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BDBM185107 US9156811, DDD100868

SMILES: CC(C)Cc1nn(C)c(C)c1N[S+]([O-])(=O)c1ccc(cc1)-c1ccc2CCCN(C)Cc2c1

InChI Key: InChIKey=JPEQRKSUSLNASS-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 = 185107   
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)
BDBM185107
PNG
(US9156811, DDD100868)
Show SMILES CC(C)Cc1nn(C)c(C)c1N[S+]([O-])(=O)c1ccc(cc1)-c1ccc2CCCN(C)Cc2c1
Show InChI InChI=1S/C26H34N4O2S/c1-18(2)15-25-26(19(3)30(5)27-25)28-33(31,32)24-12-10-21(11-13-24)22-9-8-20-7-6-14-29(4)17-23(20)16-22/h8-13,16,18H,6-7,14-15,17H2,1-5H3,(H-,28,31,32)
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 15n/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)
BDBM185107
PNG
(US9156811, DDD100868)
Show SMILES CC(C)Cc1nn(C)c(C)c1N[S+]([O-])(=O)c1ccc(cc1)-c1ccc2CCCN(C)Cc2c1
Show InChI InChI=1S/C26H34N4O2S/c1-18(2)15-25-26(19(3)30(5)27-25)28-33(31,32)24-12-10-21(11-13-24)22-9-8-20-7-6-14-29(4)17-23(20)16-22/h8-13,16,18H,6-7,14-15,17H2,1-5H3,(H-,28,31,32)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 4n/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))
BDBM185107
PNG
(US9156811, DDD100868)
Show SMILES CC(C)Cc1nn(C)c(C)c1N[S+]([O-])(=O)c1ccc(cc1)-c1ccc2CCCN(C)Cc2c1
Show InChI InChI=1S/C26H34N4O2S/c1-18(2)15-25-26(19(3)30(5)27-25)28-33(31,32)24-12-10-21(11-13-24)22-9-8-20-7-6-14-29(4)17-23(20)16-22/h8-13,16,18H,6-7,14-15,17H2,1-5H3,(H-,28,31,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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