/an/a7.425



Univeristy of Dundee

US Patent


Assay Description
Measurement of the ability of compounds to inhibit the NMT-1 and/or NMT-2 enzyme isoforms of human, trypanosome (T. brucei), leishmanial (L. major) a...


US Patent US9156811 (2015)


BindingDB Entry DOI: 10.7270/Q2K35SGM
More data for this
Ligand-Target Pair