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BDBM184920 US9156811, DDD87767

SMILES: Cc1nn(C)c(C)c1N[S+]([O-])(=O)c1ccc(cc1)-c1ccnc(c1)N1CCCNCC1

InChI Key: InChIKey=JIXHFDPLDUQICU-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 = 184920   
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)
BDBM184920
PNG
(US9156811, DDD87767)
Show SMILES Cc1nn(C)c(C)c1N[S+]([O-])(=O)c1ccc(cc1)-c1ccnc(c1)N1CCCNCC1
Show InChI InChI=1S/C22H28N6O2S/c1-16-22(17(2)27(3)25-16)26-31(29,30)20-7-5-18(6-8-20)19-9-11-24-21(15-19)28-13-4-10-23-12-14-28/h5-9,11,15,23H,4,10,12-14H2,1-3H3,(H-,26,29,30)
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)


(Aspergillus fumigatus)
BDBM184920
PNG
(US9156811, DDD87767)
Show SMILES Cc1nn(C)c(C)c1N[S+]([O-])(=O)c1ccc(cc1)-c1ccnc(c1)N1CCCNCC1
Show InChI InChI=1S/C22H28N6O2S/c1-16-22(17(2)27(3)25-16)26-31(29,30)20-7-5-18(6-8-20)19-9-11-24-21(15-19)28-13-4-10-23-12-14-28/h5-9,11,15,23H,4,10,12-14H2,1-3H3,(H-,26,29,30)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 8n/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))
BDBM184920
PNG
(US9156811, DDD87767)
Show SMILES Cc1nn(C)c(C)c1N[S+]([O-])(=O)c1ccc(cc1)-c1ccnc(c1)N1CCCNCC1
Show InChI InChI=1S/C22H28N6O2S/c1-16-22(17(2)27(3)25-16)26-31(29,30)20-7-5-18(6-8-20)19-9-11-24-21(15-19)28-13-4-10-23-12-14-28/h5-9,11,15,23H,4,10,12-14H2,1-3H3,(H-,26,29,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 8n/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