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BDBM31968 trimethoxybenzyl thiourea, 5k

SMILES: COc1cc(CNC(=S)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc(OC)c1OC

InChI Key: InChIKey=MKKSXBGNJCUXJM-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 31968   
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
beta-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ)


(Helicobacter pylori (Campylobacter pylori))		BDBM31968
PNG
(trimethoxybenzyl thiourea, 5k)
Show SMILES COc1cc(CNC(=S)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc(OC)c1OC
Show InChI InChI=1S/C19H18F6N2O3S/c1-28-14-4-10(5-15(29-2)16(14)30-3)9-26-17(31)27-13-7-11(18(20,21)22)6-12(8-13)19(23,24)25/h4-8H,9H2,1-3H3,(H2,26,27,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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



Shanghai Institute of Materia Medica



Assay Description
The enzymatic inhibition assay of HpFabZ was monitored by the spectrophotometric method. The activity of HpFabZ was measured by detection of the decr...

J Med Chem 52: 2465-81 (2009)


Article DOI: 10.1021/jm8015602
BindingDB Entry DOI: 10.7270/Q2ZK5F1W
More data for this
Ligand-Target Pair