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BDBM18103 2-({[2-(1H-1,3-benzodiazol-2-ylmethoxy)phenyl]methyl}amino)-1-(4-bromothiophen-2-yl)ethan-1-ol::ethanolamine, 48

SMILES: OC(CNCc1ccccc1OCc1nc2ccccc2[nH]1)c1cc(Br)cs1

InChI Key: InChIKey=IPWNCKFFJZRKSJ-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 = 18103   
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
Phenylalanine--tRNA ligase alpha/beta subunit


(Staphylococcus aureus)
BDBM18103
PNG
(2-({[2-(1H-1,3-benzodiazol-2-ylmethoxy)phenyl]meth...)
Show SMILES OC(CNCc1ccccc1OCc1nc2ccccc2[nH]1)c1cc(Br)cs1
Show InChI InChI=1S/C21H20BrN3O2S/c22-15-9-20(28-13-15)18(26)11-23-10-14-5-1-4-8-19(14)27-12-21-24-16-6-2-3-7-17(16)25-21/h1-9,13,18,23,26H,10-12H2,(H,24,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 26n/an/an/an/a2.0n/a



GSK



Assay Description
The reactions were performed in 96-well Packard 384-well Packard Optiplates. After 10 min of incubation, the reaction was stopped by addition of a co...


Bioorg Med Chem Lett 15: 2305-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.003
BindingDB Entry DOI: 10.7270/Q25D8Q3C
More data for this
Ligand-Target Pair
Phenylalanine--tRNA ligase alpha/beta subunit


(Haemophilus influenzae)
BDBM18103
PNG
(2-({[2-(1H-1,3-benzodiazol-2-ylmethoxy)phenyl]meth...)
Show SMILES OC(CNCc1ccccc1OCc1nc2ccccc2[nH]1)c1cc(Br)cs1
Show InChI InChI=1S/C21H20BrN3O2S/c22-15-9-20(28-13-15)18(26)11-23-10-14-5-1-4-8-19(14)27-12-21-24-16-6-2-3-7-17(16)25-21/h1-9,13,18,23,26H,10-12H2,(H,24,25)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 150n/an/an/an/a2.0n/a



GSK



Assay Description
The reactions were performed in 96-well Packard 384-well Packard Optiplates. After 10 min of incubation, the reaction was stopped by addition of a co...


Bioorg Med Chem Lett 15: 2305-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.003
BindingDB Entry DOI: 10.7270/Q25D8Q3C
More data for this
Ligand-Target Pair
Phenylalanine--tRNA ligase alpha/beta subunit


(Streptococcus pneumoniae)
BDBM18103
PNG
(2-({[2-(1H-1,3-benzodiazol-2-ylmethoxy)phenyl]meth...)
Show SMILES OC(CNCc1ccccc1OCc1nc2ccccc2[nH]1)c1cc(Br)cs1
Show InChI InChI=1S/C21H20BrN3O2S/c22-15-9-20(28-13-15)18(26)11-23-10-14-5-1-4-8-19(14)27-12-21-24-16-6-2-3-7-17(16)25-21/h1-9,13,18,23,26H,10-12H2,(H,24,25)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 250n/an/an/an/a2.0n/a



GSK



Assay Description
The reactions were performed in 96-well Packard 384-well Packard Optiplates. After 10 min of incubation, the reaction was stopped by addition of a co...


Bioorg Med Chem Lett 15: 2305-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.003
BindingDB Entry DOI: 10.7270/Q25D8Q3C
More data for this
Ligand-Target Pair