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BDBM113770 NS2028 (1)

SMILES: Brc1ccc2OCc3noc(=O)n3-c2c1

InChI Key: InChIKey=MUDRLQRJCGJJTB-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

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 1 hit for monomerid = 113770   
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
PvdQ


(Pseudomonas aeruginosa)
BDBM113770
PNG
(NS2028 (1))
Show SMILES Brc1ccc2OCc3noc(=O)n3-c2c1
Show InChI InChI=1S/C9H5BrN2O3/c10-5-1-2-7-6(3-5)12-8(4-14-7)11-15-9(12)13/h1-3H,4H2
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MMDB

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PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 1.30E+5n/an/an/an/an/an/a



The Broad Institute , Cambridge, Massachusetts 02142, United States



Assay Description
The assay was performed with nine compound concentrations that ranged from 3 nM to 19.5 µM with PvdQ concentration of 20 nM. The positive contro...


ACS Chem Biol 9: 1536-44 (2014)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)