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BDBM50080869 CHEMBL1236450

SMILES: [O-][N+](=O)c1ccccc1C(=O)NCc1cc(Br)cc(Br)c1OC(=O)c1ccccc1Cl

InChI Key: InChIKey=WKUUVOPOQKZMFY-UHFFFAOYSA-N

Data: 1 EC50

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 = 50080869   
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 activator protein lasR


(Pseudomonas aeruginosa)
BDBM50080869
PNG
(CHEMBL1236450)
Show SMILES [O-][N+](=O)c1ccccc1C(=O)NCc1cc(Br)cc(Br)c1OC(=O)c1ccccc1Cl
Show InChI InChI=1S/C21H13Br2ClN2O5/c22-13-9-12(11-25-20(27)15-6-2-4-8-18(15)26(29)30)19(16(23)10-13)31-21(28)14-5-1-3-7-17(14)24/h1-10H,11H2,(H,25,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/an/an/a 28n/an/an/an/a



Rowan University

Curated by ChEMBL


Assay Description
Agonist activity at Pseudomonas aeruginosa LasR


ACS Med Chem Lett 6: 162-7 (2015)


Article DOI: 10.1021/ml500459f
BindingDB Entry DOI: 10.7270/Q2CV4KF1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)