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BDBM50443770 CHEMBL3094104

SMILES: Nc1ccn([C@@H]2O[C@H](CNC(=O)c3cn4ccsc4n3)[C@@H](O)[C@H]2O)c(=O)n1

InChI Key: InChIKey=CNDLQBMTBSBAHK-UORFTKCHSA-N

Data: 1 Kd

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50443770   
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
2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase


(Burkholderia pseudomallei (strain K96243))
BDBM50443770
PNG
(CHEMBL3094104)
Show SMILES Nc1ccn([C@@H]2O[C@H](CNC(=O)c3cn4ccsc4n3)[C@@H](O)[C@H]2O)c(=O)n1
Show InChI InChI=1S/C15H16N6O5S/c16-9-1-2-21(14(25)19-9)13-11(23)10(22)8(26-13)5-17-12(24)7-6-20-3-4-27-15(20)18-7/h1-4,6,8,10-11,13,22-23H,5H2,(H,17,24)(H2,16,19,25)/t8-,10-,11-,13-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 7.00E+4n/an/an/an/an/a



Northern Illinois University

Curated by ChEMBL


Assay Description
Binding affinity to Burkolderia pseudomallei IspF by surface plasmon resonance method


Bioorg Med Chem Lett 23: 6860-3 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.101
BindingDB Entry DOI: 10.7270/Q2NC62NX
More data for this
Ligand-Target Pair