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BDBM119067 RWJ-3981 (compound 2)

SMILES: Clc1ssc(=O)c1-c1ccccc1

InChI Key: InChIKey=BWTGFYQZOUAOQW-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 119067   
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
MurA (E. coli)


(Escherichia coli K-12 (Enterobacteria))
BDBM119067
PNG
(RWJ-3981 (compound 2))
Show SMILES Clc1ssc(=O)c1-c1ccccc1
Show InChI InChI=1S/C9H5ClOS2/c10-8-7(9(11)13-12-8)6-4-2-1-3-5-6/h1-5H
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 200n/an/an/an/an/an/a



University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia





Bioorg Chem 55: 2-15 (2014)


Article DOI: 10.1016/j.bioorg.2014.03.008
BindingDB Entry DOI: 10.7270/Q2ZG6QWR
More data for this
Ligand-Target Pair