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Compile Data Set for Download or QSAR

Found 1 hit of ic50 data for polymerid = 50000166   
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
4-diphosphocytidyl-2-C-methyl-D-erythritol kinase


(Escherichia coli (strain K12))
BDBM50488597
PNG
(CHEMBL2289488)
Show SMILES OC(=O)C(F)(F)F.Nc1ccn([C@@H]2O[C@H](CNC(=O)CCc3nc4ccccc4[nH]3)[C@@H](O)[C@H]2O)c(=O)n1
Show InChI InChI=1S/C19H22N6O5.C2HF3O2/c20-13-7-8-25(19(29)24-13)18-17(28)16(27)12(30-18)9-21-15(26)6-5-14-22-10-3-1-2-4-11(10)23-14;3-2(4,5)1(6)7/h1-4,7-8,12,16-18,27-28H,5-6,9H2,(H,21,26)(H,22,23)(H2,20,24,29);(H,6,7)/t12-,16-,17-,18-;/m1./s1
PDB
MMDB

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PC cid
PC sid
UniChem
PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a



BASF-SE

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli IspE by spectrophotometric analysis


Pest Manag Sci 69: 559-63 (2013)

More data for this
Ligand-Target Pair