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BDBM98803 US8487093, 193

SMILES: Nc1cccc(Br)n1

InChI Key: InChIKey=BKLJUYPLUWUEOQ-UHFFFAOYSA-N

Data: 2 Kd

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 2 hits for monomerid = 98803   
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
Transcriptional regulator MvfR


(Pseudomonas aeruginosa PA14)
BDBM98803
PNG
(US8487093, 193)
Show SMILES Nc1cccc(Br)n1
Show InChI InChI=1S/C5H5BrN2/c6-4-2-1-3-5(7)8-4/h1-3H,(H2,7,8)
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 6.80E+3n/an/an/an/an/a



Helmholtz-Institute for Pharmaceutical Research Saarland

Curated by ChEMBL


Assay Description
Binding affinity to Pseudomonas aeruginosa PA14 biotinylated His6SUMO-tagged PqsR expressed in Eschericia coli BL21 (DE3) by surface plasmon resonanc...


J Med Chem 56: 6761-74 (2013)


Article DOI: 10.1021/jm400830r
BindingDB Entry DOI: 10.7270/Q2T72JV2
More data for this
Ligand-Target Pair
Transcriptional regulator MvfR


(Pseudomonas aeruginosa PA14)
BDBM98803
PNG
(US8487093, 193)
Show SMILES Nc1cccc(Br)n1
Show InChI InChI=1S/C5H5BrN2/c6-4-2-1-3-5(7)8-4/h1-3H,(H2,7,8)
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 1.00E+4n/an/an/an/an/a



Helmholtz-Institute for Pharmaceutical Research Saarland

Curated by ChEMBL


Assay Description
Binding affinity to Pseudomonas aeruginosa PA14 biotinylated His6SUMO-tagged PqsR expressed in Eschericia coli BL21 (lamda DE3) by isothermal titrati...


J Med Chem 56: 6761-74 (2013)


Article DOI: 10.1021/jm400830r
BindingDB Entry DOI: 10.7270/Q2T72JV2
More data for this
Ligand-Target Pair