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Compile Data Set for Download or QSAR

Found 1 hit of ic50 for UniProtKB: P38489   
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
Oxygen-insensitive NAD(P)H nitroreductase


(Escherichia coli K-12)		BDBM50505033
PNG
(CHEMBL4518887)
Show SMILES [O-][N+](=O)c1ccc2CNP(=O)(Oc2c1)N(CCCl)CCCl
Show InChI InChI=1S/C11H14Cl2N3O4P/c12-3-5-15(6-4-13)21(19)14-8-9-1-2-10(16(17)18)7-11(9)20-21/h1-2,7H,3-6,8H2,(H,14,19)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.80E+4n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli nitroreductase expressed in human HCT116 cells

J Med Chem 62: 2851-2893 (2019)


Article DOI: 10.1021/acs.jmedchem.8b00147
BindingDB Entry DOI: 10.7270/Q2ZP49CC
More data for this
Ligand-Target Pair