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SMILES: CC(C)Cc1nn(C)c(C)c1N[S+]([O-])(=O)c1ccc(cc1)-c1cccc(CNCCc2cccnc2)c1

InChI Key: InChIKey=KKALBIRLEONXKX-UHFFFAOYSA-N

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 = 185108   
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


(Trypanosoma brucei)
BDBM185108
PNG
(US9156811, DDD100869)
Show SMILES CC(C)Cc1nn(C)c(C)c1N[S+]([O-])(=O)c1ccc(cc1)-c1cccc(CNCCc2cccnc2)c1
Show InChI InChI=1S/C29H35N5O2S/c1-21(2)17-28-29(22(3)34(4)32-28)33-37(35,36)27-12-10-25(11-13-27)26-9-5-7-24(18-26)20-31-16-14-23-8-6-15-30-19-23/h5-13,15,18-19,21,31H,14,16-17,20H2,1-4H3,(H-,33,35,36)
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
Glycylpeptide N-tetradecanoyltransferase


(Leishmania major)
BDBM185108
PNG
(US9156811, DDD100869)
Show SMILES CC(C)Cc1nn(C)c(C)c1N[S+]([O-])(=O)c1ccc(cc1)-c1cccc(CNCCc2cccnc2)c1
Show InChI InChI=1S/C29H35N5O2S/c1-21(2)17-28-29(22(3)34(4)32-28)33-37(35,36)27-12-10-25(11-13-27)26-9-5-7-24(18-26)20-31-16-14-23-8-6-15-30-19-23/h5-13,15,18-19,21,31H,14,16-17,20H2,1-4H3,(H-,33,35,36)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 19n/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
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM185108
PNG
(US9156811, DDD100869)
Show SMILES CC(C)Cc1nn(C)c(C)c1N[S+]([O-])(=O)c1ccc(cc1)-c1cccc(CNCCc2cccnc2)c1
Show InChI InChI=1S/C29H35N5O2S/c1-21(2)17-28-29(22(3)34(4)32-28)33-37(35,36)27-12-10-25(11-13-27)26-9-5-7-24(18-26)20-31-16-14-23-8-6-15-30-19-23/h5-13,15,18-19,21,31H,14,16-17,20H2,1-4H3,(H-,33,35,36)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 6n/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