BindingDB logo
myBDB logout

BDBM50443771 CHEMBL3094103

SMILES: Nc1ccn([C@@H]2O[C@H](CNC(=O)Cc3cn4ccsc4n3)[C@@H](O)[C@H]2O)c(=O)n1

InChI Key: InChIKey=ZGNUDICPTLIEJN-ICGCDAGXSA-N

Data: 1 Kd

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 = 50443771   
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))
BDBM50443771
PNG
(CHEMBL3094103)
Show SMILES Nc1ccn([C@@H]2O[C@H](CNC(=O)Cc3cn4ccsc4n3)[C@@H](O)[C@H]2O)c(=O)n1
Show InChI InChI=1S/C16H18N6O5S/c17-10-1-2-22(15(26)20-10)14-13(25)12(24)9(27-14)6-18-11(23)5-8-7-21-3-4-28-16(21)19-8/h1-4,7,9,12-14,24-25H,5-6H2,(H,18,23)(H2,17,20,26)/t9-,12-,13-,14-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 1.48E+5n/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